"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.011","C.012","C.013","C.014","C.015","C.016","C.017","C.018","C.019","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.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_DN","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_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_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_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","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_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.086","Cl.089","Cl.090","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr04","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr11","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.dm.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.dm.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.dm.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.081","F.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","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","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","N.079","n135.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCN","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArNH2","nArNHR","nArNO2","nArNR2","nArOH","nArOR","nArX","nAT","nAzetidines","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCH2RX","nCHRX2","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nCXr","nDB","NdCH2","NddsN","NddssS","NdO","NdS","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nIsoxazoles","nN","nN.","nN.C.N.","nN.CO.2","nNq","NNRS","nO","nOHp","nOHs","nOHt","nOxazoles","nOxetanes","nOxolanes","nPyrazines","nPyrazoles","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR04","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nRSSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","NssssN.","nTB","nThiazoles","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_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_1d","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","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","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsNH2","SsOH","SssCH2","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","SssssN.","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 1.354,2 6.36,3 5.223,4 27.279,5 102.112,6 8.211,7 0.821,8 3.83,9 3.934,10 3.503,11 3.522,12 4.951,13 3.477,14 4.308,15 4.441,16 3.871,17 3.919,18 5.36,19 3.855,20 4.582,21 4.759,22 4.022,23 4.105,24 5.524,25 4.014,26 4.719,27 4.885,28 4.248,29 4.264,30 5.743,31 4.191,32 4.911,33 5.063,34 4.42,35 4.472,36 6.026,37 4.382,38 5.098,39 5.307,40 4.273,41 4.471,42 6.138,43 4.315,44 4.892,45 5.176,46 3.508,47 4.028,48 5.738,49 3.786,50 4.221,51 4.577,52 2.022,53 3.091,54 4.822,55 2.737,56 0.021,57 0.511,58 6.907,59 3.392,60 7.5,61 4.547,62 0.092,63 0.865,64 12.381,65 5.536,66 13.212,67 7.352,68 0.099,69 1.1,70 20.273,71 8.388,72 20.873,73 11.306,74 0.187,75 1.275,76 24.323,77 9.167,78 20.009,79 12.12,80 0.138,81 1.526,82 26.756,83 11.048,84 29.016,85 14.632,86 0.301,87 1.831,88 42.268,89 15.022,90 55.198,91 19.944,92 0.248,93 1.54,94 38.508,95 13.782,96 48.784,97 18.796,98 0.146,99 0.808,100 21.801,101 7.815,102 26.215,103 10.928,104 2,105 39,106 0.233,107 0.405,108 0.555,109 0.684,110 0.756,111 0.771,112 3.27,113 0.917,114 -6.15,115 -6,116 -5.58,119 52.4,129 1,138 14,139 3,140 1,141 1,147 1,153 1,163 16,165 1,166 3,172 21,176 5,183 20,187 10,194 23,198 8,205 30,209 7,217 26,221 3,227 14,238 3,252 975,253 17.514,254 17.514,255 17.514,256 17.514,257 17.514,258 14.74,259 13.656,260 10.653,261 17.794,262 13.836,263 13.836,264 13.836,265 13.836,266 13.836,267 9.998,268 17.362,269 4.97,270 14.342,271 4.038,272 3.037,273 2.165,274 1.41,275 0.991,276 0.905,277 3.966,279 1,282 1,283 1,284 345,285 2.915,287 68.876,288 246.033,295 0.854,296 9.904,299 0.75,300 0.83,301 1,302 0.6,304 1,305 1,306 0.74,307 51.333,308 159,309 4.968,310 4.293,311 8.485,312 4.789,313 3.815,314 4.398,315 1.811,316 17.293,317 3.715,318 3.984,319 2.991,320 6.066,321 3.508,322 2.576,323 3.58,325 8.155,326 2.379,327 3.752,328 2.361,329 5.586,330 3.278,331 2.295,332 3.319,334 6.653,335 2.278,336 3.736,337 2.351,338 5.58,339 3.237,340 2.278,341 3.298,343 6.623,344 2.154,345 3.224,346 1.948,347 4.603,348 2.756,349 1.785,350 2.519,352 4.315,353 1.725,354 2.865,355 1.636,356 4,357 2.361,358 1.414,359 2.026,361 3.229,362 1.328,363 2.781,364 1.38,365 3.669,366 2.317,367 1.317,368 1.908,370 2.927,371 1.317,372 2.751,373 1.378,374 3.615,375 2.283,376 1.3,377 1.861,379 2.901,380 1.219,381 2.543,382 1.14,383 3.593,384 2.035,385 1.092,386 1.562,388 2.508,389 1.027,390 2.5,391 1,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.5,400 1,401 3.247,402 2,403 1,404 1.5,406 2.136,407 1,408 2.118,409 0.623,410 3.222,411 1.554,412 0.618,413 0.927,415 1.372,416 0.577,417 1.901,418 0.618,419 3,420 1.448,421 0.491,422 0.679,424 1.27,425 0.463,426 1.031,427 0.269,428 2.817,429 0.563,430 -0.272,431 -0.335,433 -0.611,434 -0.181,435 0.719,436 -0.529,437 2.703,438 0.295,439 -0.705,440 -0.952,442 -1.571,443 -0.705,444 12.514,445 0.501,446 0.427,447 0.017,448 37.5,449 1.5,450 22,451 0.88,452 15.5,453 0.62,454 17.524,455 0.701,456 24.086,457 0.573,458 27.584,459 1.103,460 7.611,461 0.304,462 4.721,463 0.189,464 0.057,465 0.04,466 0.192,472 0.665,473 1.091,474 0.596,475 0.838,476 0.7,477 0.807,478 0.898,479 1.021,480 0.759,481 0.892,482 0.879,483 0.917,484 0.862,485 1.002,486 0.825,487 0.897,488 0.831,489 0.886,490 1.08,491 0.932,492 0.905,493 0.83,494 0.785,495 0.801,496 1.08,497 1.089,498 0.967,499 0.987,500 0.838,501 0.996,502 1.285,503 1.105,504 1.36,505 1.225,506 1.355,507 1.217,508 1.071,509 1.018,510 1.222,511 1.18,512 1.309,513 1.19,514 0.737,515 0.764,516 0.923,517 0.947,518 1.005,519 0.973,520 3.5,522 3.111,523 2.778,524 1.443,525 0.494,526 0.541,527 0.246,530 5679,531 14775,532 2.169,533 40.5,535 14,536 1,537 2,542 1.698,543 2.098,544 2.608,545 -0.869,550 56.883,551 1.354,552 2.356,553 3.228,554 3.982,555 4.402,556 4.488,557 2.032,558 3.539,559 4.617,560 2.78,561 833.879,562 8.081,563 9898.62,568 226.477,569 1.177,570 4.597,571 0.125,573 0.08,574 0.063,575 0.026,576 0.008,577 0.011,578 0.012,581 0.326,582 0.5,583 0.88,584 0.372,585 114.136,586 0.026,587 -0.109,588 0.031,589 -0.021,590 -0.048,591 0.01,592 -0.006,593 0.007,594 -0.054,595 -0.055,596 -0.159,597 -0.084,598 0.007,599 -0.034,600 0.049,601 0.034,602 -0.025,603 0.045,604 0.035,605 0.078,606 0.053,607 0.084,608 0.103,609 0.098,610 -0.078,611 -0.109,612 -0.049,613 -0.085,614 0.088,615 -0.109,616 -0.102,617 -0.145,618 -0.2,619 -0.226,620 -0.129,621 -0.236,622 -0.087,623 -0.064,624 -0.112,625 -0.1,626 -0.159,627 -0.098,628 0.05,629 0.192,630 0.136,631 0.218,632 0.026,633 0.234,634 1.836,635 2.58,636 0.92,637 15.92,638 0.99,639 1.101,640 4.925,641 24.255,642 0.737,643 3.367,644 3.689,645 4.078,646 4.443,647 4.673,648 4.71,649 4.804,650 4.771,651 4.554,652 4.205,653 4.448,654 0.692,655 344.86,656 3.367,657 4.905,658 5.796,659 6.713,660 7.64,661 8.576,662 9.516,663 10.46,664 11.404,665 12.351,666 4.8,674 1,676 1,681 17,682 1,686 4,687 1,688 23,702 1,703 42,705 23,706 3,707 28,709 45,710 22,711 21,712 4,713 14,717 4,718 4,719 1,729 21,730 1,731 1,747 17,748 1,750 3,751 1,753 1,755 2,760 1,775 1,776 3,796 4,802 1,805 25,816 1,824 1,832 11.917,833 7.46,834 5.611,835 2.436,836 2.356,837 1.346,838 1.012,839 4.227,840 9.173,841 3.701,842 4.301,843 4.932,844 5.575,845 6.098,846 6.342,847 6.808,848 7.17,849 7.346,850 7.403,851 1,852 44,853 9.184,854 3.907,855 7.541,856 17.791,857 14.796,859 2.041,860 51.028,864 200.109,865 172.438,866 18.685,867 39.149,871 172.438,872 239.257,873 18.685,876 141.715,877 48.946,878 24.004,879 11.771,880 164.795,881 39.149,882 200.109,883 191.123,885 39.149,887 200.109,891 19.565,892 154.772,893 55.934,895 200.109,896 18.685,897 211.587,900 200.109,901 13.057,902 161.28,904 55.934,905 200.109,906 18.685,907 211.587,909 0.567,910 0.357,911 0.229,912 0.132,913 20,914 7,915 0.089,916 4,918 1,919 3.469,920 231.64,922 23,923 96.096,928 15.829,929 6.676,930 2.602,932 16.786,933 34.474,934 4.314,938 4.01,939 2.124,941 430.38,942 39.5,952 41.596,953 46.262,954 0.251,955 0.437,956 0.599,957 0.739,958 0.816,959 0.832,960 4.911,961 1.3,962 5.79,963 2.927,964 4.369,965 4.987,966 1.688,967 6.753,968 4.3,969 6.122,970 1.092,971 7.438,972 2.901,973 4.007,974 4.527,975 1.827,976 8.37,977 3.871,978 7.44,979 1,980 9.241,981 2.508,982 6.094,983 7.168,984 2.503,985 11.644,986 5.968,987 8.815,988 1,989 11.154,990 2.136,991 6.781,992 7.655,993 3.003,994 14.217,995 6.607,996 10.24,997 0.618,998 13.141,999 2.136,1000 8.318,1001 9.65,1002 3.596,1003 17.152,1004 8.143,1005 11.705,1006 0.491,1007 15.179,1008 1.372,1009 9.435,1010 10.605,1011 4.169,1012 19.944,1013 9.225,1014 13.2,1015 -0.272,1016 17.249,1017 1.27,1018 10.817,1019 12.315,1020 4.759,1021 22.813,1022 10.594,1023 3.815,1024 -0.705,1025 19.342,1026 -0.611,1027 12.084,1028 13.516,1029 5.348,1030 25.651,1031 11.833,1032 2.576,1033 17.293,1034 21.45,1035 -1.571,1036 13.429,1037 15.094,1038 5.94,1039 28.506,1040 13.158,1041 2.295,1042 8.155,1043 23.567,1044 4.398,1045 14.744,1046 16.427,1047 6.532,1048 31.353,1049 14.447,1050 2.278,1051 6.653,1052 25.691,1053 3.58,1054 16.082,1055 17.945,1056 7.125,1057 34.204,1058 15.762,1059 1.785,1060 6.623,1061 27.819,1062 3.319,1063 17.413,1064 19.348,1065 7.718,1066 37.054,1067 17.067,1068 1.414,1069 4.315,1070 29.951,1071 3.298,1072 18.751,1073 20.84,1074 8.312,1075 39.905,1076 18.379,1077 1.317,1078 3.229,1079 32.085,1080 2.519,1081 20.087,1082 22.28,1083 8.906,1084 42.755,1085 19.689,1086 5447,1087 8878,1088 19.356,1089 30.961,1090 42.564,1091 41.977,1092 43.46,1093 42.155,1094 41.964,1095 58.153,1096 3.621,1097 123.037,1098 40.367,1099 5.741,1100 6.293,1101 8.287,1102 5.847,1103 5.815,1104 7.398,1105 2.491,1106 25.633,1107 5.715,1108 5.876,1109 1.52,1110 1.499,1111 1.552,1112 1.506,1113 1.499,1114 2.077,1115 0.129,1116 4.394,1117 1.442,1118 4.104,1119 4.136,1120 4.109,1121 4.035,1122 5.014,1123 4.035,1124 3.813,1125 3.841,1126 3.869,1127 3.765,1128 4.888,1129 3.754,1130 3.808,1131 3.841,1132 3.729,1133 3.753,1134 4.751,1135 3.743,1136 3.784,1137 3.84,1138 3.721,1139 3.604,1140 4.688,1141 3.628,1142 3.119,1143 3.161,1144 3.293,1145 3.04,1146 4.338,1147 3.034,1148 2.879,1149 2.925,1150 3.033,1151 2.799,1152 3.877,1153 2.77,1154 2.854,1155 2.925,1156 2.687,1157 2.735,1158 3.674,1159 2.715,1160 2.854,1161 2.922,1162 2.687,1163 2.735,1164 3.674,1165 2.715,1166 0.177,1167 0.153,1168 0.303,1169 0.171,1170 0.136,1171 4.968,1172 0.157,1173 4.293,1174 0.065,1175 8.485,1176 0.618,1177 4.789,1178 0.133,1179 3.815,1180 4.398,1181 1.811,1182 17.293,1183 3.715,1184 2.036,1185 2.015,1186 2.114,1187 2.105,1188 1.32,1189 2.11,1190 1.824,1191 1.794,1192 1.961,1193 1.905,1194 1.01,1195 1.926,1196 1.82,1197 1.794,1198 1.934,1199 1.893,1200 1.007,1201 1.913,1202 1.453,1203 1.397,1204 1.6,1205 1.655,1206 0.7,1207 1.642,1208 1.288,1209 1.222,1210 1.45,1211 1.523,1212 0.43,1213 1.508,1214 0.991,1215 0.939,1216 1.192,1217 1.133,1218 0.243,1219 1.158,1220 0.886,1221 0.824,1222 1.181,1223 1.062,1224 0.218,1225 1.107,1226 0.886,1227 0.821,1228 1.181,1229 1.062,1230 0.218,1231 1.107,1232 4.043,1233 5.361,1234 2.398,1235 6.925,1236 4.443,1237 8.611,1238 6.326,1239 10.37,1242 6.691,1253 -0.586,1257 29.085,1258 56.883,1259 98.933,1260 135.565,1261 167.258,1262 184.868,1263 188.477,1264 32.52,1265 6.817,1266 17.82,1267 17.82,1268 23,1269 12.843,1270 4.585,1271 3.644,1272 35.123,1273 59,1274 70,1275 0.271,1276 181.948,1277 304.29,1278 435.714,1279 5825,1280 2.4,1281 17.115,1282 0.685,1283 0.574,1284 17.615,1285 14.343,1286 12.331,1287 0.44,1288 0.306,1289 8.165,1290 11.874,1291 7.944,1292 6.601,1293 12.62,1294 8.555,1295 10.519,1296 0.27,1297 0.162,1298 10.89,1299 6.299,1300 9.441,1301 0.163,1302 0.084,1303 9.786,1304 4.868,1305 8.598,1306 0.102,1307 0.045,1308 8.928,1309 3.758,1310 7.04,1311 0.066,1312 0.025,1313 7.375,1314 2.644,1315 0.389,1316 78.216,1317 0.227,1318 22.954,1319 0.89,1320 134,1321 317.494,1322 153.71,1323 353.129,1324 490.48,1325 332,1326 164,1327 350.497,1328 180.9,1329 371.982,1330 550.26,1331 352,1332 5.796}
{0 CHEMBL104474,1 1.385,2 15.615,3 5.898,4 34.785,5 157.082,6 6.789,7 0.512,8 4.413,9 4.54,10 3.913,11 3.965,12 5.421,13 3.922,14 4.979,15 5.165,16 4.236,17 4.364,18 5.926,19 4.29,20 5.27,21 5.504,22 4.286,23 4.532,24 6.077,25 4.416,26 5.411,27 5.663,28 4.261,29 4.551,30 6.249,31 4.422,32 5.424,33 5.681,34 4.284,35 4.554,36 6.293,37 4.426,38 5.43,39 5.687,40 4.3,41 4.587,42 6.3,43 4.458,44 5.413,45 5.673,46 4.3,47 4.636,48 6.215,49 4.493,50 5.45,51 5.716,52 4.24,53 4.652,54 6.224,55 4.489,56 0.06,57 1.093,58 17.305,59 7.292,60 12.235,61 10.121,62 0.484,63 1.828,64 32.403,65 11.806,66 37.765,67 16.948,68 0.296,69 2.303,70 43.893,71 16.456,72 33.768,73 23.809,74 0.548,75 2.493,76 52.257,77 18.283,78 59.514,79 26.069,80 0.534,81 2.479,82 53.042,83 19.005,84 72.614,85 26.898,86 0.662,87 2.545,88 53.442,89 18.728,90 75.573,91 26.878,92 0.407,93 2.615,94 51.21,95 19.24,96 50.815,97 28.123,98 0.41,99 2.64,100 53.294,101 20.518,102 53.966,103 29.743,104 7,105 57,106 0.211,107 0.501,108 0.684,109 0.791,110 0.845,111 0.857,112 3.693,113 0.974,114 -5.4,115 -5.28,116 -4.93,119 42.9,121 3,122 1,125 6,127 1,133 1,134 1,138 14,139 2,142 1,148 1,152 1,153 1,163 18,165 4,166 10,172 18,176 10,183 11,186 1,187 16,194 8,197 1,198 13,205 9,208 2,209 11,217 12,220 1,221 10,227 19,231 7,238 20,241 1,242 9,249 15,252 3192,253 27.198,254 27.198,255 27.198,256 27.198,257 27.198,258 24.303,259 29.976,260 16.625,261 27.681,262 21.239,263 21.239,264 21.239,265 21.239,266 21.239,267 17.005,268 38.786,269 7.841,270 22.01,271 4.882,272 2.981,273 1.787,274 1.085,275 0.727,276 0.649,277 4.402,284 1334,285 4.416,287 106.883,288 595.696,291 198.423,295 2.331,296 25.092,299 0.5,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.6,307 82,308 609,309 4.53,310 3.806,311 6.543,312 4.041,313 3.088,314 4.474,315 2.226,316 10.343,317 2.949,318 4.091,319 3.187,320 6.447,321 3.927,322 2.989,323 3.55,324 0.908,325 9.928,326 2.801,327 4.068,328 2.987,329 6.133,330 3.8,331 2.808,332 3.451,333 0.8,334 9.025,335 2.778,336 3.887,337 2.907,338 5.392,339 3.516,340 2.538,341 3.197,342 0.648,343 7.065,344 2.492,345 3.541,346 2.77,347 5.334,348 3.395,349 2.454,350 2.782,351 0.077,352 6.941,353 2.291,354 3.427,355 2.593,356 5.131,357 3.012,358 2.046,359 2.57,361 6.023,362 1.977,363 3.167,364 2.114,365 4.98,366 2.913,367 1.957,368 2.328,370 5.59,371 1.853,372 3.075,373 1.86,374 4.451,375 2.721,376 1.742,377 2.315,379 4.429,380 1.698,381 3.045,382 1.774,383 4.14,384 2.515,385 1.546,386 2.16,388 3.705,389 1.497,390 2.905,391 1.743,392 3.969,393 2.503,394 1.522,395 2.037,397 3.362,398 1.491,399 2.773,400 1.546,401 3.601,402 2.372,403 1.386,404 1.728,406 2.982,407 1.359,408 2.656,409 1.259,410 3.586,411 2.202,412 1.213,413 1.703,415 2.804,416 1.199,417 2.5,418 1.251,419 3.506,420 2.098,421 1.122,422 1.5,424 2.649,425 1.092,426 2.5,427 1.172,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.474,436 1.077,437 3.247,438 2,439 1,440 1.461,442 2.136,443 1,444 18.767,445 0.481,446 0.636,447 0.016,448 47.5,449 1.218,450 22.5,451 0.577,452 25,453 0.641,454 38.366,455 0.984,456 41.833,457 0.543,458 38.163,459 0.979,460 9.505,461 0.244,462 9.703,463 0.249,464 0.044,466 0.25,472 0.79,473 1.409,474 0.864,475 1.162,476 0.63,477 1.041,478 0.959,479 1.096,480 1.053,481 1.009,482 0.607,483 1.026,484 0.912,485 1.155,486 1.016,487 1.103,488 0.682,489 1.067,490 1.498,491 0.994,492 1.109,493 1.002,494 1.375,495 1.014,496 1.438,497 0.98,498 1.004,499 0.96,500 1.37,501 0.949,502 1.416,503 0.941,504 1.039,505 0.885,506 1.56,507 0.924,508 0.776,509 0.993,510 0.991,511 0.987,512 0.769,513 1,514 0.807,515 0.971,516 1.019,517 1,518 0.794,519 1.024,520 5.5,521 0.211,522 4,523 1.917,524 1.302,525 1.129,526 0.798,527 0.446,528 0.291,529 0.288,530 27546,531 61304,532 2.142,533 49.4,535 30,537 1,540 3,541 4,542 1.794,543 2.071,544 3.872,545 -0.84,550 106.656,551 1.385,552 3.286,553 4.48,554 5.182,555 5.54,556 5.617,557 3.341,558 4.978,559 5.257,560 4.097,561 3036.08,562 9.268,563 54190.4,568 482.543,569 1.09,570 5.245,571 0.128,572 0.006,573 0.07,574 0.033,575 0.024,576 0.02,577 0.014,578 0.008,579 0.005,580 0.006,581 0.314,582 0.33,583 0.63,584 0.626,585 221.663,586 0.039,587 -0.228,588 0.076,589 -0.085,590 0.013,591 -0.017,592 0.182,593 0.05,594 -0.064,595 -0.015,596 0.095,597 -0.056,598 -0.023,599 -0.111,600 -0.041,601 -0.11,602 0.006,603 -0.079,604 -0.122,605 -0.002,606 -0.086,607 -0.043,608 -0.083,609 -0.057,610 -0.067,611 -0.022,612 0.017,613 0.009,614 0.021,615 0.018,616 -0.074,617 0.042,618 -0.018,619 0.077,620 -0.095,621 0.037,622 -0.027,623 0.021,624 -0.021,625 -0.003,626 -0.015,627 -0.009,628 -0.064,629 0.007,630 -0.052,631 -0.006,632 -0.063,633 -0.024,634 1.922,635 5.939,636 0.692,637 49.893,638 0.988,639 1.123,640 4.169,641 17.38,642 0.661,643 3.784,644 4.06,645 4.331,646 4.564,647 4.754,648 4.754,649 4.913,650 5.024,651 5.063,652 5.17,653 9.167,654 0.617,655 522.75,656 3.784,657 5.303,658 6.142,659 6.997,660 7.85,661 8.711,662 9.571,663 10.436,664 11.299,665 12.166,666 5.2,669 1,673 1,674 1,676 1,680 2,681 15,682 1,686 2,687 1,688 22,703 77,705 24,706 3,707 43,709 81,710 33,711 19,712 4,713 14,717 5,718 6,724 3,727 4,729 22,730 11,731 1,733 2,734 1,737 1,739 1,741 1,747 38,748 5,750 6,753 1,755 4,760 0.8,761 2,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,805 39,810 9,812 1,814 2,815 2,825 2.6,828 1,830 1,832 18.833,833 13.383,834 8.806,835 4.76,836 2.687,837 1.333,838 0.979,839 9.473,840 10.763,841 4.043,842 4.557,843 5.085,844 5.603,845 6.046,846 6.114,847 6.475,848 6.815,849 6.859,850 7.158,851 1,852 58,853 14.473,854 6.047,855 7.526,856 28.456,857 23.597,859 2.026,860 79,864 447.302,865 206.676,866 24.933,868 36.145,871 206.676,872 483.447,873 24.933,875 41.616,876 142.144,877 62.32,878 24.539,879 8.907,880 435.531,882 447.302,883 231.609,884 36.145,887 364.904,888 118.543,891 41.635,892 163.712,893 26.262,895 447.302,896 61.078,897 206.676,900 447.302,901 40.146,902 158.91,904 68.697,905 447.302,906 61.078,907 206.676,909 0.563,910 0.332,911 0.184,912 0.1,913 25,914 10,915 0.148,916 12,917 1,918 1.074,919 5.052,920 372.413,921 0.074,922 27,923 194.131,928 27.175,929 13.595,930 7.172,931 2.221,932 59.179,933 30.955,934 4.603,938 2.361,939 2.285,941 715.056,942 56,943 3.872,946 12.939,948 1.792,950 -0.256,952 76.083,953 86.47,954 0.221,955 0.524,956 0.715,957 0.827,958 0.884,959 0.896,960 5.255,961 1.742,962 6.084,963 5.59,964 4.745,965 5.244,966 2.553,967 6.847,968 4.673,969 6.406,970 1.546,971 7.606,972 4.429,973 4.111,974 4.771,975 1.905,976 7.662,977 3.98,978 7.67,979 1.522,980 9.233,981 3.705,982 6.282,983 7.333,984 3.622,985 10.762,986 6.128,987 8.969,988 1.386,989 10.925,990 3.362,991 6.553,992 7.804,993 3.668,994 12.471,995 6.33,996 10.307,997 1.213,998 12.661,999 2.982,1000 8.109,1001 9.775,1002 5.031,1003 15.049,1004 7.868,1005 11.671,1006 1.122,1007 14.428,1008 2.804,1009 8.807,1010 10.732,1011 5.399,1012 17.109,1013 8.498,1014 13.057,1015 1,1016 16.216,1017 2.649,1018 10.1,1019 12.439,1020 6.54,1021 19.512,1022 9.768,1023 3.088,1024 1,1025 18.02,1026 2.275,1027 11.007,1028 13.658,1029 7.079,1030 21.717,1031 10.611,1032 2.989,1033 10.343,1034 19.836,1035 2.136,1036 12.185,1037 15.243,1038 8.087,1039 24.06,1040 11.758,1041 2.808,1042 9.928,1043 21.661,1044 4.474,1045 13.193,1046 16.599,1047 8.727,1048 26.324,1049 12.706,1050 2.538,1051 9.025,1052 23.494,1053 3.55,1054 14.323,1055 18.129,1056 9.654,1057 28.647,1058 13.799,1059 2.454,1060 7.065,1061 25.332,1062 3.451,1063 15.379,1064 19.555,1065 10.356,1066 30.939,1067 14.799,1068 2.046,1069 6.941,1070 27.175,1071 3.197,1072 16.491,1073 21.063,1074 11.234,1075 33.255,1076 15.869,1077 1.957,1078 6.023,1079 29.022,1080 2.782,1081 17.572,1082 22.524,1083 11.973,1084 35.56,1085 16.896,1086 25631,1087 38367,1088 29.701,1089 50.876,1090 63.899,1091 64.227,1092 64.325,1093 63.166,1094 63.127,1095 80.807,1096 9.316,1097 172.184,1098 60.98,1099 5.53,1100 5.806,1101 6.345,1102 5.116,1103 5.088,1104 7.474,1105 3.974,1106 17.134,1107 4.949,1108 12.279,1109 1.486,1110 1.494,1111 1.496,1112 1.469,1113 1.468,1114 1.879,1115 0.217,1116 4.004,1117 1.418,1118 4.125,1119 4.17,1120 4.082,1121 4.005,1122 7.433,1123 4.017,1124 3.954,1125 4,1126 3.874,1127 3.869,1128 5.04,1129 3.864,1130 3.905,1131 3.935,1132 3.832,1133 3.843,1134 4.782,1135 3.836,1136 3.864,1137 3.911,1138 3.768,1139 3.726,1140 4.744,1141 3.728,1142 3.642,1143 3.702,1144 3.535,1145 3.482,1146 4.709,1147 3.48,1148 3.529,1149 3.589,1150 3.401,1151 3.405,1152 4.381,1153 3.393,1154 3.389,1155 3.448,1156 3.271,1157 3.209,1158 4.345,1159 3.216,1160 3.345,1161 3.379,1162 3.229,1163 3.111,1164 4.305,1165 3.142,1166 0.105,1167 0.089,1168 0.152,1169 0.094,1170 0.072,1171 4.53,1172 0.104,1173 3.806,1174 0.052,1175 6.543,1176 0.241,1177 4.041,1178 0.069,1179 3.088,1180 4.474,1181 2.226,1182 10.343,1183 2.949,1184 1.966,1185 1.934,1186 2.101,1187 2.084,1188 1.446,1189 2.091,1190 1.905,1191 1.877,1192 2.041,1193 2.035,1194 1.351,1195 2.038,1196 1.898,1197 1.87,1198 2.029,1199 1.99,1200 1.133,1201 2.004,1202 1.847,1203 1.789,1204 2.002,1205 1.974,1206 1.112,1207 1.987,1208 1.627,1209 1.569,1210 1.839,1211 1.814,1212 1.002,1213 1.822,1214 1.562,1215 1.501,1216 1.789,1217 1.755,1218 0.906,1219 1.761,1220 1.379,1221 1.307,1222 1.596,1223 1.602,1224 0.825,1225 1.614,1226 1.253,1227 1.22,1228 1.513,1229 1.531,1230 0.803,1231 1.508,1232 4.466,1233 5.753,1234 2.398,1235 7.236,1236 4.727,1237 8.805,1238 6.823,1239 10.416,1247 7.621,1249 5.649,1251 0.566,1252 4.393,1257 47.471,1258 106.656,1259 252.987,1260 344.975,1261 399.033,1262 426.543,1263 432.543,1264 66.494,1265 8.076,1266 50.6,1267 50.6,1268 29,1269 12.712,1270 4.644,1271 3.807,1272 61.548,1273 218,1274 219,1275 0.134,1276 290.392,1277 503.96,1278 700.316,1279 40789,1281 26.865,1282 0.689,1283 0.579,1284 26.865,1285 22.569,1286 19.208,1287 0.447,1288 0.325,1289 13.815,1290 18.657,1291 13.52,1292 11.206,1293 19.208,1294 13.964,1295 16.309,1296 0.286,1297 0.181,1298 16.309,1299 10.336,1300 13.954,1301 0.186,1302 0.104,1303 13.954,1304 7.773,1305 11.552,1306 0.122,1307 0.059,1308 11.552,1309 5.589,1310 9.364,1311 0.081,1312 0.035,1313 9.364,1314 3.986,1315 0.216,1316 118.912,1317 0.183,1318 35.765,1319 0.351,1320 200,1321 492.052,1322 215.109,1323 480.828,1324 665.23,1325 454,1326 232,1327 490.006,1328 248.333,1329 499.66,1330 727.93,1331 470,1332 6}
{0 CHEMBL104698,1 1.454,2 18.313,3 6.106,4 37.286,5 187.832,6 6.967,7 0.415,8 4.609,9 4.735,10 4.121,11 4.147,12 5.646,13 4.113,14 5.184,15 5.364,16 4.493,17 4.574,18 6.182,19 4.511,20 5.495,21 5.711,22 4.575,23 4.764,24 6.411,25 4.666,26 5.674,27 5.917,28 4.564,29 4.804,30 6.638,31 4.69,32 5.692,33 5.942,34 4.637,35 4.812,36 6.651,37 4.709,38 5.716,39 5.954,40 4.651,41 4.826,42 6.751,43 4.73,44 5.697,45 5.948,46 4.604,47 4.838,48 6.677,49 4.72,50 5.695,51 5.958,52 4.522,53 4.832,54 6.588,55 4.696,56 0.052,57 1.341,58 20.49,59 8.705,60 14.108,61 11.901,62 0.639,63 2.238,64 39.085,65 14.596,66 50.677,67 20.669,68 0.399,69 2.86,70 54.458,71 20.449,72 57.168,73 28.999,74 0.886,75 3.183,76 68.43,77 23.225,78 137.767,79 32.861,80 0.707,81 3.225,82 69.614,83 24.021,84 110.207,85 34.07,86 1.065,87 3.305,88 71.95,89 23.279,90 149.151,91 32.866,92 0.861,93 3.291,94 69.761,95 24.083,96 125.81,97 34.569,98 0.689,99 3.228,100 69.744,101 24.887,102 110.035,103 35.696,104 28,105 74,106 0.213,107 0.535,108 0.731,109 0.816,110 0.86,111 0.869,112 3.895,113 0.955,114 -4.49,115 -4.42,116 -4.16,119 41.9,120 1,121 4,123 1,125 6,127 2,133 1,134 1,138 14,139 4,147 1,148 1,151 1,152 2,163 22,165 5,166 8,169 2,171 4,172 24,176 9,179 1,181 4,183 17,186 2,187 19,192 3,194 12,197 1,198 20,202 1,203 4,205 8,208 2,209 16,212 2,214 4,217 11,220 2,221 16,224 2,226 3,227 17,231 12,236 2,238 21,241 1,242 12,247 5,249 19,252 6106,253 32.791,254 32.791,255 32.791,256 32.791,257 32.791,258 29.675,259 37.518,260 19.509,261 33.283,262 26.113,263 26.113,264 26.113,265 26.113,266 26.113,267 21.402,268 47.936,269 9.163,270 26.86,271 5.085,272 2.889,273 1.552,274 0.971,275 0.675,276 0.61,277 4.602,283 1,284 1927,285 5.05,287 295.174,288 754.986,291 250.443,295 2.685,296 48.151,299 0.75,300 0.33,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.62,307 102.5,308 879,309 4.561,310 4.03,311 7.489,312 4.459,313 3.467,314 4.474,315 2.226,316 13.309,317 3.442,318 4.526,319 3.806,320 6.65,321 4.119,322 3.138,323 3.831,324 2.035,325 10.589,326 3.075,327 4.25,328 3.626,329 6.513,330 3.985,331 3.007,332 3.486,333 1.597,334 10.179,335 2.929,336 4.089,337 3.332,338 6.447,339 3.926,340 2.988,341 3.451,342 0.908,343 9.928,344 2.796,345 3.887,346 3.13,347 5.49,348 3.516,349 2.54,350 3.197,351 0.8,352 7.07,353 2.492,354 3.551,355 2.92,356 5.397,357 3.396,358 2.456,359 2.803,360 0.648,361 6.945,362 2.291,363 3.479,364 2.772,365 5.337,366 3.164,367 2.18,368 2.753,369 0.495,370 6.868,371 2.14,372 3.42,373 2.594,374 5.078,375 3.04,376 2.044,377 2.543,378 0.077,379 5.687,380 2.034,381 3.265,382 2.356,383 5.026,384 2.896,385 1.939,386 2.398,388 5.589,389 1.846,390 3.118,391 2.098,392 4.96,393 2.842,394 1.828,395 2.318,397 5.393,398 1.833,399 3.046,400 1.899,401 4.63,402 2.529,403 1.557,404 2.167,406 4.483,407 1.506,408 2.905,409 1.845,410 4.169,411 2.515,412 1.544,413 2.038,415 3.72,416 1.494,417 2.791,418 1.743,419 3.974,420 2.502,421 1.523,422 1.834,424 3.367,425 1.487,426 2.773,427 1.686,428 3.695,429 2.372,430 1.387,431 1.723,433 2.984,434 1.359,435 2.651,436 1.546,437 3.673,438 2.226,439 1.228,440 1.689,442 2.814,443 1.225,444 22.833,445 0.476,446 1.089,447 0.023,448 56.5,449 1.177,450 25.5,451 0.531,452 31,453 0.646,454 54.371,455 1.133,456 52.167,457 0.561,458 52.313,459 1.09,460 11.232,461 0.234,462 12.109,463 0.252,464 0.088,465 0.022,466 0.272,472 0.737,473 1.381,474 0.842,475 1.142,476 0.564,477 1.021,478 0.688,479 1.072,480 0.953,481 0.994,482 0.524,483 0.998,484 0.868,485 1.196,486 1.026,487 1.167,488 0.781,489 1.118,490 1.312,491 1,492 1.106,493 0.999,494 1.192,495 1.019,496 1.183,497 1.021,498 0.934,499 0.973,500 1.046,501 0.931,502 1.524,503 0.999,504 1.101,505 0.935,506 1.62,507 0.961,508 1.069,509 0.982,510 1.013,511 0.974,512 1.24,513 0.982,514 1.011,515 0.915,516 0.976,517 0.932,518 1.066,519 0.945,520 9,521 0.383,522 6.222,523 3.806,524 2.239,525 2.067,526 1.298,527 0.941,528 0.625,529 0.548,530 47639,531 111925,532 2.107,533 48.4,534 3,535 31,536 1,538 2,540 4,541 4,542 1.843,543 1.993,544 4.067,545 0.044,550 135.268,551 1.454,552 3.65,553 4.987,554 5.569,555 5.864,556 5.929,557 3.569,558 5.236,559 5.553,560 4.309,561 4860.14,562 9.87,563 99538.1,568 608.142,569 1.406,570 5.522,571 0.17,572 0.006,573 0.084,574 0.049,575 0.031,576 0.026,577 0.016,578 0.012,579 0.009,580 0.008,581 0.412,582 0.17,583 0.63,584 0.689,585 288.904,586 -0.011,587 -0.167,588 0.061,589 -0.049,590 -0.021,591 0.004,592 0.226,593 0.084,594 0.001,595 0.025,596 0.082,597 -0.012,598 -0.009,599 -0.137,600 -0.067,601 -0.153,602 -0.009,603 -0.12,604 -0.089,605 -0.007,606 -0.089,607 -0.033,608 -0.029,609 -0.055,610 -0.026,611 -0.05,612 0.079,613 -0.003,614 0.031,615 0.043,616 -0.107,617 -0.002,618 -0.061,619 0.013,620 -0.093,621 -0.016,622 -0.006,623 0.013,624 -0.01,625 -0.004,626 -0.014,627 -0.007,628 -0.072,629 0.047,630 0.015,631 0.05,632 -0.04,633 0.047,634 2.005,635 6.701,636 0.667,637 75.66,638 0.995,639 1.125,640 3.258,641 10.616,642 0.657,643 3.989,644 4.317,645 4.605,646 4.852,647 5.05,648 5.075,649 5.247,650 5.389,651 5.468,652 5.583,653 10.419,654 0.618,655 647.89,656 3.989,657 5.541,658 6.399,659 7.28,660 8.155,661 9.042,662 9.925,663 10.815,664 11.703,665 12.596,666 5.4,669 1,673 3,674 1,680 2,681 15,683 1,686 3,688 22,703 93,705 26,706 3,707 53,709 98,710 39,711 20,712 4,713 14,717 6,718 7,720 1,721 1,722 1,724 4,727 6,729 25,730 14,733 4,734 1,737 3,739 1,741 3,747 45,748 8,749 2,750 9,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,787 1,788 1,792 1,793 1,796 5,801 1,805 48,810 10,811 1,812 1,814 2,815 3,816 1,825 4.3,828 3,830 1,832 24.083,833 16.517,834 10.611,835 5.668,836 2.665,837 1.303,838 0.973,839 10.878,840 11.465,841 4.234,842 4.756,843 5.266,844 5.758,845 6.182,846 6.257,847 6.601,848 6.903,849 6.92,850 7.156,851 1,852 77,853 17.951,854 7.772,855 7.682,856 34.641,857 29.208,859 2.182,860 104.75,864 506.157,865 231.059,866 44.169,868 86.435,871 231.059,872 592.592,873 44.169,874 8.825,875 65.285,876 151.191,877 80.139,878 43.039,879 24.954,880 494.386,882 506.157,883 275.228,884 86.435,887 411.989,888 180.603,891 78.253,892 187.499,893 9.476,895 506.157,896 130.604,897 231.059,900 506.157,901 55.276,902 169.389,903 34.796,904 102.202,905 506.157,906 130.604,907 231.059,909 0.578,910 0.345,911 0.188,912 0.102,913 34,914 15,915 0.143,916 14,917 1,918 1.063,919 5.598,920 512.225,921 0.063,922 32,923 256.078,928 33.822,929 15.437,930 7.987,931 2.075,932 113.818,933 29.797,935 3.267,938 3.064,940 34.796,941 867.82,942 68,943 3.866,946 40.029,948 1.752,950 -0.839,952 92.49,953 104.633,954 0.222,955 0.558,956 0.763,957 0.852,958 0.897,959 0.907,960 5.487,961 2.044,962 6.392,963 6.868,964 5.004,965 5.445,966 3.201,967 7.233,968 4.95,969 6.666,970 1.939,971 7.973,972 5.687,973 4.635,974 5.147,975 2.59,976 8.364,977 4.562,978 7.963,979 1.828,980 9.669,981 5.589,982 6.65,983 7.531,984 4.236,985 11.448,986 6.542,987 9.296,988 1.557,989 11.438,990 5.393,991 7.163,992 8.105,993 4.298,994 13.475,995 7.043,996 10.666,997 1.544,998 13.256,999 4.483,1000 8.64,1001 9.965,1002 5.545,1003 16.139,1004 8.493,1005 12.063,1006 1.523,1007 15.11,1008 3.72,1009 9.54,1010 10.969,1011 5.915,1012 18.497,1013 9.386,1014 13.481,1015 1.387,1016 16.991,1017 3.367,1018 10.823,1019 12.612,1020 6.965,1021 21.062,1022 10.651,1023 3.467,1024 1.228,1025 18.892,1026 2.984,1027 11.893,1028 13.842,1029 7.501,1030 23.545,1031 11.716,1032 3.138,1033 13.309,1034 20.81,1035 2.814,1036 13.111,1037 15.39,1038 8.442,1039 26.097,1040 12.924,1041 3.007,1042 10.589,1043 22.741,1044 4.474,1045 14.255,1046 16.741,1047 9.074,1048 28.631,1049 14.064,1050 2.988,1051 10.179,1052 24.683,1053 3.831,1054 15.456,1055 18.248,1056 9.954,1057 31.19,1058 15.259,1059 2.54,1060 9.928,1061 26.634,1062 3.486,1063 16.634,1064 19.664,1065 10.644,1066 33.748,1067 16.434,1068 2.456,1069 7.07,1070 28.593,1071 3.451,1072 17.835,1073 21.156,1074 11.488,1075 36.317,1076 17.632,1077 2.18,1078 6.945,1079 30.559,1080 3.197,1081 19.031,1082 22.607,1083 12.214,1084 38.887,1085 18.825,1086 44163,1087 67879,1088 35.77,1089 61.074,1090 80.696,1091 82.325,1092 81.535,1093 79.31,1094 79.292,1095 99.036,1096 17.568,1097 228.508,1098 77.251,1099 5.561,1100 6.03,1101 7.291,1102 5.534,1103 5.467,1104 7.474,1105 3.974,1106 20.808,1107 5.442,1108 21.674,1109 1.523,1110 1.553,1111 1.538,1112 1.496,1113 1.496,1114 1.869,1115 0.331,1116 4.311,1117 1.458,1118 4.14,1119 4.176,1120 4.093,1121 4.053,1122 7.447,1123 4.058,1124 4.003,1125 4.044,1126 3.93,1127 3.92,1128 7.432,1129 3.916,1130 3.917,1131 3.952,1132 3.844,1133 3.844,1134 7.409,1135 3.838,1136 3.867,1137 3.916,1138 3.771,1139 3.726,1140 4.972,1141 3.728,1142 3.815,1143 3.854,1144 3.762,1145 3.62,1146 4.785,1147 3.647,1148 3.644,1149 3.702,1150 3.537,1151 3.488,1152 4.751,1153 3.486,1154 3.536,1155 3.596,1156 3.4,1157 3.417,1158 4.709,1159 3.404,1160 3.416,1161 3.471,1162 3.31,1163 3.275,1164 4.383,1165 3.282,1166 0.086,1167 0.076,1168 0.141,1169 0.084,1170 0.065,1171 4.561,1172 0.084,1173 4.03,1174 0.042,1175 7.489,1176 0.251,1177 4.459,1178 0.065,1179 3.467,1180 4.474,1181 2.226,1182 13.309,1183 3.442,1184 1.965,1185 1.934,1186 2.104,1187 2.078,1188 1.449,1189 2.088,1190 1.94,1191 1.917,1192 2.04,1193 2.022,1194 1.358,1195 2.03,1196 1.905,1197 1.877,1198 2.037,1199 2.017,1200 1.236,1201 2.025,1202 1.847,1203 1.789,1204 2.028,1205 1.986,1206 1.133,1207 2.002,1208 1.675,1209 1.629,1210 1.856,1211 1.852,1212 1.035,1213 1.85,1214 1.641,1215 1.587,1216 1.828,1217 1.819,1218 1.002,1219 1.827,1220 1.57,1221 1.511,1222 1.803,1223 1.764,1224 0.913,1225 1.771,1226 1.353,1227 1.303,1228 1.577,1229 1.609,1230 0.825,1231 1.591,1232 4.673,1233 5.999,1234 3.045,1235 7.518,1236 5.476,1237 9.12,1238 7.6,1239 10.766,1241 2.15,1247 6.326,1248 2.953,1249 5.659,1251 -0.531,1252 5.628,1253 -0.448,1257 57.502,1258 135.268,1259 339.419,1260 463.819,1261 517.877,1262 545.387,1263 551.387,1264 114.411,1265 8.8,1266 97.98,1267 97.98,1268 34,1269 13.124,1270 4.755,1271 4,1272 75.554,1273 293,1274 336,1275 0.118,1276 349.484,1277 618.7,1278 844.502,1279 103249,1281 33.512,1282 0.698,1283 0.576,1284 33.512,1285 27.645,1286 23.341,1287 0.44,1288 0.318,1289 16.679,1290 22.606,1291 16.283,1292 13.465,1293 23.341,1294 16.874,1295 20.801,1296 0.281,1297 0.179,1298 20.801,1299 13.221,1300 17.933,1301 0.181,1302 0.1,1303 17.933,1304 9.927,1305 14.728,1306 0.116,1307 0.056,1308 14.728,1309 7.063,1310 11.986,1311 0.077,1312 0.032,1313 11.986,1314 5.031,1315 0.191,1316 145.239,1317 0.167,1318 42.059,1319 0.31,1320 254,1321 664.543,1322 276.035,1323 642.623,1324 876.72,1325 602,1326 300,1327 639.11,1328 323.039,1329 649.124,1330 951.76,1331 610,1332 6}
{0 CHEMBL104793,1 1.466,2 18.383,3 5.833,4 34.018,5 183.433,6 7.043,7 0.423,8 4.58,9 4.705,10 4.102,11 4.119,12 5.622,13 4.088,14 5.152,15 5.329,16 4.459,17 4.538,18 6.16,19 4.475,20 5.458,21 5.681,22 4.523,23 4.706,24 6.37,25 4.608,26 5.593,27 5.83,28 4.498,29 4.721,30 6.576,31 4.612,32 5.601,33 5.847,34 4.549,35 4.719,36 6.565,37 4.619,38 5.619,39 5.86,40 4.599,41 4.737,42 6.646,43 4.648,44 5.6,45 5.839,46 4.571,47 4.763,48 6.621,49 4.66,50 5.618,51 5.871,52 4.483,53 4.777,54 6.542,55 4.649,56 0.045,57 1.302,58 19.577,59 8.362,60 13.254,61 11.359,62 0.622,63 2.17,64 37.444,65 13.987,66 48.454,67 19.707,68 0.408,69 2.732,70 52.648,71 19.474,72 57.913,73 27.627,74 0.842,75 2.931,76 62.968,77 21.33,78 132.086,79 29.853,80 0.688,81 2.941,82 63.626,83 21.869,84 107.355,85 30.713,86 0.932,87 3.023,88 65.162,89 21.209,90 125.636,91 30.002,92 0.813,93 3.028,94 62.896,95 21.532,96 118.965,97 30.577,98 0.65,99 3.027,100 64.206,101 22.945,102 104.234,103 32.564,104 19,105 71,106 0.216,107 0.537,108 0.729,109 0.817,110 0.862,111 0.872,112 3.874,113 0.953,114 -4.31,115 -4.25,116 -4.01,119 42.2,121 4,122 1,125 6,127 2,133 1,134 1,138 14,139 4,147 1,148 1,151 1,152 2,163 21,165 5,166 8,169 2,171 4,172 22,176 8,179 1,181 4,183 15,186 2,187 18,192 3,194 10,197 1,198 18,202 1,203 3,205 7,208 2,209 16,212 2,214 4,217 8,220 2,221 16,224 2,226 3,227 16,231 11,236 2,238 20,241 1,242 12,247 4,249 18,252 5768,253 32.421,254 32.421,255 32.421,256 32.421,257 32.421,258 29.291,259 36.306,260 19.479,261 32.917,262 25.652,263 25.652,264 25.652,265 25.652,266 25.652,267 20.919,268 45.298,269 9.186,270 26.404,271 5.026,272 2.852,273 1.551,274 0.95,275 0.644,276 0.578,277 4.585,283 1,284 1898,285 4.743,287 288.247,288 737.089,291 244.653,295 2.679,296 47.038,299 0.75,300 0.33,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.59,307 100.5,308 864,309 4.533,310 4.018,311 6.677,312 4.158,313 3.187,314 4.474,315 2.226,316 10.703,317 3.096,318 4.309,319 3.806,320 6.518,321 4.018,322 3.037,323 3.577,324 2.035,325 10.226,326 2.971,327 4.09,328 3.335,329 6.447,330 3.927,331 2.989,332 3.473,333 1.597,334 9.928,335 2.804,336 4.051,337 3.132,338 6.128,339 3.799,340 2.804,341 3.451,342 0.908,343 9.004,344 2.782,345 3.887,346 3.074,347 5.474,348 3.516,349 2.538,350 3.197,351 0.8,352 7.065,353 2.492,354 3.54,355 2.912,356 5.392,357 3.395,358 2.454,359 2.779,360 0.648,361 6.942,362 2.291,363 3.466,364 2.771,365 5.334,366 3.16,367 2.177,368 2.576,369 0.495,370 6.843,371 2.134,372 3.27,373 2.593,374 5.062,375 2.941,376 1.971,377 2.416,378 0.077,379 5.606,380 1.908,381 3.207,382 2.356,383 4.98,384 2.856,385 1.865,386 2.352,388 5.587,389 1.846,390 3.097,391 2.017,392 4.669,393 2.807,394 1.802,395 2.318,397 4.761,398 1.784,399 3.046,400 1.868,401 4.43,402 2.522,403 1.548,404 2.162,406 4.245,407 1.504,408 2.905,409 1.835,410 4.164,411 2.512,412 1.541,413 2.037,415 3.713,416 1.493,417 2.791,418 1.743,419 3.97,420 2.498,421 1.518,422 1.831,424 3.362,425 1.479,426 2.773,427 1.638,428 3.601,429 2.372,430 1.386,431 1.707,433 2.982,434 1.359,435 2.612,436 1.546,437 3.591,438 2.181,439 1.184,440 1.651,442 2.77,443 1.179,444 22.333,445 0.475,446 0.934,447 0.02,448 56,449 1.191,450 25.5,451 0.543,452 30.5,453 0.649,454 50.214,455 1.068,456 50.867,457 0.565,458 50.806,459 1.081,460 11.254,461 0.239,462 11.742,463 0.25,464 0.067,466 0.3,472 0.737,473 1.379,474 0.83,475 1.133,476 0.553,477 1.01,478 0.694,479 1.103,480 0.984,481 1.029,482 0.529,483 1.035,484 0.875,485 1.144,486 0.999,487 1.118,488 0.784,489 1.074,490 1.359,491 1.006,492 1.125,493 1.011,494 1.249,495 1.032,496 1.253,497 1.02,498 0.965,499 0.974,500 1.139,501 0.941,502 1.38,503 0.981,504 1.006,505 0.897,506 1.4,507 0.901,508 1.148,509 0.997,510 1.039,511 0.979,512 1.332,513 0.988,514 1.072,515 0.944,516 1.035,517 0.973,518 1.129,519 0.992,520 7.5,521 0.325,522 5.333,523 3.181,524 1.747,525 1.757,526 1.235,527 0.82,528 0.508,529 0.423,530 46282,531 109802,532 2.127,533 47.8,535 31,536 1,538 2,540 5,541 4,542 1.838,543 2.029,544 4.076,545 0.053,550 131.907,551 1.466,552 3.64,553 4.941,554 5.542,555 5.847,556 5.914,557 3.573,558 5.257,559 5.524,560 4.319,561 4668.82,562 9.807,563 95580.2,568 584.267,569 1.253,570 5.503,571 0.144,572 0.006,573 0.075,574 0.044,575 0.026,576 0.024,577 0.016,578 0.011,579 0.007,580 0.007,581 0.36,582 0.17,583 0.63,584 0.657,585 282.309,586 -0.014,587 -0.171,588 0.061,589 -0.05,590 -0.014,591 0.004,592 0.218,593 0.051,594 -0.039,595 -0.017,596 0.074,597 -0.058,598 -0.007,599 -0.099,600 -0.035,601 -0.116,602 -0.005,603 -0.081,604 -0.099,605 -0.017,606 -0.106,607 -0.046,608 -0.033,609 -0.07,610 -0.052,611 -0.053,612 0.054,613 -0.004,614 -0.004,615 0.031,616 -0.052,617 0.012,618 0.028,619 0.052,620 -0.033,621 0.049,622 -0.026,623 0.014,624 -0.033,625 -0.011,626 -0.029,627 -0.021,628 -0.102,629 0.033,630 -0.044,631 0.012,632 -0.063,633 -0.002,634 1.997,635 6.559,636 0.681,637 72.916,638 0.996,639 1.125,640 3.085,641 9.517,642 0.659,643 3.97,644 4.277,645 4.564,646 4.812,647 4.997,648 5.03,649 5.204,650 5.347,651 5.421,652 5.533,653 10.509,654 0.622,655 633.86,656 3.97,657 5.509,658 6.361,659 7.231,660 8.098,661 8.973,662 9.847,663 10.725,664 11.603,665 12.484,666 5.6,669 1,673 3,674 1,680 2,681 15,683 1,686 3,688 22,703 90,705 26,706 3,707 52,709 95,710 38,711 20,712 4,713 14,717 6,718 7,720 1,724 4,727 6,729 25,730 13,731 1,733 4,734 1,737 3,739 1,741 3,747 43,748 8,749 2,750 9,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,787 1,788 1,792 1,793 1,796 5,805 47,810 10,811 1,812 1,814 3,815 3,825 4.4,828 3,830 1,832 23.167,833 15.6,834 10.472,835 5.522,836 2.678,837 1.305,838 0.983,839 10.965,840 11.458,841 4.22,842 4.73,843 5.24,844 5.734,845 6.151,846 6.228,847 6.572,848 6.891,849 6.904,850 7.134,851 1,852 73,853 17.568,854 7.585,855 7.688,856 33.906,857 28.508,859 2.188,860 102.833,864 482.615,865 222.234,866 44.169,868 86.435,871 222.234,872 569.05,873 44.169,875 65.285,876 151.191,877 80.139,878 43.039,879 24.954,880 470.844,882 482.615,883 266.403,884 86.435,887 376.675,888 192.375,891 69.428,892 187.499,893 9.476,895 482.615,896 130.604,897 222.234,900 482.615,901 55.276,902 160.564,903 34.796,904 102.202,905 482.615,906 130.604,907 222.234,909 0.573,910 0.341,911 0.188,912 0.1,913 32,914 14,915 0.147,916 14,917 1,918 1.063,919 5.618,920 490.392,921 0.063,922 32,923 249.066,928 32.859,929 15.684,930 8.088,931 2.08,932 113.818,933 29.758,935 3.261,938 3.085,940 34.796,941 835.453,942 67,943 3.859,946 39.703,948 1.751,950 -0.82,952 89.607,953 101.218,954 0.226,955 0.561,956 0.761,957 0.854,958 0.901,959 0.911,960 5.457,961 1.971,962 6.326,963 6.843,964 4.963,965 5.418,966 3.201,967 7.122,968 4.906,969 6.618,970 1.865,971 7.874,972 5.606,973 4.443,974 5.037,975 2.59,976 7.995,977 4.354,978 7.894,979 1.802,980 9.524,981 5.587,982 6.538,983 7.483,984 4.236,985 11.106,986 6.417,987 9.204,988 1.548,989 11.238,990 4.761,991 6.899,992 7.999,993 4.298,994 12.848,995 6.742,996 10.55,997 1.541,998 12.993,999 4.245,1000 8.412,1001 9.897,1002 5.545,1003 15.45,1004 8.227,1005 11.922,1006 1.518,1007 14.776,1008 3.713,1009 9.179,1010 10.868,1011 5.915,1012 17.538,1013 8.958,1014 13.314,1015 1.386,1016 16.58,1017 3.362,1018 10.455,1019 12.533,1020 6.965,1021 19.969,1022 10.209,1023 3.187,1024 1.184,1025 18.398,1026 2.982,1027 11.414,1028 13.749,1029 7.501,1030 22.2,1031 11.132,1032 3.037,1033 10.703,1034 20.228,1035 2.77,1036 12.593,1037 15.31,1038 8.442,1039 24.57,1040 12.285,1041 2.989,1042 10.226,1043 22.067,1044 4.474,1045 13.64,1046 16.659,1047 9.074,1048 26.861,1049 13.299,1050 2.804,1051 9.928,1052 23.914,1053 3.577,1054 14.783,1055 18.175,1056 9.954,1057 29.21,1058 14.415,1059 2.538,1060 9.004,1061 25.766,1062 3.473,1063 15.871,1064 19.594,1065 10.644,1066 31.528,1067 15.472,1068 2.454,1069 7.065,1070 27.622,1071 3.451,1072 17.001,1073 21.093,1074 11.488,1075 33.871,1076 16.573,1077 2.177,1078 6.942,1079 29.483,1080 3.197,1081 18.11,1082 22.549,1083 12.214,1084 36.202,1085 17.652,1086 42790,1087 66095,1088 35.482,1089 59.313,1090 78.412,1091 80.125,1092 79.162,1093 77.246,1094 77.215,1095 96.934,1096 17.568,1097 217.01,1098 75.172,1099 5.533,1100 6.018,1101 6.479,1102 5.233,1103 5.187,1104 7.474,1105 3.974,1106 17.77,1107 5.096,1108 19.401,1109 1.508,1110 1.541,1111 1.522,1112 1.485,1113 1.485,1114 1.864,1115 0.338,1116 4.173,1117 1.446,1118 4.139,1119 4.174,1120 4.092,1121 4.052,1122 7.447,1123 4.057,1124 3.988,1125 4.032,1126 3.911,1127 3.9,1128 7.432,1129 3.895,1130 3.913,1131 3.947,1132 3.841,1133 3.843,1134 7.409,1135 3.836,1136 3.866,1137 3.916,1138 3.771,1139 3.726,1140 4.972,1141 3.728,1142 3.815,1143 3.854,1144 3.761,1145 3.616,1146 4.784,1147 3.645,1148 3.638,1149 3.698,1150 3.531,1151 3.471,1152 4.747,1153 3.47,1154 3.499,1155 3.561,1156 3.359,1157 3.387,1158 4.709,1159 3.371,1160 3.413,1161 3.469,1162 3.297,1163 3.271,1164 4.382,1165 3.276,1166 0.087,1167 0.077,1168 0.128,1169 0.08,1170 0.061,1171 4.533,1172 0.086,1173 4.018,1174 0.043,1175 6.677,1176 0.206,1177 4.158,1178 0.06,1179 3.187,1180 4.474,1181 2.226,1182 10.703,1183 3.096,1184 1.948,1185 1.919,1186 2.092,1187 2.071,1188 1.443,1189 2.079,1190 1.94,1191 1.914,1192 2.039,1193 2.019,1194 1.339,1195 2.026,1196 1.905,1197 1.877,1198 2.037,1199 2.013,1200 1.235,1201 2.022,1202 1.847,1203 1.789,1204 2.027,1205 1.985,1206 1.133,1207 2.001,1208 1.672,1209 1.626,1210 1.843,1211 1.852,1212 1.035,1213 1.848,1214 1.623,1215 1.565,1216 1.828,1217 1.814,1218 1.002,1219 1.821,1220 1.553,1221 1.495,1222 1.785,1223 1.754,1224 0.907,1225 1.754,1226 1.353,1227 1.301,1228 1.554,1229 1.6,1230 0.825,1231 1.591,1232 4.654,1233 5.964,1234 3.045,1235 7.463,1236 5.476,1237 9.045,1238 7.6,1239 10.669,1247 6.469,1248 2.936,1249 5.646,1251 -0.506,1252 5.613,1257 55.975,1258 131.907,1259 327.599,1260 444.699,1261 498.757,1262 526.267,1263 532.267,1264 107.07,1265 8.779,1266 97.98,1267 97.98,1268 34,1269 13.02,1270 4.755,1271 4,1272 73.18,1273 292,1274 322,1275 0.115,1276 339.892,1277 601.4,1278 821.096,1279 101856,1281 32.589,1282 0.693,1283 0.569,1284 32.589,1285 26.722,1286 22.996,1287 0.442,1288 0.318,1289 16.327,1290 22.258,1291 16.015,1292 13.215,1293 22.996,1294 16.522,1295 20.041,1296 0.282,1297 0.176,1298 20.041,1299 12.465,1300 17.353,1301 0.183,1302 0.099,1303 17.353,1304 9.437,1305 14.394,1306 0.118,1307 0.056,1308 14.394,1309 6.824,1310 11.535,1311 0.078,1312 0.033,1313 11.535,1314 4.806,1315 0.186,1316 143.163,1317 0.168,1318 41.516,1319 0.3,1320 246,1321 656.543,1322 268.035,1323 633.374,1324 863.12,1325 594,1326 289,1327 627.11,1328 311.872,1329 634.737,1330 930.6,1331 598,1332 6}
{0 CHEMBL105570,1 1.495,2 17.093,3 6.066,4 36.796,5 168.805,6 7.095,7 0.468,8 4.485,9 4.609,10 4.014,11 4.012,12 5.564,13 3.981,14 5.049,15 5.228,16 4.366,17 4.427,18 6.13,19 4.371,20 5.345,21 5.561,22 4.445,23 4.626,24 6.256,25 4.531,26 5.552,27 5.799,28 4.432,29 4.677,30 6.48,31 4.561,32 5.562,33 5.817,34 4.43,35 4.683,36 6.471,37 4.561,38 5.551,39 5.803,40 4.427,41 4.71,42 6.44,43 4.581,44 5.564,45 5.825,46 4.409,47 4.739,48 6.436,49 4.592,50 5.552,51 5.826,52 4.339,53 4.716,54 6.342,55 4.554,56 0.117,57 1.189,58 17.703,59 7.592,60 15.007,61 10.35,62 0.559,63 1.951,64 33.742,65 12.443,66 66.769,67 17.527,68 0.251,69 2.499,70 46.115,71 17.392,72 47.899,73 24.836,74 0.686,75 2.805,76 60.394,77 20.408,78 101.012,79 29.051,80 0.667,81 2.791,82 61.354,83 21.392,84 108.276,85 30.411,86 0.779,87 2.851,88 60.09,89 20.894,90 98.302,91 30.17,92 0.736,93 2.916,94 60.458,95 22.043,96 101.781,97 32.163,98 0.522,99 2.849,100 59.847,101 22.478,102 72.963,103 32.904,104 31,105 65,106 0.225,107 0.529,108 0.719,109 0.82,110 0.855,111 0.855,112 3.787,113 0.946,114 -5.7,115 -5.57,116 -5.19,119 41.5,120 1,121 3,123 1,125 6,127 1,133 1,134 1,138 13,139 2,140 1,142 1,148 1,152 1,153 1,159 2,163 17,165 5,166 12,172 18,176 17,183 12,186 1,187 22,194 10,197 1,198 15,205 11,208 3,209 11,217 16,220 3,221 8,227 20,230 2,231 8,238 20,241 5,242 9,249 12,252 4166,253 29.222,254 29.222,255 29.222,256 29.222,257 29.222,258 26.065,259 36.142,260 17.375,261 29.759,262 23.135,263 23.135,264 23.135,265 23.135,266 23.135,267 18.469,268 46.567,269 8.109,270 23.98,271 4.862,272 2.835,273 1.57,274 0.901,275 0.668,276 0.668,277 4.489,284 1594,285 5.099,287 121.914,288 671.885,291 225.927,295 2.649,296 41.005,299 0.5,300 0.5,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.58,307 92.5,308 735,309 4.606,310 3.806,311 7.486,312 4.451,313 3.458,314 4.478,315 2.612,316 13.291,317 3.437,318 4.438,319 3.778,320 6.518,321 3.977,322 3.022,323 3.951,324 2.226,325 10.22,326 2.883,327 4.256,328 3.664,329 6.447,330 3.926,331 2.988,332 3.815,333 0.908,334 9.928,335 2.797,336 4.085,337 3.062,338 5.929,339 3.758,340 2.783,341 3.268,342 0.8,343 8.227,344 2.713,345 3.768,346 2.92,347 5.392,348 3.424,349 2.492,350 3.17,351 0.648,352 7.043,353 2.333,354 3.553,355 2.776,356 5.303,357 3.325,358 2.356,359 2.873,360 0.077,361 6.799,362 2.268,363 3.486,364 2.596,365 5.218,366 3.088,367 2.101,368 2.639,370 6.124,371 2.075,372 3.306,373 2.146,374 4.991,375 2.903,376 1.944,377 2.532,379 5.593,380 1.847,381 3.112,382 2.02,383 4.909,384 2.836,385 1.877,386 2.318,388 5.273,389 1.789,390 3.045,391 1.939,392 4.186,393 2.515,394 1.546,395 2.148,397 3.736,398 1.497,399 2.939,400 1.841,401 3.974,402 2.411,403 1.444,404 2.029,406 3.299,407 1.389,408 2.773,409 1.546,410 3.777,411 2.265,412 1.268,413 1.755,415 2.92,416 1.262,417 2.676,418 1.419,419 3.676,420 2.235,421 1.239,422 1.704,424 2.834,425 1.234,426 2.597,427 1.282,428 3.635,429 2.123,430 1.15,431 1.633,433 2.732,434 1.116,435 2.5,436 1.183,437 3.505,438 2,439 1,440 1.5,442 2.275,443 1,444 20.333,445 0.473,446 0.986,447 0.023,448 53.25,449 1.238,450 25.5,451 0.593,452 27.75,453 0.645,454 44.534,455 1.036,456 46.867,457 0.572,458 46.366,459 1.078,460 10.51,461 0.244,462 10.348,463 0.241,464 0.098,465 0.025,466 0.251,472 0.559,473 1.389,474 0.805,475 1.16,476 0.521,477 1.041,478 0.707,479 1.073,480 0.934,481 0.977,482 0.416,483 0.975,484 0.738,485 1.234,486 1,487 1.188,488 0.5,489 1.132,490 1.178,491 0.983,492 1.08,493 1.004,494 0.966,495 1.02,496 1.067,497 0.958,498 0.974,499 0.956,500 0.896,501 0.956,502 0.934,503 0.971,504 1.038,505 0.968,506 0.814,507 1.01,508 0.6,509 0.97,510 0.971,511 1.001,512 0.586,513 1.03,514 0.501,515 0.952,516 0.908,517 1.003,518 0.427,519 1.013,520 8.5,521 0.343,522 5.778,523 2.854,524 1.986,525 1.729,526 0.961,527 0.589,528 0.431,529 0.428,530 35230,531 92694,532 2.08,533 47.6,534 3,535 29,537 1,540 2,541 4,542 1.816,543 1.962,544 3.983,545 -0.786,550 122.605,551 1.495,552 3.523,553 4.788,554 5.457,555 5.69,556 5.69,557 3.508,558 4.926,559 5.396,560 4.235,561 3823.95,562 9.543,563 73222.7,568 521.319,569 1.429,570 5.36,571 0.181,572 0.007,573 0.089,574 0.042,575 0.031,576 0.027,577 0.015,578 0.009,579 0.007,580 0.008,581 0.416,582 0.17,583 0.5,584 0.819,585 251.842,586 0.15,587 -0.17,588 0.075,589 -0.062,590 0.014,591 -0.021,592 0.184,593 0.078,594 0.005,595 0.043,596 0.195,597 0.007,598 -0.025,599 -0.164,600 -0.065,601 -0.166,602 0.043,603 -0.125,604 -0.118,605 0.002,606 -0.079,607 -0.034,608 -0.044,609 -0.045,610 -0.068,611 -0.01,612 0.023,613 0.028,614 -0.014,615 0.036,616 -0.033,617 0.018,618 -0.056,619 0.015,620 -0.049,621 -0.02,622 0.08,623 0.012,624 -0.013,625 -0.001,626 0.031,627 -0.017,628 0.058,629 0.004,630 0.04,631 0.005,632 0.027,633 0.017,634 2.447,635 6.048,636 0.628,637 60.48,638 0.998,639 1.127,640 4.472,641 19.995,642 0.656,643 3.871,644 4.19,645 4.454,646 4.673,647 4.875,648 4.913,649 5.043,650 5.124,651 5.193,652 5.293,653 9.932,654 0.621,655 581.78,656 3.871,657 5.416,658 6.263,659 7.136,660 8.001,661 8.879,662 9.751,663 10.632,664 11.507,665 12.391,666 6.1,669 1,673 1,674 1,676 1,677 1,680 2,681 14,682 1,686 3,687 1,688 22,698 1,703 82,705 26,706 3,707 47,709 86,710 34,711 19,712 5,713 13,717 5,718 6,721 1,722 1,724 3,727 4,729 22,730 12,733 4,734 1,735 1,737 3,739 1,741 1,747 39,748 7,750 9,753 1,755 5,760 0.8,761 4,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,801 1,805 43,810 9,812 1,814 1,815 2,816 1,825 4.9,828 1,830 1,831 2,832 21.917,833 14.75,834 9.556,835 4.967,836 2.844,837 1.343,838 0.958,839 10.036,840 11.139,841 4.143,842 4.694,843 5.21,844 5.719,845 6.177,846 6.341,847 6.667,848 6.9,849 7.002,850 7.256,851 1,852 68,853 15.954,854 6.766,855 7.746,856 30.722,857 25.475,859 2.246,860 96.583,864 459.073,865 208.781,866 30.603,868 86.892,871 208.781,872 545.965,873 30.603,874 14.495,875 41.616,876 132.667,877 62.32,878 27.295,879 8.907,880 447.302,881 50.747,882 459.073,883 239.385,884 86.892,887 388.446,888 106.771,889 50.747,891 50.46,892 156.993,893 31.932,895 459.073,896 117.495,897 208.781,900 459.073,901 42.903,902 163.929,904 119.444,905 459.073,906 117.495,907 208.781,909 0.577,910 0.34,911 0.18,912 0.098,913 29,914 13,915 0.151,916 13,917 1,918 1.074,919 5.231,920 429.515,921 0.074,922 27,923 219.329,928 30.621,929 14.093,930 7.579,931 2.156,932 109.926,933 27.005,934 4.619,938 2.03,939 2.268,941 785.349,942 62,943 3.842,944 -0.447,946 34.842,948 1.727,950 -0.388,952 81.839,953 92.388,954 0.235,955 0.554,956 0.753,957 0.858,958 0.895,959 0.895,960 5.382,961 1.944,962 6.256,963 6.124,964 4.875,965 5.382,966 3.18,967 7.084,968 4.806,969 6.574,970 1.877,971 7.832,972 5.593,973 4.511,974 5.156,975 2.792,976 8.233,977 4.41,978 7.878,979 1.546,980 9.523,981 5.273,982 6.515,983 7.531,984 4.606,985 11.288,986 6.38,987 9.219,988 1.444,989 11.288,990 3.736,991 7.022,992 8.169,993 4.858,994 13.339,995 6.867,996 10.596,997 1.268,998 13.105,999 3.299,1000 8.494,1001 10.018,1002 6.282,1003 15.993,1004 8.313,1005 11.999,1006 1.239,1007 14.959,1008 2.92,1009 9.384,1010 11.066,1011 6.828,1012 18.374,1013 9.195,1014 13.421,1015 1.15,1016 16.841,1017 2.834,1018 10.665,1019 12.701,1020 8.045,1021 20.944,1022 10.46,1023 3.458,1024 1,1025 18.745,1026 2.732,1027 11.728,1028 13.956,1029 8.755,1030 23.444,1031 11.52,1032 3.022,1033 13.291,1034 20.667,1035 2.275,1036 12.945,1037 15.496,1038 9.857,1039 26.006,1040 12.73,1041 2.988,1042 10.22,1043 22.602,1044 4.478,1045 14.086,1046 16.858,1047 10.664,1048 28.553,1049 13.872,1050 2.783,1051 9.928,1052 24.55,1053 3.951,1054 15.288,1055 18.358,1056 11.701,1057 31.121,1058 15.072,1059 2.492,1060 8.227,1061 26.507,1062 3.815,1063 16.466,1064 19.776,1065 12.568,1066 33.687,1067 16.253,1068 2.356,1069 7.043,1070 28.473,1071 3.268,1072 17.669,1073 21.262,1074 13.569,1075 36.262,1076 17.458,1077 2.101,1078 6.799,1079 30.445,1080 3.17,1081 18.867,1082 22.71,1083 14.472,1084 38.838,1085 18.659,1086 33173,1087 54133,1088 31.493,1089 53.79,1090 70.909,1091 72.415,1092 72.222,1093 70.045,1094 70.02,1095 90.318,1096 14.54,1097 199.734,1098 67.683,1099 5.606,1100 5.806,1101 7.288,1102 5.531,1103 5.458,1104 7.478,1105 4.612,1106 20.779,1107 5.437,1108 21.026,1109 1.509,1110 1.541,1111 1.537,1112 1.49,1113 1.49,1114 1.922,1115 0.309,1116 4.25,1117 1.44,1118 4.132,1119 4.176,1120 4.089,1121 4.014,1122 7.815,1123 4.025,1124 3.998,1125 4.029,1126 3.954,1127 3.884,1128 7.433,1129 3.887,1130 3.943,1131 3.982,1132 3.871,1133 3.865,1134 6.999,1135 3.865,1136 3.876,1137 3.925,1138 3.783,1139 3.726,1140 5.04,1141 3.73,1142 3.658,1143 3.712,1144 3.566,1145 3.512,1146 4.762,1147 3.506,1148 3.569,1149 3.62,1150 3.49,1151 3.427,1152 4.729,1153 3.418,1154 3.534,1155 3.567,1156 3.425,1157 3.215,1158 4.7,1159 3.262,1160 3.38,1161 3.447,1162 3.26,1163 3.192,1164 4.371,1165 3.215,1166 0.098,1167 0.081,1168 0.159,1169 0.095,1170 0.074,1171 4.606,1172 0.095,1173 3.806,1174 0.056,1175 7.486,1176 0.283,1177 4.451,1178 0.073,1179 3.458,1180 4.478,1181 2.612,1182 13.291,1183 3.437,1184 1.982,1185 1.95,1186 2.113,1187 2.095,1188 1.452,1189 2.101,1190 1.928,1191 1.903,1192 2.042,1193 2.086,1194 1.368,1195 2.057,1196 1.901,1197 1.873,1198 2.027,1199 2.032,1200 1.147,1201 2.034,1202 1.847,1203 1.789,1204 2.003,1205 1.979,1206 1.113,1207 1.99,1208 1.649,1209 1.595,1210 1.853,1211 1.825,1212 1.002,1213 1.83,1214 1.574,1215 1.514,1216 1.805,1217 1.771,1218 0.912,1219 1.776,1220 1.384,1221 1.32,1222 1.6,1223 1.711,1224 0.825,1225 1.638,1226 1.335,1227 1.297,1228 1.513,1229 1.612,1230 0.814,1231 1.615,1232 4.554,1233 5.872,1234 2.398,1235 7.386,1236 4.727,1237 8.984,1238 6.823,1239 10.625,1241 2.344,1247 6.756,1249 5.593,1251 0.066,1252 4.256,1253 -0.085,1257 50.922,1258 122.605,1259 288.864,1260 392.584,1261 447.445,1262 466.564,1263 466.564,1264 94.439,1265 8.295,1266 96.42,1267 96.42,1268 29,1269 12.926,1270 4.755,1271 4,1272 71.621,1273 260,1274 275,1275 0.131,1276 311.843,1277 547.2,1278 752.658,1279 54186,1281 30.236,1282 0.703,1283 0.574,1284 30.236,1285 24.678,1286 20.858,1287 0.444,1288 0.315,1289 14.623,1290 20.061,1291 14.266,1292 11.831,1293 20.858,1294 14.815,1295 18.59,1296 0.286,1297 0.177,1298 18.59,1299 11.53,1300 15.639,1301 0.184,1302 0.101,1303 15.639,1304 8.565,1305 12.596,1306 0.119,1307 0.056,1308 12.596,1309 5.981,1310 10.16,1311 0.078,1312 0.033,1313 10.16,1314 4.301,1315 0.212,1316 130.713,1317 0.178,1318 38.676,1319 0.341,1320 224,1321 631.168,1322 245.285,1323 608.225,1324 821.4,1325 566,1326 262,1327 603.371,1328 284.319,1329 608.058,1330 881.1,1331 568,1332 6}
{0 CHEMBL105659,1 1.374,2 15.6,3 6.172,4 38.089,5 161.48,6 6.71,7 0.5,8 4.448,9 4.576,10 3.936,11 3.998,12 5.45,13 3.952,14 5.017,15 5.207,16 4.278,17 4.407,18 5.953,19 4.333,20 5.315,21 5.54,22 4.351,23 4.601,24 6.132,25 4.485,26 5.508,27 5.765,28 4.345,29 4.649,30 6.336,31 4.515,32 5.531,33 5.792,34 4.379,35 4.666,36 6.389,37 4.533,38 5.538,39 5.794,40 4.375,41 4.699,42 6.398,43 4.56,44 5.53,45 5.799,46 4.346,47 4.727,48 6.307,49 4.569,50 5.539,51 5.818,52 4.267,53 4.705,54 6.285,55 4.531,56 0.066,57 1.132,58 18.195,59 7.636,60 13.132,61 10.656,62 0.495,63 1.896,64 33.958,65 12.413,66 39.314,67 17.897,68 0.293,69 2.429,70 45.806,71 17.427,72 33.841,73 25.19,74 0.588,75 2.747,76 57.586,77 20.181,78 64.364,79 29.038,80 0.577,81 2.766,82 58.949,83 21.179,84 78.347,85 30.242,86 0.7,87 2.84,88 59.302,89 20.993,90 81.357,91 30.306,92 0.441,93 2.892,94 57.683,95 21.868,96 56.465,97 32.067,98 0.44,99 2.839,100 58.514,101 22.454,102 58.916,103 32.772,104 12,105 60,106 0.208,107 0.501,108 0.688,109 0.791,110 0.843,111 0.854,112 3.717,113 0.976,114 -5.58,115 -5.45,116 -5.09,119 42.5,120 1,121 3,123 1,125 6,127 1,133 1,134 1,138 14,139 2,142 1,148 1,152 1,153 1,163 19,165 4,166 10,172 20,176 11,183 13,186 1,187 17,194 10,197 1,198 14,205 11,208 2,209 11,217 16,220 1,221 10,227 20,231 8,238 20,241 1,242 9,249 15,252 3346,253 27.567,254 27.567,255 27.567,256 27.567,257 27.567,258 24.687,259 31.188,260 16.653,261 28.048,262 21.701,263 21.701,264 21.701,265 21.701,266 21.701,267 17.494,268 41.423,269 7.815,270 22.466,271 4.948,272 3.015,273 1.779,274 1.103,275 0.759,276 0.684,277 4.423,284 1363,285 4.743,287 109.666,288 613.108,291 203.618,295 2.29,296 26.14,299 0.5,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.6,307 84,308 624,309 4.606,310 3.806,311 7.486,312 4.451,313 3.458,314 4.478,315 2.226,316 13.291,317 3.437,318 4.438,319 3.664,320 6.518,321 3.977,322 3.022,323 3.815,324 0.908,325 10.22,326 2.883,327 4.089,328 3.062,329 6.447,330 3.926,331 2.988,332 3.451,333 0.8,334 9.928,335 2.796,336 3.887,337 2.92,338 5.397,339 3.516,340 2.54,341 3.197,342 0.648,343 7.07,344 2.492,345 3.555,346 2.772,347 5.337,348 3.396,349 2.456,350 2.873,351 0.077,352 6.944,353 2.291,354 3.487,355 2.594,356 5.218,357 3.088,358 2.101,359 2.639,361 6.124,362 2.076,363 3.306,364 2.146,365 4.993,366 2.913,367 1.958,368 2.533,370 5.601,371 1.853,372 3.116,373 1.939,374 4.909,375 2.838,376 1.88,377 2.318,379 5.274,380 1.792,381 3.045,382 1.842,383 4.186,384 2.515,385 1.546,386 2.166,388 3.736,389 1.497,390 2.905,391 1.743,392 3.973,393 2.504,394 1.524,395 2.037,397 3.367,398 1.491,399 2.773,400 1.546,401 3.677,402 2.372,403 1.387,404 1.755,406 2.984,407 1.359,408 2.676,409 1.282,410 3.636,411 2.235,412 1.239,413 1.703,415 2.834,416 1.234,417 2.597,418 1.258,419 3.599,420 2.123,421 1.151,422 1.633,424 2.732,425 1.116,426 2.5,427 1.183,428 3.505,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.077,437 3.414,438 2,439 1,440 1.5,442 2.136,443 1,444 19.267,445 0.482,446 0.79,447 0.02,448 48,449 1.2,450 22.5,451 0.563,452 25.5,453 0.638,454 42.089,455 1.052,456 43.133,457 0.539,458 39.487,459 0.987,460 9.483,461 0.237,462 10.07,463 0.252,464 0.069,465 0.026,466 0.218,472 0.791,473 1.411,474 0.878,475 1.171,476 0.653,477 1.053,478 0.947,479 1.058,480 1.014,481 0.969,482 0.597,483 0.983,484 0.903,485 1.217,486 1.05,487 1.16,488 0.683,489 1.118,490 1.448,491 0.987,492 1.091,493 0.988,494 1.302,495 1,496 1.379,497 0.971,498 0.992,499 0.947,500 1.286,501 0.939,502 1.375,503 0.972,504 1.082,505 0.936,506 1.5,507 0.977,508 0.726,509 0.997,510 0.99,511 1.004,512 0.733,513 1.014,514 0.756,515 0.957,516 0.974,517 0.975,518 0.751,519 0.991,520 7,521 0.244,522 4.889,523 2.542,524 1.714,525 1.493,526 0.881,527 0.533,528 0.341,529 0.348,530 28593,531 62919,532 2.116,533 50,534 3,535 30,537 1,540 2,541 4,542 1.8,543 2.025,544 3.865,545 -0.844,550 109.903,551 1.374,552 3.307,553 4.543,554 5.219,555 5.562,556 5.637,557 3.328,558 4.853,559 5.293,560 4.089,561 3189.53,562 9.343,563 57114,568 505.754,569 1.28,570 5.269,571 0.159,572 0.006,573 0.081,574 0.041,575 0.029,576 0.024,577 0.014,578 0.009,579 0.006,580 0.007,581 0.377,582 0.33,583 0.5,584 0.679,585 228.097,586 0.042,587 -0.222,588 0.075,589 -0.082,590 -0.001,591 -0.016,592 0.193,593 0.089,594 -0.016,595 0.034,596 0.109,597 -0.004,598 -0.025,599 -0.157,600 -0.076,601 -0.154,602 -0.001,603 -0.123,604 -0.112,605 0.009,606 -0.071,607 -0.029,608 -0.071,609 -0.042,610 -0.06,611 -0.006,612 0.025,613 0.022,614 0.027,615 0.029,616 -0.085,617 0.02,618 -0.067,619 0.029,620 -0.106,621 -0.013,622 -0.014,623 0.002,624 -0.023,625 -0.018,626 -0.011,627 -0.02,628 -0.035,629 0.005,630 -0.007,631 0.014,632 -0.039,633 0.008,634 1.925,635 5.981,636 0.675,637 51.633,638 0.987,639 1.124,640 4.352,641 18.941,642 0.658,643 3.807,644 4.111,645 4.382,646 4.615,647 4.812,648 4.82,649 4.977,650 5.075,651 5.124,652 5.22,653 9.105,654 0.612,655 536.78,656 3.807,657 5.342,658 6.188,659 7.059,660 7.923,661 8.8,662 9.672,663 10.553,664 11.429,665 12.314,666 5,669 1,673 1,674 1,676 1,680 2,681 15,682 1,686 2,687 1,688 22,703 80,705 24,706 3,707 44,709 84,710 34,711 19,712 4,713 14,717 5,718 6,721 1,722 1,724 3,727 4,729 22,730 12,733 2,734 1,737 1,739 1,741 1,747 40,748 5,750 6,753 1,755 4,760 0.8,761 2,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,801 1,805 40,810 9,812 1,814 1,815 2,816 1,825 2.5,828 1,830 1,832 19.75,833 14.3,834 8.944,835 4.906,836 2.667,837 1.329,838 0.968,839 9.357,840 10.772,841 4.06,842 4.588,843 5.116,844 5.634,845 6.082,846 6.169,847 6.539,848 6.852,849 6.912,850 7.203,851 1,852 62,853 14.849,854 6.222,855 7.523,856 29.191,857 24.298,859 2.023,860 80.917,864 470.844,865 215.501,866 24.933,868 36.145,871 215.501,872 506.989,873 24.933,874 8.825,875 41.616,876 142.144,877 62.32,878 24.539,879 8.907,880 459.073,882 470.844,883 240.434,884 36.145,887 400.217,888 106.771,891 50.46,892 163.712,893 26.262,895 470.844,896 61.078,897 215.501,900 470.844,901 40.146,902 167.735,904 68.697,905 470.844,906 61.078,907 215.501,909 0.571,910 0.337,911 0.184,912 0.1,913 27,914 11,915 0.143,916 12,917 1,918 1.074,919 5.032,920 392.249,921 0.074,922 27,923 200.877,928 28.138,929 13.302,930 7.037,931 2.207,932 59.179,933 31.004,934 4.634,938 2.343,939 2.294,941 747.423,942 57,943 3.879,946 12.981,948 1.793,950 -0.258,952 78.967,953 89.886,954 0.217,955 0.523,956 0.719,957 0.825,958 0.88,959 0.892,960 5.291,961 1.88,962 6.168,963 5.601,964 4.796,965 5.276,966 2.553,967 6.991,968 4.728,969 6.465,970 1.546,971 7.735,972 5.274,973 4.369,974 4.913,975 1.905,976 8.146,977 4.27,978 7.755,979 1.524,980 9.422,981 3.736,982 6.425,983 7.388,984 3.622,985 11.216,986 6.292,987 9.084,988 1.387,989 11.189,990 3.367,991 6.909,992 7.931,993 3.668,994 13.291,995 6.756,996 10.453,997 1.239,998 13.012,999 2.984,1000 8.407,1001 9.851,1002 5.031,1003 15.955,1004 8.23,1005 11.849,1006 1.151,1007 14.874,1008 2.834,1009 9.296,1010 10.848,1011 5.399,1012 18.35,1013 9.111,1014 13.268,1015 1,1016 16.765,1017 2.732,1018 10.591,1019 12.526,1020 6.54,1021 20.927,1022 10.391,1023 3.458,1024 1,1025 18.679,1026 2.275,1027 11.66,1028 13.762,1029 7.079,1030 23.434,1031 11.458,1032 3.022,1033 13.291,1034 20.609,1035 2.136,1036 12.887,1037 15.33,1038 8.087,1039 25.999,1040 12.678,1041 2.988,1042 10.22,1043 22.554,1044 4.478,1045 14.035,1046 16.689,1047 8.727,1048 28.548,1049 13.828,1050 2.54,1051 9.928,1052 24.509,1053 3.815,1054 15.245,1055 18.209,1056 9.654,1057 31.118,1058 15.035,1059 2.456,1060 7.07,1061 26.473,1062 3.451,1063 16.429,1064 19.633,1065 10.356,1066 33.685,1067 16.222,1068 2.101,1069 6.944,1070 28.444,1071 3.197,1072 17.638,1073 21.133,1074 11.234,1075 36.261,1076 17.432,1077 1.958,1078 6.124,1079 30.422,1080 2.873,1081 18.841,1082 22.591,1083 11.973,1084 38.837,1085 18.638,1086 26702,1087 39743,1088 29.989,1089 52.637,1090 66.089,1091 66.328,1092 66.769,1093 65.133,1094 65.11,1095 82.795,1096 9.316,1097 183.424,1098 62.967,1099 5.606,1100 5.806,1101 7.288,1102 5.526,1103 5.458,1104 7.478,1105 3.974,1106 20.779,1107 5.437,1108 14.945,1109 1.502,1110 1.507,1111 1.517,1112 1.48,1113 1.48,1114 1.882,1115 0.212,1116 4.169,1117 1.431,1118 4.13,1119 4.175,1120 4.087,1121 4.013,1122 7.433,1123 4.024,1124 3.961,1125 4.005,1126 3.884,1127 3.879,1128 5.04,1129 3.876,1130 3.911,1131 3.941,1132 3.839,1133 3.845,1134 4.784,1135 3.838,1136 3.865,1137 3.913,1138 3.768,1139 3.726,1140 4.748,1141 3.728,1142 3.65,1143 3.708,1144 3.543,1145 3.512,1146 4.709,1147 3.506,1148 3.558,1149 3.617,1150 3.433,1151 3.427,1152 4.383,1153 3.417,1154 3.389,1155 3.449,1156 3.272,1157 3.211,1158 4.348,1159 3.219,1160 3.354,1161 3.389,1162 3.247,1163 3.119,1164 4.308,1165 3.15,1166 0.105,1167 0.086,1168 0.17,1169 0.101,1170 0.079,1171 4.606,1172 0.102,1173 3.806,1174 0.051,1175 7.486,1176 0.302,1177 4.451,1178 0.078,1179 3.458,1180 4.478,1181 2.226,1182 13.291,1183 3.437,1184 1.982,1185 1.95,1186 2.113,1187 2.093,1188 1.452,1189 2.101,1190 1.905,1191 1.877,1192 2.043,1193 2.037,1194 1.368,1195 2.04,1196 1.901,1197 1.873,1198 2.03,1199 1.99,1200 1.133,1201 2.004,1202 1.847,1203 1.789,1204 2.003,1205 1.977,1206 1.113,1207 1.99,1208 1.649,1209 1.595,1210 1.853,1211 1.819,1212 1.002,1213 1.829,1214 1.574,1215 1.513,1216 1.805,1217 1.764,1218 0.911,1219 1.775,1220 1.383,1221 1.31,1222 1.6,1223 1.613,1224 0.825,1225 1.618,1226 1.263,1227 1.227,1228 1.513,1229 1.539,1230 0.814,1231 1.519,1232 4.489,1233 5.796,1234 2.398,1235 7.305,1236 4.727,1237 8.9,1238 6.823,1239 10.539,1241 2.373,1247 7.486,1249 5.663,1251 0.162,1252 4.399,1253 -0.044,1257 48.998,1258 109.903,1259 264.53,1260 363.432,1261 417.49,1262 444.999,1263 450.999,1264 72.279,1265 8.105,1266 50.6,1267 50.6,1268 29,1269 12.848,1270 4.644,1271 3.807,1272 63.964,1273 222,1274 230,1275 0.137,1276 299.984,1277 521.26,1278 723.721,1279 41619,1281 27.788,1282 0.695,1283 0.587,1284 27.788,1285 23.491,1286 19.554,1287 0.444,1288 0.325,1289 14.167,1290 19.006,1291 13.788,1292 11.456,1293 19.554,1294 14.316,1295 17.07,1296 0.284,1297 0.185,1298 17.07,1299 11.092,1300 14.529,1301 0.184,1302 0.105,1303 14.529,1304 8.261,1305 11.928,1306 0.119,1307 0.058,1308 11.928,1309 5.841,1310 9.691,1311 0.079,1312 0.034,1313 9.691,1314 4.188,1315 0.221,1316 120.987,1317 0.183,1318 36.345,1319 0.363,1320 208,1321 500.052,1322 223.109,1323 490.077,1324 678.83,1325 462,1326 243,1327 502.006,1328 259.5,1329 514.046,1330 749.08,1331 482,1332 6}
{0 CHEMBL105975,1 1.545,2 18.34,3 6.229,4 38.799,5 183.823,6 7.374,7 0.423,8 4.573,9 4.695,10 4.133,11 4.116,12 5.606,13 4.085,14 5.155,15 5.332,16 4.511,17 4.545,18 6.168,19 4.481,20 5.459,21 5.68,22 4.575,23 4.715,24 6.382,25 4.616,26 5.581,27 5.811,28 4.542,29 4.726,30 6.577,31 4.615,32 5.61,33 5.855,34 4.569,35 4.719,36 6.554,37 4.612,38 5.609,39 5.852,40 4.634,41 4.729,42 6.625,43 4.633,44 5.584,45 5.822,46 4.639,47 4.75,48 6.607,49 4.651,50 5.582,51 5.815,52 4.655,53 4.778,54 6.593,55 4.659,56 0.023,57 1.284,58 18.745,59 8.257,60 10.875,61 11.083,62 0.603,63 2.145,64 37.42,65 14.066,66 48.398,67 19.567,68 0.435,69 2.684,70 55.08,71 19.68,72 60.556,73 27.433,74 0.822,75 2.859,76 63.732,77 21.586,78 134.117,79 29.538,80 0.789,81 2.887,82 67.863,83 22.378,84 110.064,85 30.769,86 0.959,87 2.924,88 69.741,89 21.576,90 121.649,91 30.132,92 0.897,93 2.903,94 66,95 21.318,96 115.161,97 29.748,98 0.769,99 2.865,100 66.274,101 22.586,102 121.867,103 31.125,104 27,105 72,106 0.229,107 0.54,108 0.738,109 0.848,110 0.884,111 0.884,112 3.874,113 0.974,114 -4.65,115 -4.57,116 -4.3,119 41.6,120 1,121 4,122 1,125 6,127 2,138 13,139 4,140 1,147 1,148 1,151 1,152 2,163 18,165 5,166 8,169 2,171 4,172 22,176 7,179 1,181 4,183 15,186 2,187 18,192 3,194 11,197 1,198 15,202 1,203 3,205 6,208 2,209 16,212 2,214 4,217 8,220 2,221 14,224 2,226 2,227 15,231 13,236 3,238 15,241 1,242 12,247 4,249 17,252 5946,253 32.162,254 32.162,255 32.162,256 32.162,257 32.162,258 29.136,259 36.99,260 18.989,261 32.829,262 25.597,263 25.597,264 25.597,265 25.597,266 25.597,267 20.996,268 45.939,269 8.933,270 26.625,271 4.931,272 2.826,273 1.49,274 0.748,275 0.503,276 0.503,277 4.583,279 1,283 1,284 1894,285 4.69,287 286.341,288 734.263,291 243.301,295 2.646,296 49.379,299 0.75,300 0.33,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.62,307 100.833,308 862,309 4.533,310 4.018,311 6.677,312 4.159,313 3.187,314 4.474,315 2.224,316 10.705,317 3.096,318 4.313,319 3.801,320 6.518,321 4.019,322 3.038,323 3.713,324 2.035,325 10.227,326 2.972,327 4.132,328 3.335,329 6.441,330 3.922,331 2.984,332 3.499,333 1.597,334 9.883,335 2.808,336 4.083,337 3.151,338 6.153,339 3.829,340 2.844,341 3.451,342 0.869,343 9.107,344 2.785,345 3.886,346 3.127,347 5.478,348 3.516,349 2.541,350 3.189,351 0.8,352 7.069,353 2.492,354 3.582,355 2.92,356 5.393,357 3.401,358 2.462,359 2.793,360 0.501,361 6.943,362 2.292,363 3.494,364 2.788,365 5.335,366 3.21,367 2.274,368 2.745,369 0.495,370 6.879,371 2.144,372 3.441,373 2.75,374 5.072,375 3.094,376 2.132,377 2.551,379 6.058,380 1.989,381 3.265,382 2.563,383 5.035,384 2.901,385 1.948,386 2.401,388 5.584,389 1.846,390 3.118,391 2.351,392 4.973,393 2.843,394 1.832,395 2.318,397 5.556,398 1.825,399 3.046,400 1.952,401 4.645,402 2.565,403 1.602,404 2.167,406 4.575,407 1.516,408 2.907,409 1.79,410 4.243,411 2.518,412 1.546,413 2.044,415 3.812,416 1.498,417 2.859,418 1.746,419 4.156,420 2.492,421 1.506,422 1.919,424 3.673,425 1.482,426 2.723,427 1.564,428 3.898,429 2.361,430 1.398,431 1.786,433 3.225,434 1.303,435 2.603,436 1.546,437 3.59,438 2.152,439 1.192,440 1.641,442 2.758,443 1.137,444 22.548,445 0.48,446 1.041,447 0.022,448 55.25,449 1.176,450 24.5,451 0.521,452 30.75,453 0.654,454 53.182,455 1.132,456 51.252,457 0.576,458 48.855,459 1.039,460 10.799,461 0.23,462 12.091,463 0.257,464 0.098,466 0.319,472 0.712,473 1.397,474 0.721,475 1.094,476 0.528,477 0.992,478 0.669,479 1.093,480 0.835,481 0.967,482 0.502,483 0.991,484 0.889,485 1.109,486 0.952,487 1.074,488 0.786,489 1.047,490 1.277,491 1.051,492 1.008,493 1.029,494 1.234,495 1.061,496 1.276,497 1,498 0.936,499 0.94,500 1.211,501 0.937,502 1.224,503 0.989,504 0.997,505 0.925,506 1.272,507 0.908,508 1.132,509 0.945,510 0.963,511 0.916,512 1.325,513 0.931,514 0.968,515 1.018,516 0.954,517 1.032,518 1.075,519 1.031,520 8.5,521 0.341,522 5.556,523 3.368,524 1.938,525 1.813,526 1.215,527 0.938,528 0.614,529 0.423,530 46006,531 115063,532 2.114,533 47.2,535 27,536 1,538 2,540 8,541 4,542 1.838,543 2,544 4.051,545 0.074,550 137.504,551 1.545,552 3.65,553 4.986,554 5.728,555 5.973,556 5.973,557 3.539,558 5.384,559 5.523,560 4.31,561 4658.72,562 9.808,563 95078.3,568 576.34,569 1.329,570 5.495,571 0.163,572 0.006,573 0.077,574 0.046,575 0.028,576 0.026,577 0.016,578 0.012,579 0.009,580 0.007,581 0.39,582 0.17,583 0.63,584 0.58,585 282.02,586 -0.021,587 -0.176,588 0.043,589 -0.049,590 -0.009,591 0.004,592 0.193,593 0.066,594 0.001,595 0.019,596 0.093,597 -0.025,598 -0.03,599 -0.06,600 -0.038,601 -0.086,602 -0.007,603 -0.061,604 -0.101,605 -0.057,606 -0.098,607 -0.07,608 -0.038,609 -0.099,610 -0.093,611 -0.04,612 0.017,613 0.019,614 -0.063,615 0.03,616 -0.022,618 0.021,619 0.029,620 -0.008,621 0.049,622 -0.022,623 0.066,624 0.01,625 0.042,626 -0.033,627 0.031,628 0.014,629 -0.029,630 0.032,631 -0.038,632 0.022,633 -0.04,634 2.022,635 6.582,636 0.681,637 73.756,638 0.999,639 1.125,640 3.422,641 11.709,642 0.665,643 3.97,644 4.29,645 4.575,646 4.82,647 4.997,648 5.043,649 5.215,650 5.357,651 5.429,652 5.565,653 10.449,654 0.627,655 656.29,656 3.97,657 5.517,658 6.372,659 7.245,660 8.112,661 8.99,662 9.863,663 10.744,664 11.621,665 12.504,666 5.6,669 1,673 3,674 1,680 2,681 14,683 1,686 4,688 22,702 1,703 89,705 25,706 3,707 52,709 94,710 37,711 20,712 5,713 13,717 6,718 7,719 1,720 1,721 1,724 4,727 6,729 23,730 14,731 1,733 3,737 3,741 3,747 42,748 8,749 2,750 10,751 1,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,792 1,793 1,796 5,801 1,802 1,805 47,810 10,811 1,812 1,814 3,815 3,824 1,825 4.5,828 3,830 1,832 23.5,833 15.826,834 10.389,835 5.669,836 2.694,837 1.307,838 0.982,839 11.071,840 11.482,841 4.205,842 4.738,843 5.253,844 5.75,845 6.161,846 6.264,847 6.587,848 6.905,849 6.914,850 7.163,851 1,852 74,853 17.579,854 7.621,855 7.704,856 33.889,857 28.577,859 2.204,860 103.611,864 470.844,865 199.84,866 44.169,867 39.149,868 86.435,871 199.84,872 596.427,873 44.169,874 8.825,875 49.518,876 132.239,877 80.139,878 46.54,879 24.954,880 459.073,881 39.149,882 470.844,883 244.01,884 86.435,885 39.149,887 329.591,888 227.688,891 78.253,892 165.756,893 39.149,895 470.844,896 130.604,897 238.989,900 470.844,901 58.776,902 150.437,903 34.796,904 125.583,905 470.844,906 130.604,907 238.989,909 0.579,910 0.345,911 0.186,912 0.096,913 33,914 15,915 0.138,916 13,917 1,918 1.063,919 5.59,920 492.581,921 0.063,922 32,923 249.066,928 33.384,929 15.586,930 8.139,931 2.061,932 113.818,933 27.305,935 3.255,938 3.605,940 34.796,941 840.437,942 66,946 39.655,950 -0.828,952 88.93,953 100.162,954 0.239,955 0.564,956 0.77,957 0.885,958 0.922,959 0.922,960 5.453,961 2.132,962 6.347,963 6.879,964 4.977,965 5.427,966 3.179,967 7.149,968 4.903,969 6.624,970 1.948,971 7.901,972 6.058,973 4.511,974 5.121,975 2.59,976 8.03,977 4.385,978 7.911,979 1.832,980 9.555,981 5.584,982 6.564,983 7.514,984 4.228,985 11.13,986 6.421,987 9.229,988 1.602,989 11.269,990 5.556,991 6.948,992 8.071,993 4.296,994 12.864,995 6.759,996 10.581,997 1.546,998 13.022,999 4.575,1000 8.44,1001 9.94,1002 5.542,1003 15.464,1004 8.233,1005 11.957,1006 1.506,1007 14.803,1008 3.812,1009 9.216,1010 10.929,1011 5.913,1012 17.546,1013 8.97,1014 13.353,1015 1.398,1016 16.604,1017 3.673,1018 10.482,1019 12.578,1020 6.962,1021 19.976,1022 10.215,1023 3.187,1024 1.192,1025 18.419,1026 3.225,1027 11.443,1028 13.801,1029 7.497,1030 22.203,1031 11.14,1032 3.038,1033 10.705,1034 20.246,1035 2.758,1036 12.617,1037 15.352,1038 8.439,1039 24.573,1040 12.291,1041 2.984,1042 10.227,1043 22.083,1044 4.474,1045 13.664,1046 16.701,1047 9.07,1048 26.862,1049 13.306,1050 2.844,1051 9.883,1052 23.927,1053 3.713,1054 14.804,1055 18.211,1056 9.949,1057 29.21,1058 14.42,1059 2.541,1060 9.107,1061 25.777,1062 3.499,1063 15.892,1064 19.628,1065 10.639,1066 31.527,1067 15.478,1068 2.462,1069 7.069,1070 27.632,1071 3.451,1072 17.02,1073 21.123,1074 11.482,1075 33.869,1076 16.579,1077 2.274,1078 6.943,1079 29.491,1080 3.189,1081 18.128,1082 22.576,1083 12.208,1084 36.199,1085 17.658,1086 42551,1087 67514,1088 35.194,1089 59.171,1090 78.358,1091 80.317,1092 79.98,1093 77.627,1094 77.421,1095 96.569,1096 17.04,1097 220.514,1098 74.534,1099 5.533,1100 6.018,1101 6.479,1102 5.233,1103 5.187,1104 7.474,1105 3.973,1106 17.772,1107 5.096,1108 21.676,1109 1.507,1110 1.545,1111 1.538,1112 1.493,1113 1.489,1114 1.857,1115 0.328,1116 4.241,1117 1.433,1118 4.139,1119 4.174,1120 4.095,1121 4.052,1122 7.447,1123 4.057,1124 3.99,1125 4.031,1126 4.011,1127 3.91,1128 7.432,1129 3.903,1130 3.914,1131 3.947,1132 3.855,1133 3.844,1134 7.409,1135 3.837,1136 3.865,1137 3.915,1138 3.805,1139 3.723,1140 4.975,1141 3.725,1142 3.817,1143 3.853,1144 3.767,1145 3.618,1146 4.934,1147 3.647,1148 3.616,1149 3.678,1150 3.542,1151 3.44,1152 4.774,1153 3.437,1154 3.484,1155 3.544,1156 3.425,1157 3.324,1158 4.418,1159 3.327,1160 3.407,1161 3.464,1162 3.316,1163 3.259,1164 4.36,1165 3.262,1166 0.087,1167 0.077,1168 0.128,1169 0.08,1170 0.061,1171 4.533,1172 0.086,1173 4.018,1174 0.043,1175 6.677,1176 0.206,1177 4.159,1178 0.06,1179 3.187,1180 4.474,1181 2.224,1182 10.705,1183 3.096,1184 1.945,1185 1.919,1186 2.082,1187 2.069,1188 1.444,1189 2.077,1190 1.939,1191 1.914,1192 2.038,1193 2.018,1194 1.34,1195 2.026,1196 1.905,1197 1.877,1198 2.034,1199 2.007,1200 1.235,1201 2.017,1202 1.844,1203 1.786,1204 2.019,1205 1.983,1206 1.133,1207 2,1208 1.671,1209 1.626,1210 1.834,1211 1.851,1212 1.035,1213 1.847,1214 1.605,1215 1.55,1216 1.826,1217 1.804,1218 1.02,1219 1.812,1220 1.504,1221 1.434,1222 1.769,1223 1.745,1224 0.964,1225 1.742,1226 1.343,1227 1.289,1228 1.55,1229 1.591,1230 0.825,1231 1.582,1232 4.654,1233 5.974,1234 3.045,1235 7.48,1236 5.476,1237 9.067,1238 7.6,1239 10.695,1241 1.993,1242 6.389,1247 6.555,1248 2.923,1249 5.631,1251 -0.557,1252 5.625,1257 55.803,1258 137.504,1259 324.846,1260 443.731,1261 509.811,1262 531.585,1263 531.585,1264 109.564,1265 8.788,1266 97.98,1267 97.98,1268 34,1269 13.039,1270 4.7,1271 3.907,1272 73.155,1273 286,1274 336,1275 0.116,1276 341.56,1277 601.95,1278 825.166,1279 102070,1280 1.1,1281 32.752,1282 0.697,1283 0.585,1284 33.252,1285 27.495,1286 22.889,1287 0.44,1288 0.325,1289 16.347,1290 21.834,1291 15.984,1292 13.159,1293 23.178,1294 16.891,1295 20.294,1296 0.282,1297 0.179,1298 20.702,1299 12.891,1300 17.53,1301 0.183,1302 0.101,1303 17.792,1304 9.736,1305 14.58,1306 0.119,1307 0.058,1308 14.834,1309 7.083,1310 11.346,1311 0.077,1312 0.034,1313 11.56,1314 4.932,1315 0.188,1316 145.702,1317 0.169,1318 41.491,1319 0.304,1320 248,1321 678.747,1322 285.554,1323 682.02,1324 918,1325 638,1326 292,1327 643.973,1328 324.464,1329 659.813,1330 968.74,1331 622,1332 6}
{0 CHEMBL106803,1 1.509,2 17.095,3 5.792,4 33.551,5 164.406,6 7.187,7 0.478,8 4.452,9 4.574,10 3.993,11 3.98,12 5.537,13 3.953,14 5.012,15 5.188,16 4.327,17 4.385,18 6.107,19 4.329,20 5.301,21 5.525,22 4.386,23 4.559,24 6.208,25 4.465,26 5.459,27 5.7,28 4.356,29 4.582,30 6.405,31 4.473,32 5.458,33 5.709,34 4.34,35 4.574,36 6.383,37 4.458,38 5.445,39 5.696,40 4.356,41 4.599,42 6.346,43 4.481,44 5.451,45 5.703,46 4.367,47 4.649,48 6.356,49 4.518,50 5.463,51 5.725,52 4.315,53 4.663,54 6.284,55 4.513,56 0.108,57 1.15,58 16.775,59 7.251,60 14.167,61 9.811,62 0.541,63 1.883,64 32.081,65 11.84,66 64.084,67 16.562,68 0.264,69 2.369,70 44.372,71 16.414,72 48.557,73 23.474,74 0.641,75 2.554,76 54.905,77 18.517,78 95.751,79 26.041,80 0.62,81 2.506,82 55.339,83 19.226,84 103.057,85 27.041,86 0.743,87 2.558,88 54.23,89 18.626,90 92.529,91 26.74,92 0.696,93 2.645,94 53.667,95 19.432,96 94.557,97 28.146,98 0.479,99 2.658,100 54.14,101 20.557,102 65.334,103 29.775,104 22,105 62,106 0.228,107 0.53,108 0.716,109 0.821,110 0.857,111 0.857,112 3.764,113 0.943,114 -5.52,115 -5.39,116 -5.04,119 41.8,121 3,122 1,125 6,127 1,133 1,134 1,138 13,139 2,140 1,142 1,148 1,152 1,153 1,159 2,163 16,165 5,166 12,172 16,176 16,183 10,186 1,187 21,194 8,197 1,198 14,205 9,208 3,209 11,217 12,220 3,221 8,227 19,230 2,231 7,238 20,241 5,242 9,249 12,252 3962,253 28.852,254 28.852,255 28.852,256 28.852,257 28.852,258 25.681,259 34.929,260 17.347,261 29.392,262 22.674,263 22.674,264 22.674,265 22.674,266 22.674,267 17.98,268 43.929,269 8.135,270 23.525,271 4.795,272 2.795,273 1.569,274 0.875,275 0.633,276 0.633,277 4.469,284 1561,285 4.796,287 119.131,288 654.473,291 220.732,295 2.71,296 39.953,299 0.5,300 0.5,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.58,307 90.5,308 718,309 4.53,310 3.806,311 6.543,312 4.041,313 3.088,314 4.474,315 2.612,316 10.343,317 2.949,318 4.256,319 3.778,320 6.447,321 3.928,322 2.989,323 3.951,324 2.226,325 9.928,326 2.802,327 4.087,328 3.187,329 6.133,330 3.8,331 2.808,332 3.55,333 0.908,334 9.025,335 2.778,336 4.068,337 2.987,338 5.929,339 3.758,340 2.783,341 3.268,342 0.8,343 8.227,344 2.713,345 3.768,346 2.907,347 5.385,348 3.423,349 2.489,350 3.17,351 0.648,352 7.037,353 2.333,354 3.539,355 2.775,356 5.301,357 3.325,358 2.356,359 2.782,360 0.077,361 6.798,362 2.268,363 3.427,364 2.595,365 5.131,366 3.011,367 2.045,368 2.569,370 6.023,371 1.977,372 3.165,373 2.114,374 4.978,375 2.902,376 1.942,377 2.327,379 5.581,380 1.846,381 3.073,382 2.02,383 4.451,384 2.719,385 1.741,386 2.315,388 4.429,389 1.696,390 3.045,391 1.859,392 4.14,393 2.515,394 1.546,395 2.142,397 3.705,398 1.497,399 2.938,400 1.774,401 3.97,402 2.41,403 1.443,404 2.028,406 3.294,407 1.389,408 2.773,409 1.546,410 3.776,411 2.265,412 1.268,413 1.729,415 2.919,416 1.262,417 2.656,418 1.419,419 3.586,420 2.202,421 1.213,422 1.704,424 2.804,425 1.199,426 2.5,427 1.252,428 3.507,429 2.098,430 1.122,431 1.5,433 2.649,434 1.092,435 2.5,436 1.172,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 19.833,445 0.472,446 0.832,447 0.02,448 52.75,449 1.256,450 25.5,451 0.607,452 27.25,453 0.649,454 40.757,455 0.97,456 45.567,457 0.577,458 44.963,459 1.071,460 10.531,461 0.251,462 9.981,463 0.238,464 0.076,466 0.282,472 0.558,473 1.386,474 0.791,475 1.15,476 0.51,477 1.029,478 0.715,479 1.109,480 0.971,481 1.018,482 0.421,483 1.019,484 0.746,485 1.175,486 0.968,487 1.131,488 0.5,489 1.08,490 1.226,491 0.989,492 1.101,493 1.018,494 1.02,495 1.034,496 1.119,497 0.966,498 0.989,499 0.968,500 0.954,501 0.966,502 0.965,503 0.941,504 0.998,505 0.917,506 0.847,507 0.957,508 0.644,509 0.963,510 0.974,511 0.981,512 0.622,513 1.015,514 0.534,515 0.967,516 0.949,517 1.03,518 0.45,519 1.047,520 7,521 0.31,522 4.889,523 2.229,524 1.573,525 1.365,526 0.878,527 0.502,528 0.381,529 0.368,530 33995,531 90499,532 2.102,533 46.8,535 29,537 1,540 3,541 4,542 1.81,543 2,544 3.989,545 -0.781,550 119.174,551 1.509,552 3.509,553 4.734,554 5.429,555 5.671,556 5.671,557 3.505,558 4.815,559 5.363,560 4.242,561 3652.05,562 9.474,563 69698.4,568 497.999,569 1.268,570 5.338,571 0.152,572 0.007,573 0.079,574 0.035,575 0.027,576 0.023,577 0.014,578 0.008,579 0.006,580 0.007,581 0.359,582 0.17,583 0.5,584 0.789,585 245.22,586 0.148,587 -0.175,588 0.075,589 -0.064,590 0.021,591 -0.022,592 0.175,593 0.039,594 -0.04,595 -0.006,596 0.187,597 -0.046,598 -0.022,599 -0.123,600 -0.028,601 -0.123,602 0.049,603 -0.079,604 -0.131,605 -0.009,606 -0.096,607 -0.048,608 -0.053,609 -0.061,610 -0.077,611 -0.026,612 0.015,613 0.017,614 -0.021,615 0.026,616 -0.025,617 0.038,618 -0.008,619 0.061,620 -0.043,621 0.032,622 0.073,623 0.033,624 -0.015,625 0.016,626 0.027,627 -0.006,628 0.038,629 0.008,630 -0.005,631 -0.015,632 0.013,633 -0.016,634 2.447,635 6.006,636 0.643,637 58.968,638 0.999,639 1.126,640 4.288,641 18.39,642 0.659,643 3.85,644 4.143,645 4.407,646 4.625,647 4.82,648 4.852,649 4.984,650 5.075,651 5.136,652 5.247,653 9.986,654 0.625,655 567.75,656 3.85,657 5.38,658 6.221,659 7.079,660 7.935,661 8.798,662 9.659,663 10.524,664 11.388,665 12.255,666 6.3,669 1,673 1,674 1,676 1,677 1,680 2,681 14,682 1,686 3,687 1,688 22,698 1,703 79,705 26,706 3,707 46,709 83,710 33,711 19,712 5,713 13,717 5,718 6,724 3,727 4,729 22,730 11,731 1,733 4,734 1,735 1,737 3,739 1,741 1,747 37,748 7,750 9,753 1,755 5,760 0.8,761 4,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,805 42,810 9,812 1,814 2,815 2,825 5.1,828 1,830 1,831 2,832 21,833 13.833,834 9.417,835 4.821,836 2.864,837 1.346,838 0.968,839 10.146,840 11.132,841 4.127,842 4.666,843 5.182,844 5.691,845 6.145,846 6.294,847 6.611,848 6.865,849 6.954,850 7.214,851 1,852 64,853 15.578,854 6.59,855 7.754,856 29.986,857 24.775,859 2.254,860 94.667,864 435.531,865 199.956,866 30.603,868 86.892,871 199.956,872 522.423,873 30.603,874 5.67,875 41.616,876 132.667,877 62.32,878 27.295,879 8.907,880 423.76,881 50.747,882 435.531,883 230.559,884 86.892,887 353.133,888 118.543,889 50.747,891 41.635,892 156.993,893 31.932,895 435.531,896 117.495,897 199.956,900 435.531,901 42.903,902 155.104,904 119.444,905 435.531,906 117.495,907 199.956,909 0.571,910 0.335,911 0.179,912 0.097,913 27,914 12,915 0.157,916 13,917 1,918 1.074,919 5.25,920 409.305,921 0.074,922 27,923 210.477,928 29.654,929 14.37,930 7.726,931 2.17,932 109.926,933 26.956,934 4.588,938 2.049,939 2.259,941 752.982,942 61,943 3.834,944 -0.447,946 34.769,948 1.726,950 -0.386,952 78.956,953 88.972,954 0.239,955 0.557,956 0.751,957 0.861,958 0.9,959 0.9,960 5.349,961 1.942,962 6.18,963 6.023,964 4.828,965 5.354,966 3.18,967 6.954,968 4.755,969 6.521,970 1.741,971 7.716,972 5.581,973 4.29,974 5.047,975 2.792,976 7.799,977 4.164,978 7.803,979 1.546,980 9.353,981 4.429,982 6.385,983 7.483,984 4.606,985 10.873,986 6.231,987 9.119,988 1.443,989 11.052,990 3.705,991 6.711,992 8.071,993 4.858,994 12.576,995 6.496,996 10.471,997 1.268,998 12.791,999 3.294,1000 8.224,1001 9.954,1002 6.282,1003 15.141,1004 7.986,1005 11.847,1006 1.213,1007 14.558,1008 2.919,1009 8.947,1010 10.975,1011 6.828,1012 17.187,1013 8.648,1014 13.243,1015 1.122,1016 16.344,1017 2.804,1018 10.218,1019 12.628,1020 8.045,1021 19.581,1022 9.893,1023 3.088,1024 1,1025 18.145,1026 2.649,1027 11.133,1028 13.871,1029 8.755,1030 21.774,1031 10.75,1032 2.989,1033 10.343,1034 19.956,1035 2.275,1036 12.298,1037 15.423,1038 9.857,1039 24.108,1040 11.883,1041 2.808,1042 9.928,1043 21.776,1044 4.474,1045 13.306,1046 16.782,1047 10.664,1048 26.364,1049 12.836,1050 2.783,1051 9.025,1052 23.603,1053 3.951,1054 14.428,1055 18.29,1056 11.701,1057 28.68,1058 13.92,1059 2.489,1060 8.227,1061 25.435,1062 3.55,1063 15.481,1064 19.709,1065 12.568,1066 30.966,1067 14.921,1068 2.356,1069 7.037,1070 27.272,1071 3.268,1072 16.586,1073 21.2,1074 13.569,1075 33.278,1076 15.984,1077 2.045,1078 6.798,1079 29.113,1080 3.17,1081 17.662,1082 22.652,1083 14.472,1084 35.578,1085 17.009,1086 31908,1087 52361,1088 31.205,1089 52.029,1090 68.701,1091 70.232,1092 69.773,1093 68.078,1094 68.036,1095 88.33,1096 14.54,1097 188.493,1098 65.697,1099 5.53,1100 5.806,1101 6.345,1102 5.121,1103 5.088,1104 7.474,1105 4.612,1106 17.134,1107 4.949,1108 18.852,1109 1.494,1110 1.527,1111 1.517,1112 1.48,1113 1.479,1114 1.92,1115 0.316,1116 4.098,1117 1.428,1118 4.126,1119 4.171,1120 4.084,1121 4.006,1122 7.815,1123 4.018,1124 3.998,1125 4.028,1126 3.954,1127 3.879,1128 7.433,1129 3.885,1130 3.933,1131 3.976,1132 3.856,1133 3.857,1134 6.999,1135 3.853,1136 3.873,1137 3.919,1138 3.781,1139 3.726,1140 5.04,1141 3.73,1142 3.651,1143 3.707,1144 3.562,1145 3.483,1146 4.758,1147 3.481,1148 3.548,1149 3.591,1150 3.481,1151 3.405,1152 4.728,1153 3.394,1154 3.523,1155 3.566,1156 3.398,1157 3.214,1158 4.7,1159 3.262,1160 3.377,1161 3.444,1162 3.253,1163 3.189,1164 4.368,1165 3.209,1166 0.098,1167 0.083,1168 0.142,1169 0.088,1170 0.067,1171 4.53,1172 0.097,1173 3.806,1174 0.057,1175 6.543,1176 0.225,1177 4.041,1178 0.064,1179 3.088,1180 4.474,1181 2.612,1182 10.343,1183 2.949,1184 1.966,1185 1.934,1186 2.101,1187 2.09,1188 1.446,1189 2.091,1190 1.928,1191 1.903,1192 2.041,1193 2.08,1194 1.351,1195 2.056,1196 1.899,1197 1.87,1198 2.027,1199 2.031,1200 1.147,1201 2.033,1202 1.847,1203 1.789,1204 2.002,1205 1.976,1206 1.112,1207 1.988,1208 1.628,1209 1.57,1210 1.839,1211 1.822,1212 1.002,1213 1.823,1214 1.562,1215 1.501,1216 1.789,1217 1.76,1218 0.906,1219 1.762,1220 1.381,1221 1.32,1222 1.596,1223 1.711,1224 0.825,1225 1.638,1226 1.333,1227 1.292,1228 1.513,1229 1.6,1230 0.803,1231 1.61,1232 4.533,1233 5.832,1234 2.398,1235 7.323,1236 4.727,1237 8.897,1238 6.823,1239 10.512,1247 6.891,1249 5.58,1251 0.43,1252 4.249,1257 49.395,1258 119.174,1259 277.213,1260 374.019,1261 428.879,1262 447.999,1263 447.999,1264 87.884,1265 8.268,1266 96.42,1267 96.42,1268 29,1269 12.801,1270 4.755,1271 4,1272 69.066,1273 256,1274 262,1275 0.128,1276 302.251,1277 529.9,1278 729.252,1279 53156,1281 29.313,1282 0.698,1283 0.566,1284 29.313,1285 23.755,1286 20.512,1287 0.446,1288 0.314,1289 14.271,1290 19.713,1291 13.998,1292 11.581,1293 20.512,1294 14.463,1295 17.83,1296 0.288,1297 0.174,1298 17.83,1299 10.774,1300 15.064,1301 0.186,1302 0.1,1303 15.064,1304 8.077,1305 12.22,1306 0.121,1307 0.057,1308 12.22,1309 5.728,1310 9.833,1311 0.08,1312 0.033,1313 9.833,1314 4.099,1315 0.208,1316 128.637,1317 0.179,1318 38.103,1319 0.331,1320 216,1321 623.168,1322 237.285,1323 598.975,1324 807.8,1325 558,1326 251,1327 591.371,1328 273.152,1329 593.672,1330 859.95,1331 556,1332 6}
{0 CHEMBL106907,1 1.457,2 18.277,3 5.838,4 34.085,5 183.417,6 6.912,7 0.423,8 4.599,9 4.726,10 4.105,11 4.131,12 5.618,13 4.097,14 5.183,15 5.368,16 4.481,17 4.563,18 6.168,19 4.498,20 5.491,21 5.711,22 4.561,23 4.752,24 6.396,25 4.654,26 5.661,27 5.9,28 4.544,29 4.791,30 6.623,31 4.674,32 5.696,33 5.95,34 4.595,35 4.793,36 6.624,37 4.683,38 5.7,39 5.947,40 4.616,41 4.797,42 6.707,43 4.695,44 5.677,45 5.934,46 4.575,47 4.803,48 6.643,49 4.686,50 5.653,51 5.909,52 4.49,53 4.802,54 6.553,55 4.666,56 0.052,57 1.334,58 20.545,59 8.643,60 12.597,61 11.898,62 0.644,63 2.229,64 39.445,65 14.575,66 50.251,67 20.799,68 0.42,69 2.834,70 54.637,71 20.199,72 54.979,73 28.86,74 0.858,75 3.122,76 67.405,77 22.929,78 133.524,79 32.556,80 0.778,81 3.184,82 70.383,83 23.763,84 106.412,85 33.939,86 1.01,87 3.23,88 71.011,89 22.814,90 136.947,91 32.801,92 0.885,93 3.188,94 68.818,95 23.196,96 120.213,97 33.623,98 0.639,99 3.098,100 66.502,101 23.864,102 102.673,103 34.192,104 27,105 73,106 0.214,107 0.518,108 0.704,109 0.811,110 0.855,111 0.865,112 3.874,113 0.967,114 -4.38,115 -4.32,116 -4.07,119 41.3,120 2,121 4,123 1,125 6,127 2,138 14,139 4,147 1,148 1,151 1,152 2,163 21,165 5,166 8,169 2,171 4,172 24,176 8,179 1,181 4,183 17,186 2,187 19,192 3,194 12,197 1,198 18,202 1,203 4,205 6,208 2,209 16,212 2,214 4,217 11,220 2,221 15,224 2,226 3,227 16,231 12,236 2,238 19,241 1,242 12,247 5,249 16,252 5859,253 32.084,254 32.084,255 32.084,256 32.084,257 32.084,258 29.097,259 36.602,260 18.896,261 32.612,262 25.575,263 25.575,264 25.575,265 25.575,266 25.575,267 21.069,268 46.964,269 8.854,270 26.331,271 5.067,272 3.004,273 1.742,274 1.011,275 0.712,276 0.647,277 4.582,283 1,284 1888,285 4.95,287 286.849,288 735.54,291 243.44,295 2.701,296 46.209,299 0.75,300 0.33,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.62,307 100.5,308 859,309 4.561,310 4.03,311 7.489,312 4.459,313 3.467,314 4.474,315 2.224,316 13.309,317 3.442,318 4.526,319 3.801,320 6.65,321 4.119,322 3.138,323 3.831,324 2.035,325 10.589,326 3.075,327 4.25,328 3.626,329 6.513,330 3.985,331 3.007,332 3.486,333 1.597,334 10.179,335 2.929,336 4.083,337 3.332,338 6.441,339 3.921,340 2.982,341 3.451,342 0.869,343 9.882,344 2.791,345 3.886,346 3.13,347 5.49,348 3.516,349 2.539,350 3.189,351 0.8,352 7.068,353 2.492,354 3.55,355 2.915,356 5.396,357 3.393,358 2.454,359 2.803,360 0.501,361 6.942,362 2.288,363 3.479,364 2.77,365 5.337,366 3.164,367 2.18,368 2.753,369 0.495,370 6.868,371 2.14,372 3.42,373 2.568,374 5.078,375 3.04,376 2.044,377 2.543,379 5.686,380 2.034,381 3.265,382 2.356,383 5.026,384 2.896,385 1.939,386 2.398,388 5.587,389 1.846,390 3.11,391 2.098,392 4.96,393 2.842,394 1.828,395 2.318,397 5.393,398 1.833,399 3.046,400 1.897,401 4.63,402 2.528,403 1.556,404 2.158,406 4.483,407 1.506,408 2.905,409 1.746,410 4.169,411 2.515,412 1.544,413 2.036,415 3.72,416 1.49,417 2.791,418 1.689,419 3.906,420 2.49,421 1.503,422 1.834,424 3.233,425 1.481,426 2.653,427 1.546,428 3.692,429 2.235,430 1.242,431 1.711,433 2.832,434 1.232,435 2.565,436 1.534,437 3.672,438 2.146,439 1.179,440 1.576,442 2.76,443 1.137,444 22.333,445 0.475,446 1.089,447 0.023,448 55,449 1.17,450 24.5,451 0.521,452 30.5,453 0.649,454 54.254,455 1.154,456 51.467,457 0.559,458 49.298,459 1.049,460 10.705,461 0.228,462 12.137,463 0.258,464 0.09,465 0.022,466 0.278,472 0.737,473 1.401,474 0.848,475 1.158,476 0.544,477 1.034,478 0.679,479 1.065,480 0.94,481 0.985,482 0.509,483 0.987,484 0.877,485 1.163,486 1.019,487 1.14,488 0.777,489 1.096,490 1.298,491 1.041,492 1.126,493 1.045,494 1.208,495 1.059,496 1.248,497 1.003,498 0.965,499 0.956,500 1.13,501 0.931,502 1.392,503 1,504 1.053,505 0.933,506 1.501,507 0.947,508 1.087,509 0.933,510 0.987,511 0.923,512 1.238,513 0.935,514 1.027,515 0.983,516 1.024,517 1.005,518 1.117,519 1.013,520 9,521 0.354,522 6.222,523 3.806,524 2.159,525 2.067,526 1.278,527 0.913,528 0.625,529 0.538,530 45494,531 105365,532 2.109,533 48.9,534 3,535 28,536 1,538 2,540 7,541 4,542 1.838,543 1.993,544 4.056,545 0.053,550 134.003,551 1.457,552 3.519,553 4.781,554 5.512,555 5.811,556 5.877,557 3.555,558 5.299,559 5.522,560 4.303,561 4651.51,562 9.805,563 93927.5,568 600.168,569 1.42,570 5.491,571 0.173,572 0.006,573 0.085,574 0.05,575 0.03,576 0.027,577 0.017,578 0.012,579 0.009,580 0.009,581 0.418,582 0.17,583 0.63,584 0.58,585 281.432,586 -0.01,587 -0.172,588 0.063,589 -0.05,590 -0.013,591 0.005,592 0.228,593 0.094,594 0.019,595 0.041,596 0.093,597 0.006,598 -0.015,599 -0.099,600 -0.056,601 -0.124,602 -0.005,603 -0.096,604 -0.087,605 -0.046,606 -0.113,607 -0.071,608 -0.03,609 -0.091,610 -0.055,611 -0.039,612 0.053,613 0.01,614 -0.016,615 0.038,616 -0.068,617 -0.008,618 -0.021,619 0.015,620 -0.051,621 0.003,622 -0.007,623 0.059,624 0.019,625 0.04,627 0.035,628 -0.082,629 -0.009,630 -0.039,631 -0.014,632 -0.059,633 -0.018,634 1.999,635 6.683,636 0.681,637 74.332,638 0.994,639 1.126,640 3.154,641 9.947,642 0.653,643 3.97,644 4.304,645 4.595,646 4.836,647 5.024,648 5.056,649 5.231,650 5.361,651 5.442,652 5.568,653 10.352,654 0.614,655 635.88,656 3.97,657 5.525,658 6.385,659 7.268,660 8.143,661 9.03,662 9.913,663 10.803,664 11.691,665 12.584,666 5.4,669 1,673 3,674 1,680 2,681 15,683 1,686 3,688 22,703 92,705 25,706 3,707 52,709 97,710 38,711 20,712 4,713 14,717 6,718 7,720 1,721 2,722 1,724 4,727 6,729 23,730 15,733 3,737 3,741 3,747 45,748 8,749 2,750 9,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,792 1,793 1,796 5,801 2,805 47,810 10,811 1,812 1,814 2,815 3,816 1,825 4.3,828 3,830 1,832 23.583,833 16.683,834 10.361,835 5.835,836 2.671,837 1.305,838 0.973,839 10.535,840 11.439,841 4.205,842 4.738,843 5.256,844 5.746,845 6.161,846 6.245,847 6.593,848 6.889,849 6.903,850 7.142,851 1,852 76,853 17.594,854 7.626,855 7.665,856 34.064,857 28.8,859 2.165,860 101.75,864 506.157,865 214.641,866 44.169,868 86.435,871 214.641,872 592.592,873 44.169,874 17.65,875 49.518,876 141.715,877 80.139,878 43.039,879 24.954,880 494.386,882 506.157,883 258.81,884 86.435,887 376.675,888 215.917,891 87.079,892 171.732,895 506.157,896 130.604,897 214.641,900 506.157,901 55.276,902 168.738,903 34.796,904 86.435,905 506.157,906 130.604,907 214.641,909 0.581,910 0.35,911 0.187,912 0.098,913 34,914 15,915 0.134,916 13,917 1,918 1.063,919 5.539,920 498.113,921 0.063,922 32,923 249.066,928 33.109,929 14.955,930 7.683,931 2.083,932 113.818,933 29.889,935 3.268,938 3.099,940 34.796,941 851.402,942 66,946 39.883,950 -0.772,952 91.49,953 103.633,954 0.223,955 0.539,956 0.733,957 0.845,958 0.891,959 0.901,960 5.462,961 2.044,962 6.382,963 6.868,964 4.99,965 5.427,966 3.179,967 7.226,968 4.935,969 6.644,970 1.939,971 7.967,972 5.686,973 4.635,974 5.147,975 2.59,976 8.364,977 4.562,978 7.945,979 1.828,980 9.664,981 5.587,982 6.642,983 7.522,984 4.228,985 11.444,986 6.534,987 9.282,988 1.556,989 11.434,990 5.393,991 7.163,992 8.105,993 4.296,994 13.473,995 7.043,996 10.656,997 1.544,998 13.254,999 4.483,1000 8.635,1001 9.961,1002 5.542,1003 16.135,1004 8.489,1005 12.055,1006 1.503,1007 15.108,1008 3.72,1009 9.539,1010 10.968,1011 5.913,1012 18.494,1013 9.385,1014 13.475,1015 1.242,1016 16.989,1017 3.233,1018 10.82,1019 12.61,1020 6.962,1021 21.059,1022 10.649,1023 3.467,1024 1.179,1025 18.891,1026 2.832,1027 11.891,1028 13.842,1029 7.497,1030 23.543,1031 11.715,1032 3.138,1033 13.309,1034 20.809,1035 2.76,1036 13.109,1037 15.389,1038 8.439,1039 26.095,1040 12.922,1041 3.007,1042 10.589,1043 22.74,1044 4.474,1045 14.253,1046 16.741,1047 9.07,1048 28.629,1049 14.062,1050 2.982,1051 10.179,1052 24.682,1053 3.831,1054 15.454,1055 18.247,1056 9.949,1057 31.189,1058 15.257,1059 2.539,1060 9.882,1061 26.633,1062 3.486,1063 16.632,1064 19.664,1065 10.639,1066 33.747,1067 16.433,1068 2.454,1069 7.068,1070 28.592,1071 3.451,1072 17.833,1073 21.156,1074 11.482,1075 36.316,1076 17.63,1077 2.18,1078 6.942,1079 30.558,1080 3.189,1081 19.029,1082 22.607,1083 12.208,1084 38.886,1085 18.824,1086 42071,1087 64224,1088 35.076,1089 60.074,1090 78.969,1091 80.642,1092 80.266,1093 77.791,1094 77.801,1095 96.794,1096 17.04,1097 225.585,1098 75.758,1099 5.561,1100 6.03,1101 7.291,1102 5.534,1103 5.467,1104 7.474,1105 3.973,1106 20.808,1107 5.442,1108 21.314,1109 1.519,1110 1.551,1111 1.544,1112 1.496,1113 1.496,1114 1.861,1115 0.328,1116 4.338,1117 1.457,1118 4.14,1119 4.176,1120 4.092,1121 4.053,1122 7.447,1123 4.058,1124 4.002,1125 4.044,1126 3.929,1127 3.92,1128 7.432,1129 3.915,1130 3.916,1131 3.951,1132 3.843,1133 3.844,1134 7.409,1135 3.838,1136 3.865,1137 3.916,1138 3.768,1139 3.722,1140 4.971,1141 3.724,1142 3.815,1143 3.854,1144 3.761,1145 3.62,1146 4.781,1147 3.647,1148 3.625,1149 3.686,1150 3.519,1151 3.472,1152 4.751,1153 3.467,1154 3.517,1155 3.579,1156 3.389,1157 3.332,1158 4.411,1159 3.339,1160 3.413,1161 3.469,1162 3.308,1163 3.269,1164 4.321,1165 3.275,1166 0.088,1167 0.077,1168 0.144,1169 0.086,1170 0.067,1171 4.561,1172 0.086,1173 4.03,1174 0.043,1175 7.489,1176 0.256,1177 4.459,1178 0.066,1179 3.467,1180 4.474,1181 2.224,1182 13.309,1183 3.442,1184 1.965,1185 1.934,1186 2.104,1187 2.078,1188 1.45,1189 2.089,1190 1.94,1191 1.917,1192 2.041,1193 2.022,1194 1.359,1195 2.03,1196 1.905,1197 1.877,1198 2.037,1199 2.017,1200 1.236,1201 2.025,1202 1.845,1203 1.786,1204 2.029,1205 1.986,1206 1.133,1207 2.002,1208 1.675,1209 1.629,1210 1.856,1211 1.852,1212 1.035,1213 1.85,1214 1.635,1215 1.581,1216 1.828,1217 1.816,1218 1.021,1219 1.825,1220 1.514,1221 1.442,1222 1.798,1223 1.757,1224 0.969,1225 1.762,1226 1.345,1227 1.293,1228 1.573,1229 1.601,1230 0.825,1231 1.583,1232 4.654,1233 5.984,1234 3.045,1235 7.507,1236 5.476,1237 9.112,1238 7.6,1239 10.759,1241 4.159,1247 6.717,1248 2.955,1249 5.645,1251 -0.457,1252 5.712,1253 -0.433,1257 56.502,1258 134.003,1259 323.781,1260 439.871,1261 507.148,1262 534.658,1263 540.658,1264 109.738,1265 8.769,1266 97.98,1267 97.98,1268 34,1269 13.112,1270 4.7,1271 3.907,1272 73.197,1273 283,1274 336,1275 0.118,1276 342.819,1277 604.04,1278 828.239,1279 99770,1281 32.805,1282 0.698,1283 0.582,1284 32.805,1285 27.361,1286 22.841,1287 0.439,1288 0.322,1289 16.57,1290 22.098,1291 16.158,1292 13.359,1293 22.841,1294 16.765,1295 20.421,1296 0.28,1297 0.179,1298 20.421,1299 13.066,1300 17.782,1301 0.181,1302 0.101,1303 17.782,1304 9.942,1305 14.61,1306 0.117,1307 0.057,1308 14.61,1309 7.088,1310 11.569,1311 0.077,1312 0.033,1313 11.569,1314 4.969,1315 0.19,1316 142.239,1317 0.169,1318 41.426,1319 0.309,1320 250,1321 652.543,1322 272.035,1323 629.112,1324 860.23,1325 590,1326 296,1327 629.11,1328 318.872,1329 637.553,1330 936.36,1331 600,1332 6}
{0 CHEMBL107128,1 1.542,2 18.375,3 6.497,4 42.21,5 188.238,6 7.426,7 0.415,8 4.583,9 4.704,10 4.148,11 4.133,12 5.635,13 4.102,14 5.156,15 5.329,16 4.523,17 4.556,18 6.182,19 4.493,20 5.463,21 5.68,22 4.588,23 4.727,24 6.397,25 4.629,26 5.596,27 5.829,28 4.562,29 4.739,30 6.592,31 4.631,32 5.606,33 5.846,34 4.613,35 4.74,36 6.583,37 4.639,38 5.626,39 5.859,40 4.668,41 4.76,42 6.673,43 4.67,44 5.606,45 5.838,46 4.665,47 4.787,48 6.642,49 4.686,50 5.626,51 5.87,52 4.683,53 4.809,54 6.626,55 4.689,56 0.023,57 1.291,58 18.67,59 8.308,60 12.428,61 11.077,62 0.597,63 2.154,64 36.936,65 14.061,66 48.561,67 19.403,68 0.41,69 2.712,70 54.793,71 19.917,72 62.735,73 27.561,74 0.854,75 2.919,76 64.836,77 21.876,78 138.388,79 29.834,80 0.708,81 2.925,82 66.806,83 22.564,84 113.289,85 30.842,86 1.014,87 2.995,88 70.386,89 21.988,90 133.858,91 30.105,92 0.865,93 3.002,94 66.591,95 22.138,96 120.455,97 30.597,98 0.827,99 2.994,100 69.778,101 23.627,102 128.905,103 32.646,104 28,105 73,106 0.227,107 0.554,108 0.756,109 0.853,110 0.888,111 0.888,112 3.895,113 0.962,114 -4.76,115 -4.67,116 -4.39,119 42.2,121 4,122 1,125 6,127 2,133 1,134 1,138 13,139 4,140 1,147 1,148 1,151 1,152 2,163 19,165 5,166 8,169 2,171 4,172 22,176 8,179 1,181 4,183 15,186 2,187 18,192 3,194 11,197 1,198 17,202 1,203 3,205 8,208 2,209 16,212 2,214 4,217 8,220 2,221 15,224 2,226 2,227 16,231 13,236 3,238 17,241 1,242 12,247 4,249 20,252 6196,253 32.869,254 32.869,255 32.869,256 32.869,257 32.869,258 29.714,259 37.907,260 19.602,261 33.501,262 26.135,263 26.135,264 26.135,265 26.135,266 26.135,267 21.33,268 46.91,269 9.242,270 27.154,271 4.95,272 2.732,273 1.363,274 0.709,275 0.467,276 0.467,277 4.604,279 1,283 1,284 1933,285 4.796,287 294.667,288 753.709,291 250.304,295 2.63,296 51.365,299 0.75,300 0.33,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.59,307 102.833,308 882,309 4.533,310 4.018,311 6.677,312 4.159,313 3.187,314 4.474,315 2.226,316 10.705,317 3.096,318 4.313,319 3.806,320 6.518,321 4.019,322 3.038,323 3.713,324 2.035,325 10.227,326 2.972,327 4.132,328 3.335,329 6.447,330 3.927,331 2.989,332 3.499,333 1.597,334 9.928,335 2.809,336 4.089,337 3.152,338 6.153,339 3.829,340 2.844,341 3.451,342 0.908,343 9.107,344 2.788,345 3.887,346 3.127,347 5.478,348 3.516,349 2.541,350 3.197,351 0.8,352 7.07,353 2.492,354 3.583,355 2.925,356 5.393,357 3.403,358 2.464,359 2.793,360 0.648,361 6.946,362 2.295,363 3.494,364 2.791,365 5.335,366 3.21,367 2.274,368 2.745,369 0.495,370 6.879,371 2.144,372 3.441,373 2.75,374 5.072,375 3.094,376 2.132,377 2.551,378 0.077,379 6.058,380 1.99,381 3.265,382 2.588,383 5.035,384 2.901,385 1.948,386 2.401,388 5.587,389 1.846,390 3.126,391 2.351,392 4.973,393 2.843,394 1.832,395 2.318,397 5.557,398 1.825,399 3.046,400 1.952,401 4.645,402 2.566,403 1.603,404 2.175,406 4.575,407 1.516,408 2.908,409 1.852,410 4.243,411 2.518,412 1.546,413 2.044,415 3.814,416 1.498,417 2.861,418 1.787,419 4.157,420 2.506,421 1.528,422 1.921,424 3.675,425 1.493,426 2.774,427 1.743,428 3.968,429 2.386,430 1.408,431 1.787,433 3.351,434 1.364,435 2.719,436 1.546,437 3.601,438 2.339,439 1.368,440 1.703,442 2.978,443 1.29,444 23.048,445 0.48,446 1.041,447 0.022,448 56.75,449 1.182,450 25.5,451 0.531,452 31.25,453 0.651,454 53.299,455 1.11,456 51.952,457 0.577,458 51.856,459 1.08,460 11.326,461 0.236,462 12.063,463 0.251,464 0.096,466 0.312,472 0.712,473 1.378,474 0.718,475 1.079,476 0.547,477 0.98,478 0.678,479 1.1,480 0.848,481 0.977,482 0.517,483 1.002,484 0.882,485 1.144,486 0.961,487 1.103,488 0.791,489 1.071,490 1.289,491 1.006,492 0.992,493 0.982,494 1.218,495 1.018,496 1.214,497 1.021,498 0.913,499 0.961,500 1.127,501 0.938,502 1.352,503 0.988,504 1.04,505 0.928,506 1.399,507 0.925,508 1.111,509 1,510 0.985,511 0.972,512 1.325,513 0.983,514 0.95,515 0.943,516 0.909,517 0.954,518 1.024,519 0.958,520 8.5,521 0.354,522 5.556,523 3.368,524 2.018,525 1.813,526 1.235,527 0.966,528 0.614,529 0.433,530 48163,531 121971,532 2.112,533 46.7,535 30,536 1,538 2,540 5,541 4,542 1.844,543 2,544 4.061,545 0.065,550 138.759,551 1.542,552 3.76,553 5.129,554 5.783,555 6.025,556 6.025,557 3.554,558 5.418,559 5.554,560 4.315,561 4867.41,562 9.873,563 100726,568 584.267,569 1.318,570 5.527,571 0.16,572 0.006,573 0.076,574 0.045,575 0.029,576 0.024,577 0.016,578 0.012,579 0.008,580 0.007,581 0.384,582 0.17,583 0.63,584 0.689,585 289.489,586 -0.021,587 -0.171,588 0.042,589 -0.048,590 -0.017,591 0.003,592 0.191,593 0.056,594 -0.015,595 0.003,596 0.081,597 -0.044,598 -0.025,599 -0.099,600 -0.047,601 -0.115,602 -0.011,603 -0.086,604 -0.103,605 -0.014,606 -0.076,607 -0.028,608 -0.037,609 -0.059,610 -0.065,611 -0.052,612 0.037,613 0.004,614 -0.015,615 0.033,616 -0.063,617 0.007,618 -0.019,619 0.025,620 -0.054,621 0.026,622 -0.02,623 0.013,624 -0.018,625 -0.008,626 -0.049,627 -0.018,628 0.022,629 0.034,630 0.081,631 0.033,632 0.037,633 0.034,634 2.029,635 6.6,636 0.667,637 75.135,638 0.999,639 1.124,640 3.526,641 12.434,642 0.669,643 3.989,644 4.304,645 4.585,646 4.836,647 5.024,648 5.063,649 5.231,650 5.384,651 5.455,652 5.58,653 10.514,654 0.631,655 668.3,656 3.989,657 5.533,658 6.385,659 7.258,660 8.125,661 9.002,662 9.876,663 10.756,664 11.634,665 12.517,666 5.6,669 1,673 3,674 1,680 2,681 14,683 1,686 4,688 22,702 1,703 90,705 26,706 3,707 53,709 95,710 38,711 20,712 5,713 13,717 6,718 7,719 1,720 1,724 4,727 6,729 25,730 13,731 1,733 4,734 1,737 3,739 1,741 3,747 42,748 8,749 2,750 10,751 1,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,787 1,788 1,792 1,793 1,796 5,802 1,805 48,810 10,811 1,812 1,814 3,815 3,824 1,825 4.4,828 3,830 1,832 24,833 15.66,834 10.639,835 5.502,836 2.687,837 1.305,838 0.982,839 11.422,840 11.507,841 4.234,842 4.756,843 5.263,844 5.763,845 6.182,846 6.275,847 6.595,848 6.919,849 6.93,850 7.176,851 1,852 75,853 17.936,854 7.767,855 7.721,856 34.466,857 28.985,859 2.221,860 106.611,864 470.844,865 216.258,866 44.169,867 39.149,868 86.435,871 216.258,872 596.427,873 44.169,875 65.285,876 141.715,877 80.139,878 46.54,879 24.954,880 459.073,881 39.149,882 470.844,883 260.427,884 86.435,885 39.149,887 364.904,888 192.375,891 69.428,892 181.523,893 48.625,895 470.844,896 130.604,897 255.407,900 470.844,901 58.776,902 151.088,903 34.796,904 141.35,905 470.844,906 130.604,907 255.407,909 0.576,910 0.341,911 0.187,912 0.1,913 33,914 15,915 0.147,916 14,917 1,918 1.063,919 5.649,920 506.65,921 0.063,922 32,923 258.078,928 34.097,929 16.079,930 8.456,931 2.054,932 113.818,933 27.217,935 3.254,938 3.564,940 34.796,941 856.855,942 68,943 3.855,946 39.801,948 1.743,950 -0.895,952 89.93,953 101.162,954 0.237,955 0.579,956 0.79,957 0.891,958 0.928,959 0.928,960 5.479,961 2.132,962 6.358,963 6.879,964 4.99,965 5.445,966 3.201,967 7.157,968 4.918,969 6.647,970 1.948,971 7.909,972 6.058,973 4.511,974 5.121,975 2.59,976 8.03,977 4.385,978 7.929,979 1.832,980 9.561,981 5.587,982 6.572,983 7.523,984 4.236,985 11.136,986 6.43,987 9.243,988 1.603,989 11.273,990 5.557,991 6.948,992 8.071,993 4.298,994 12.868,995 6.759,996 10.592,997 1.546,998 13.026,999 4.575,1000 8.445,1001 9.943,1002 5.545,1003 15.471,1004 8.238,1005 11.966,1006 1.528,1007 14.806,1008 3.814,1009 9.217,1010 10.929,1011 5.915,1012 17.552,1013 8.971,1014 13.359,1015 1.408,1016 16.606,1017 3.675,1018 10.486,1019 12.58,1020 6.965,1021 19.984,1022 10.219,1023 3.187,1024 1.368,1025 18.421,1026 3.351,1027 11.445,1028 13.801,1029 7.501,1030 22.212,1031 11.143,1032 3.038,1033 10.705,1034 20.249,1035 2.978,1036 12.621,1037 15.353,1038 8.442,1039 24.582,1040 12.295,1041 2.989,1042 10.227,1043 22.085,1044 4.474,1045 13.668,1046 16.702,1047 9.074,1048 26.871,1049 13.309,1050 2.844,1051 9.928,1052 23.93,1053 3.713,1054 14.808,1055 18.212,1056 9.954,1057 29.22,1058 14.423,1059 2.541,1060 9.107,1061 25.78,1062 3.499,1063 15.896,1064 19.628,1065 10.644,1066 31.538,1067 15.481,1068 2.464,1069 7.07,1070 27.635,1071 3.451,1072 17.024,1073 21.123,1074 11.488,1075 33.88,1076 16.582,1077 2.274,1078 6.946,1079 29.495,1080 3.197,1081 18.133,1082 22.576,1083 12.214,1084 36.211,1085 17.661,1086 44655,1087 71271,1088 35.887,1089 60.171,1090 80.071,1091 81.98,1092 81.193,1093 79.123,1094 78.873,1095 98.769,1096 17.568,1097 223.366,1098 75.988,1099 5.533,1100 6.018,1101 6.479,1102 5.234,1103 5.187,1104 7.474,1105 3.974,1106 17.772,1107 5.096,1108 22.036,1109 1.511,1110 1.547,1111 1.532,1112 1.493,1113 1.488,1114 1.864,1115 0.331,1116 4.214,1117 1.434,1118 4.139,1119 4.174,1120 4.095,1121 4.052,1122 7.447,1123 4.057,1124 3.991,1125 4.032,1126 4.011,1127 3.91,1128 7.432,1129 3.904,1130 3.914,1131 3.947,1132 3.857,1133 3.844,1134 7.409,1135 3.838,1136 3.867,1137 3.916,1138 3.805,1139 3.728,1140 4.975,1141 3.73,1142 3.817,1143 3.853,1144 3.771,1145 3.618,1146 4.934,1147 3.647,1148 3.638,1149 3.698,1150 3.556,1151 3.473,1152 4.777,1153 3.472,1154 3.501,1155 3.56,1156 3.44,1157 3.391,1158 4.71,1159 3.375,1160 3.413,1161 3.469,1162 3.317,1163 3.271,1164 4.395,1165 3.276,1166 0.086,1167 0.076,1168 0.126,1169 0.078,1170 0.06,1171 4.533,1172 0.084,1173 4.018,1174 0.042,1175 6.677,1176 0.202,1177 4.159,1178 0.058,1179 3.187,1180 4.474,1181 2.226,1182 10.705,1183 3.096,1184 1.945,1185 1.919,1186 2.081,1187 2.069,1188 1.444,1189 2.076,1190 1.939,1191 1.914,1192 2.038,1193 2.018,1194 1.339,1195 2.026,1196 1.905,1197 1.877,1198 2.034,1199 2.007,1200 1.235,1201 2.017,1202 1.846,1203 1.789,1204 2.018,1205 1.983,1206 1.133,1207 1.999,1208 1.672,1209 1.626,1210 1.835,1211 1.851,1212 1.035,1213 1.847,1214 1.621,1215 1.565,1216 1.827,1217 1.81,1218 0.999,1219 1.817,1220 1.552,1221 1.495,1222 1.773,1223 1.75,1224 0.906,1225 1.749,1226 1.353,1227 1.301,1228 1.553,1229 1.599,1230 0.825,1231 1.591,1232 4.673,1233 5.989,1234 3.045,1235 7.492,1236 5.476,1237 9.076,1238 7.6,1239 10.703,1242 6.394,1247 6.163,1248 2.921,1249 5.645,1251 -0.645,1252 5.541,1257 56.803,1258 138.759,1259 338.368,1260 461.632,1261 520.492,1262 542.267,1263 542.267,1264 114.239,1265 8.819,1266 97.98,1267 97.98,1268 34,1269 13.052,1270 4.755,1271 4,1272 75.512,1273 296,1274 336,1275 0.116,1276 348.225,1277 616.61,1278 841.429,1279 105587,1280 1.1,1281 33.459,1282 0.697,1283 0.579,1284 33.959,1285 27.779,1286 23.389,1287 0.441,1288 0.321,1289 16.457,1290 22.342,1291 16.108,1292 13.265,1293 23.678,1294 17,1295 20.675,1296 0.283,1297 0.179,1298 21.083,1299 13.046,1300 17.681,1301 0.182,1302 0.1,1303 17.943,1304 9.721,1305 14.698,1306 0.118,1307 0.056,1308 14.951,1309 7.059,1310 11.762,1311 0.078,1312 0.033,1313 11.976,1314 4.993,1315 0.188,1316 148.702,1317 0.167,1318 42.124,1319 0.305,1320 252,1321 690.747,1322 289.554,1323 695.531,1324 934.49,1325 650,1326 296,1327 653.973,1328 328.631,1329 671.384,1330 984.14,1331 632,1332 6}
{0 CHEMBL107439,1 1.529,2 18.306,3 6.771,4 45.841,5 192.636,6 7.337,7 0.407,8 4.612,9 4.735,10 4.167,11 4.16,12 5.659,13 4.127,14 5.188,15 5.364,16 4.555,17 4.592,18 6.203,19 4.529,20 5.501,21 5.71,22 4.637,23 4.784,24 6.437,25 4.685,26 5.678,27 5.916,28 4.625,29 4.82,30 6.652,31 4.707,32 5.696,33 5.941,34 4.719,35 4.835,36 6.671,37 4.733,38 5.725,39 5.952,40 4.723,41 4.855,42 6.786,43 4.756,44 5.703,45 5.947,46 4.695,47 4.861,48 6.697,49 4.744,50 5.702,51 5.957,52 4.715,53 4.862,54 6.669,55 4.734,56 0.031,57 1.33,58 19.618,59 8.654,60 13.246,61 11.626,62 0.616,63 2.223,64 38.698,65 14.676,66 51.041,67 20.383,68 0.398,69 2.839,70 56.406,71 20.863,72 61.775,73 28.904,74 0.899,75 3.173,76 70.453,77 23.797,78 144.419,79 32.874,80 0.714,81 3.207,82 72.641,83 24.76,84 114.254,85 34.238,86 1.187,87 3.265,88 79.952,89 24.317,90 161.691,91 33.05,92 0.917,93 3.267,94 73.907,95 24.759,96 127.964,97 34.691,98 0.874,99 3.196,100 75.885,101 25.646,102 135.526,103 35.887,104 39,105 76,106 0.224,107 0.552,108 0.758,109 0.851,110 0.885,111 0.885,112 3.915,113 0.964,114 -4.93,115 -4.83,116 -4.53,119 41.9,120 1,121 4,123 1,125 6,127 2,133 1,134 1,138 13,139 4,140 1,147 1,148 1,151 1,152 2,163 20,165 5,166 8,169 2,171 4,172 24,176 9,179 1,181 4,183 17,186 2,187 19,192 3,194 12,197 1,198 19,202 1,203 4,205 10,208 2,209 16,212 2,214 4,217 11,220 2,221 15,224 2,226 2,227 17,231 14,236 3,238 18,241 1,242 12,247 5,249 21,252 6539,253 33.239,254 33.239,255 33.239,256 33.239,257 33.239,258 30.097,259 39.12,260 19.634,261 33.867,262 26.596,263 26.596,264 26.596,265 26.596,266 26.596,267 21.813,268 49.548,269 9.224,270 27.61,271 5.01,272 2.774,273 1.37,274 0.737,275 0.503,276 0.503,277 4.621,279 1,283 1,284 1962,285 5.099,287 301.594,288 771.606,291 256.095,295 2.636,296 52.471,299 0.75,300 0.33,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.62,307 104.833,308 897,309 4.571,310 4.03,311 7.492,312 4.463,313 3.471,314 4.474,315 2.226,316 13.323,317 3.444,318 4.528,319 3.806,320 6.65,321 4.119,322 3.139,323 3.9,324 2.035,325 10.59,326 3.075,327 4.256,328 3.635,329 6.513,330 3.985,331 3.008,332 3.5,333 1.597,334 10.18,335 2.929,336 4.089,337 3.332,338 6.447,339 3.926,340 2.988,341 3.451,342 0.908,343 9.928,344 2.796,345 3.887,346 3.13,347 5.498,348 3.516,349 2.541,350 3.198,351 0.8,352 7.076,353 2.492,354 3.767,355 2.926,356 5.4,357 3.405,358 2.467,359 3.098,360 0.648,361 6.954,362 2.296,363 3.524,364 2.88,365 5.34,366 3.313,367 2.392,368 2.775,369 0.495,370 6.918,371 2.185,372 3.458,373 2.771,374 5.255,375 3.138,376 2.157,377 2.555,378 0.077,379 6.513,380 2.097,381 3.266,382 2.592,383 5.06,384 2.905,385 1.95,386 2.401,388 5.59,389 1.846,390 3.126,391 2.353,392 4.979,393 2.844,394 1.832,395 2.318,397 5.574,398 1.839,399 3.046,400 1.957,401 4.705,402 2.574,403 1.621,404 2.18,406 4.649,407 1.516,408 2.952,409 1.855,410 4.595,411 2.518,412 1.546,413 2.089,415 4.323,416 1.498,417 2.904,418 1.814,419 4.169,420 2.507,421 1.531,422 2.027,424 3.718,425 1.493,426 2.776,427 1.743,428 3.974,429 2.453,430 1.492,431 1.805,433 3.364,434 1.386,435 2.758,436 1.607,437 3.695,438 2.369,439 1.384,440 1.703,442 2.981,443 1.35,444 23.548,445 0.481,446 1.195,447 0.024,448 57.25,449 1.168,450 25.5,451 0.52,452 31.75,453 0.648,454 57.624,455 1.176,456 53.252,457 0.573,458 53.347,459 1.089,460 11.305,461 0.231,462 12.43,463 0.254,464 0.115,465 0.021,466 0.285,472 0.712,473 1.381,474 0.729,475 1.089,476 0.558,477 0.992,478 0.671,479 1.068,480 0.825,481 0.943,482 0.512,483 0.966,484 0.873,485 1.197,486 0.982,487 1.15,488 0.787,489 1.114,490 1.243,491 1,492 0.974,493 0.97,494 1.162,495 1.006,496 1.138,497 1.019,498 0.85,499 0.94,500 1.026,501 0.911,502 1.539,503 1.006,504 1.241,505 1.001,506 1.642,507 1.008,508 1.034,509 0.985,510 0.954,511 0.965,512 1.233,513 0.976,514 0.896,515 0.914,516 0.859,517 0.914,518 0.967,519 0.913,520 10,521 0.411,522 6.444,523 3.993,524 2.591,525 2.122,526 1.298,527 1.088,528 0.73,529 0.558,530 49536,531 124164,532 2.092,533 47.3,534 3,535 30,536 1,538 2,540 4,541 4,542 1.849,543 1.967,544 4.053,545 0.056,550 142.186,551 1.529,552 3.765,553 5.169,554 5.802,555 6.036,556 6.036,557 3.552,558 5.411,559 5.583,560 4.305,561 5062.66,562 9.934,563 104769,568 608.142,569 1.463,570 5.546,571 0.185,572 0.007,573 0.085,574 0.051,575 0.035,576 0.026,577 0.016,578 0.014,579 0.009,580 0.008,581 0.434,582 0.17,583 0.63,584 0.715,585 296.091,586 -0.018,587 -0.167,588 0.043,589 -0.046,590 -0.023,591 0.004,592 0.198,593 0.089,594 0.017,595 0.044,596 0.089,597 0.001,598 -0.026,599 -0.137,600 -0.075,601 -0.153,602 -0.014,603 -0.125,604 -0.092,605 -0.004,606 -0.063,607 -0.017,608 -0.033,609 -0.045,610 -0.031,611 -0.044,612 0.09,613 0.024,614 0.03,615 0.062,616 -0.136,617 -0.011,618 -0.14,619 -0.037,620 -0.127,621 -0.06,622 0.002,623 0.012,624 0.005,625 0.001,626 -0.03,627 -0.002,628 0.045,629 0.049,630 0.125,631 0.07,632 0.055,633 0.082,634 2.037,635 6.742,636 0.653,637 77.86,638 0.998,639 1.124,640 3.698,641 13.674,642 0.666,643 4.007,644 4.344,645 4.625,646 4.875,647 5.081,648 5.106,649 5.278,650 5.425,651 5.501,652 5.628,653 10.424,654 0.627,655 682.33,656 4.007,657 5.565,658 6.422,659 7.306,660 8.181,661 9.07,662 9.953,663 10.845,664 11.733,665 12.627,666 5.4,669 1,673 3,674 1,680 2,681 14,683 1,686 4,688 22,702 1,703 93,705 26,706 3,707 54,709 98,710 39,711 20,712 5,713 13,717 6,718 7,719 1,720 1,721 1,722 1,724 4,727 6,729 25,730 14,733 4,734 1,737 3,739 1,741 3,747 44,748 8,749 2,750 10,751 1,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,787 1,788 1,792 1,793 1,796 5,801 1,802 1,805 49,810 10,811 1,812 1,814 2,815 3,816 1,824 1,825 4.3,828 3,830 1,832 24.917,833 16.576,834 10.778,835 5.648,836 2.674,837 1.302,838 0.973,839 11.332,840 11.514,841 4.248,842 4.781,843 5.289,844 5.786,845 6.216,846 6.303,847 6.631,848 6.931,849 6.946,850 7.197,851 1,852 79,853 18.32,854 7.957,855 7.715,856 35.202,857 29.686,859 2.215,860 108.528,864 494.386,865 225.083,866 44.169,867 39.149,868 86.435,871 225.083,872 619.97,873 44.169,874 8.825,875 65.285,876 141.715,877 80.139,878 46.54,879 24.954,880 482.615,881 39.149,882 494.386,883 269.253,884 86.435,885 39.149,887 400.217,888 180.603,891 78.253,892 181.523,893 48.625,895 494.386,896 130.604,897 264.232,900 494.386,901 58.776,902 159.913,903 34.796,904 141.35,905 494.386,906 130.604,907 264.232,909 0.581,910 0.345,911 0.186,912 0.103,913 35,914 16,915 0.143,916 14,917 1,918 1.063,919 5.629,920 528.932,921 0.063,922 32,923 265.121,928 35.061,929 15.838,930 8.34,931 2.048,932 113.818,933 27.251,935 3.26,938 3.535,940 34.796,941 889.222,942 69,943 3.863,946 40.128,948 1.743,950 -0.913,952 92.814,953 104.577,954 0.234,955 0.576,956 0.791,957 0.887,958 0.923,959 0.923,960 5.507,961 2.157,962 6.422,963 6.918,964 5.03,965 5.47,966 3.201,967 7.265,968 4.961,969 6.694,970 1.95,971 8.005,972 6.513,973 4.691,974 5.223,975 2.59,976 8.389,977 4.587,978 7.995,979 1.832,980 9.701,981 5.59,982 6.681,983 7.569,984 4.236,985 11.47,986 6.553,987 9.332,988 1.621,989 11.467,990 5.574,991 7.201,992 8.169,993 4.298,994 13.486,995 7.056,996 10.704,997 1.546,998 13.281,999 4.649,1000 8.666,1001 10.008,1002 5.545,1003 16.15,1004 8.501,1005 12.102,1006 1.531,1007 15.131,1008 4.323,1009 9.567,1010 11.024,1011 5.915,1012 18.505,1013 9.394,1014 13.519,1015 1.492,1016 17.008,1017 3.718,1018 10.845,1019 12.655,1020 6.965,1021 21.071,1022 10.658,1023 3.471,1024 1.384,1025 18.907,1026 3.364,1027 11.913,1028 13.89,1029 7.501,1030 23.553,1031 11.722,1032 3.139,1033 13.323,1034 20.822,1035 2.981,1036 13.129,1037 15.43,1038 8.442,1039 26.107,1040 12.929,1041 3.008,1042 10.59,1043 22.751,1044 4.474,1045 14.272,1046 16.782,1047 9.074,1048 28.641,1049 14.069,1050 2.988,1051 10.18,1052 24.691,1053 3.9,1054 15.472,1055 18.284,1056 9.954,1057 31.202,1058 15.264,1059 2.541,1060 9.928,1061 26.641,1062 3.5,1063 16.65,1064 19.699,1065 10.644,1066 33.761,1067 16.439,1068 2.467,1069 7.076,1070 28.6,1071 3.451,1072 17.851,1073 21.188,1074 11.488,1075 36.33,1076 17.637,1077 2.392,1078 6.954,1079 30.565,1080 3.198,1081 19.047,1082 22.637,1083 12.214,1084 38.902,1085 18.831,1086 46046,1087 73103,1088 36.175,1089 61.932,1090 82.346,1091 84.196,1092 83.665,1093 81.179,1094 80.952,1095 100.872,1096 17.568,1097 234.875,1098 78.069,1099 5.571,1100 6.03,1101 7.294,1102 5.538,1103 5.471,1104 7.474,1105 3.974,1106 20.871,1107 5.444,1108 24.129,1109 1.525,1110 1.559,1111 1.549,1112 1.503,1113 1.499,1114 1.868,1115 0.325,1116 4.35,1117 1.446,1118 4.14,1119 4.176,1120 4.097,1121 4.054,1122 7.447,1123 4.058,1124 4.005,1125 4.044,1126 4.019,1127 3.929,1128 7.432,1129 3.923,1130 3.917,1131 3.951,1132 3.857,1133 3.845,1134 7.409,1135 3.839,1136 3.867,1137 3.916,1138 3.81,1139 3.728,1140 4.976,1141 3.73,1142 3.817,1143 3.853,1144 3.771,1145 3.623,1146 4.935,1147 3.65,1148 3.645,1149 3.702,1150 3.582,1151 3.492,1152 4.777,1153 3.49,1154 3.539,1155 3.595,1156 3.468,1157 3.419,1158 4.71,1159 3.407,1160 3.416,1161 3.471,1162 3.317,1163 3.276,1164 4.412,1165 3.282,1166 0.085,1167 0.075,1168 0.139,1169 0.083,1170 0.064,1171 4.571,1172 0.083,1173 4.03,1174 0.041,1175 7.492,1176 0.247,1177 4.463,1178 0.064,1179 3.471,1180 4.474,1181 2.226,1182 13.323,1183 3.444,1184 1.962,1185 1.935,1186 2.093,1187 2.076,1188 1.449,1189 2.085,1190 1.94,1191 1.917,1192 2.038,1193 2.019,1194 1.359,1195 2.027,1196 1.905,1197 1.877,1198 2.035,1199 2.015,1200 1.236,1201 2.023,1202 1.846,1203 1.789,1204 2.024,1205 1.985,1206 1.133,1207 2.001,1208 1.674,1209 1.629,1210 1.839,1211 1.851,1212 1.035,1213 1.848,1214 1.639,1215 1.588,1216 1.828,1217 1.813,1218 0.999,1219 1.821,1220 1.57,1221 1.511,1222 1.794,1223 1.76,1224 0.912,1225 1.766,1226 1.353,1227 1.303,1228 1.576,1229 1.608,1230 0.825,1231 1.591,1232 4.691,1233 6.023,1234 3.045,1235 7.545,1236 5.476,1237 9.149,1238 7.6,1239 10.797,1241 2.105,1242 6.456,1247 6.02,1248 2.938,1249 5.658,1251 -0.58,1252 5.556,1253 -0.541,1257 58.33,1258 142.186,1259 350.188,1260 480.752,1261 539.612,1262 561.387,1263 561.387,1264 121.961,1265 8.84,1266 97.98,1267 97.98,1268 34,1269 13.155,1270 4.755,1271 4,1272 77.923,1273 297,1274 350,1275 0.119,1276 357.817,1277 633.91,1278 864.834,1279 106992,1280 1.1,1281 34.382,1282 0.702,1283 0.586,1284 34.882,1285 28.702,1286 23.735,1287 0.44,1288 0.321,1289 16.809,1290 22.691,1291 16.376,1292 13.515,1293 24.024,1294 17.352,1295 21.435,1296 0.282,1297 0.182,1298 21.843,1299 13.802,1300 18.264,1301 0.181,1302 0.101,1303 18.526,1304 10.213,1305 14.996,1306 0.115,1307 0.056,1308 15.24,1309 7.277,1310 12.298,1311 0.077,1312 0.033,1313 12.558,1314 5.28,1315 0.192,1316 150.777,1317 0.166,1318 42.661,1319 0.315,1320 260,1321 698.747,1322 297.554,1323 704.781,1324 948.09,1325 658,1326 307,1327 665.973,1328 339.797,1329 685.771,1330 1005.31,1331 644,1332 6}
{0 CHEMBL1078231,1 1.439,2 15.35,3 2.334,4 5.446,5 156.044,6 6.246,7 0.136,8 4.556,9 4.693,10 3.976,11 4.016,12 5.445,13 3.971,14 5.214,15 5.428,16 4.382,17 4.475,18 6.058,19 4.402,20 5.554,21 5.789,22 4.524,23 4.745,24 6.326,25 4.639,26 5.752,27 6.005,28 4.526,29 4.842,30 6.586,31 4.695,32 5.826,33 6.117,34 4.448,35 4.816,36 6.591,37 4.653,38 5.732,39 6.014,40 4.412,41 4.747,42 6.506,43 4.594,44 5.682,45 5.956,46 4.338,47 4.715,48 6.451,49 4.557,50 5.625,51 5.902,52 4.314,53 4.706,54 6.355,55 4.533,56 0.057,57 1.286,58 22.385,59 8.571,60 10.088,61 12.56,62 0.635,63 2.133,64 43.839,65 14.344,66 43.792,67 21.839,68 0.566,69 2.802,70 60.747,71 20.117,72 41.605,73 30.506,74 0.946,75 3.132,76 73.918,77 24.594,78 90.868,79 36.786,80 1.013,81 3.147,82 79.194,83 24.028,84 95.823,85 37.537,86 0.957,87 2.901,88 72.227,89 22.453,90 85.613,91 34.535,92 1.084,93 2.744,94 68.895,95 21.978,96 93.954,97 33.164,98 0.635,99 2.722,100 63.79,101 22.337,102 62.332,103 33.491,104 40,105 64,106 0.217,107 0.422,108 0.675,109 0.801,110 0.807,111 0.807,112 3.717,113 1.065,114 -3.99,115 -3.94,116 -3.73,119 34.8,120 4,121 9,122 2,125 8,129 2,139 1,142 2,144 1,151 1,152 1,163 6,165 5,166 20,172 12,176 5,183 4,186 6,187 19,194 13,197 1,198 8,205 5,208 3,209 15,217 15,220 2,221 3,227 10,230 3,231 17,238 10,242 6,249 5,252 3148,253 26.868,254 26.868,255 26.868,256 26.868,257 26.868,258 25.814,259 40.181,260 15.602,261 27.557,262 21.584,263 21.584,264 21.584,265 21.584,266 21.584,267 19.946,268 62.355,269 7.249,270 22.624,271 5.037,272 3.687,273 2.012,274 1.18,275 1.135,276 1.135,277 4.418,283 1,284 1330,285 4.183,288 751.149,295 2.518,296 42.553,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 86.5,308 614,309 4.565,310 3.953,311 7.663,312 4.51,313 3.553,314 4.114,315 2.208,316 14.101,317 3.395,318 4.486,319 3.751,320 7.467,321 4.376,322 3.414,323 3.589,324 1.2,325 13.176,326 3.282,327 4.401,328 3.602,329 6.784,330 4.122,331 3.139,332 3.423,333 0.86,334 10.975,335 3.083,336 3.847,337 3.414,338 6.035,339 3.695,340 2.741,341 2.954,342 0.8,343 8.669,344 2.611,345 3.695,346 2.863,347 5.772,348 3.421,349 2.481,350 2.901,351 0.655,352 7.678,353 2.328,354 3.44,355 2.69,356 5.291,357 3.331,358 2.361,359 2.481,360 0.293,361 6.726,362 2.275,363 3.232,364 2.371,365 5.214,366 2.994,367 2.015,368 2.46,369 0.13,370 5.92,371 1.966,372 3.061,373 2.3,374 4.989,375 2.832,376 1.879,377 2.077,379 5.28,380 1.787,381 2.914,382 2.147,383 4.841,384 2.722,385 1.779,386 1.994,388 5.104,389 1.67,390 2.743,391 2.027,392 4.333,393 2.442,394 1.511,395 1.759,397 3.861,398 1.407,399 2.57,400 1.92,401 4.095,402 2.431,403 1.485,404 1.55,406 3.345,407 1.4,408 2.407,409 1.7,410 3.802,411 2.308,412 1.379,413 1.391,415 2.886,416 1.256,417 2.388,418 1.343,419 3.802,420 1.984,421 1,422 1.279,424 2.372,425 0.983,426 2.022,427 1.252,428 3.607,429 1.984,430 1,431 1,433 2.372,434 0.983,435 2,436 1.2,437 3.581,438 1.977,439 1,440 1,442 2.303,443 0.966,444 18.833,445 0.471,446 1.1,447 0.028,448 35.75,449 0.894,450 9,451 0.225,452 26.75,453 0.669,454 59.27,455 1.482,456 47.767,457 0.537,458 26.447,459 0.661,460 5.781,461 0.145,462 13.463,463 0.337,464 0.142,465 0.053,466 0.25,472 0.754,473 1.704,474 0.941,475 1.435,476 0.564,477 1.243,478 0.877,479 1.154,480 0.947,481 1.038,482 0.515,483 0.999,484 1.082,485 1.146,486 1.06,487 1.106,488 0.732,489 1.076,490 1.036,491 1.14,492 1.1,493 1.179,494 1.126,495 1.162,496 1.131,497 0.937,498 1.004,499 0.924,500 1.367,501 0.941,502 1.099,503 0.938,504 1.009,505 0.963,506 1.167,507 0.971,508 1.214,509 0.9,510 1.068,511 0.937,512 1.126,513 0.981,514 0.734,515 1.094,516 0.963,517 1.128,518 0.855,519 1.092,520 9.5,521 0.285,522 6.222,523 3.563,524 2.907,525 1.868,526 1.275,527 0.946,528 0.554,529 0.377,530 27238,531 56861,532 2.065,533 55.1,534 9,535 16,537 1,539 6,540 8,541 9,542 1.799,543 1.92,544 3.85,545 -0.77,550 128.03,551 1.439,552 2.789,553 4.463,554 5.296,555 5.341,556 5.341,557 3.366,558 4.434,559 5.289,560 4.073,561 3176.95,562 9.332,563 55374.3,568 576.34,569 1.601,570 5.237,571 0.216,572 0.007,573 0.097,574 0.049,575 0.043,576 0.03,577 0.021,578 0.017,579 0.01,580 0.008,581 0.499,582 0.33,583 0.75,584 0.943,585 226.809,586 0.022,587 -0.304,588 0.085,589 -0.127,590 0.014,591 -0.03,592 0.143,593 0.052,594 0.089,595 0.062,596 0.129,597 0.067,598 -0.101,599 -0.017,600 -0.048,601 -0.032,602 -0.016,603 -0.028,604 0.007,605 -0.106,606 -0.1,607 -0.138,608 0.009,609 -0.14,610 -0.082,611 0.014,612 -0.012,613 0.027,614 -0.093,615 0.02,616 -0.037,617 0.033,618 -0.012,619 0.006,620 -0.042,621 0.002,622 -0.054,623 0.059,624 -0.063,625 0.05,626 -0.057,628 0.04,629 -0.102,630 -0.01,631 -0.087,632 0.016,633 -0.064,634 1.777,635 6.31,636 0.725,637 56.105,638 0.992,639 1.14,640 2.756,641 7.597,642 0.613,643 3.807,644 4.174,645 4.477,646 4.727,647 4.99,648 5.118,649 5.257,650 5.416,651 5.541,652 5.663,653 8.908,654 0.568,655 555.85,656 3.807,657 5.38,658 6.252,659 7.155,660 8.047,661 8.958,662 9.858,663 10.773,664 11.677,665 12.595,666 5.6,669 1,673 2,676 2,681 1,682 2,686 3,688 6,693 1,703 89,705 8,707 44,709 93,710 31,711 4,714 1,717 5,718 5,721 4,724 6,725 4,727 9,729 6,730 25,731 4,733 2,737 2,741 2,747 49,748 9,750 9,755 5,760 0.8,761 4,771 1,776 5,792 1,793 1,795 1,796 4,801 4,805 40,810 17,812 2,814 2,815 3,816 2,825 4.5,828 2,829 1,830 1,832 20.833,833 16.917,834 8.764,835 6.171,836 1.023,837 1.118,838 0.924,839 9.387,840 9.69,841 3.912,842 4.376,843 4.794,844 5.173,845 5.506,846 5.604,847 5.712,848 5.899,849 5.975,850 6.136,851 1,852 72,853 15.054,854 6.498,855 7.55,856 29.911,857 25.923,859 2.05,860 82,864 576.784,865 108.715,866 42.944,868 72.29,871 108.715,872 649.074,873 42.944,874 35.301,875 50.878,877 111.337,878 31.442,879 6.763,880 565.013,882 576.784,883 151.659,884 72.29,887 376.675,888 261.398,889 11,891 103.436,892 14.653,893 33.571,895 576.784,896 115.234,897 108.715,900 576.784,901 64.796,902 53.292,904 105.861,905 576.784,906 115.234,907 108.715,909 0.589,910 0.353,911 0.186,912 0.103,913 31,914 14,915 0.075,916 7,918 1.034,919 4.839,920 408.553,922 30,923 194.877,928 29.729,929 12.63,930 6.372,932 115.234,933 1.526,934 8.505,938 2.144,941 800.733,942 49,946 26.594,950 -0.061,952 88.257,953 101.464,954 0.222,955 0.431,956 0.689,957 0.818,958 0.825,959 0.825,960 5.228,961 1.879,962 6.29,963 5.92,964 4.86,965 5.063,966 2.74,967 7.201,968 4.773,969 6.404,970 1.779,971 7.924,972 5.28,973 4.691,974 4.966,975 1.961,976 8.604,977 4.577,978 7.73,979 1.511,980 9.68,981 5.104,982 6.608,983 7.043,984 3.667,985 11.674,986 6.442,987 9.088,988 1.485,989 11.512,990 3.861,991 7.28,992 7.763,993 3.687,994 13.908,995 7.088,996 10.487,997 1.379,998 13.396,999 3.345,1000 8.723,1001 9.39,1002 4.995,1003 16.618,1004 8.483,1005 11.91,1006 1,1007 15.315,1008 2.886,1009 9.737,1010 10.453,1011 5.379,1012 19.112,1013 9.465,1014 13.351,1015 1,1016 17.259,1017 2.372,1018 11.029,1019 11.933,1020 6.469,1021 21.743,1022 10.713,1023 3.553,1024 1,1025 19.22,1026 2.372,1027 12.178,1028 13.152,1029 7.031,1030 24.319,1031 11.825,1032 3.414,1033 14.101,1034 21.195,1035 2.303,1036 13.426,1037 14.579,1038 7.997,1039 26.936,1040 13.029,1041 3.139,1042 13.176,1043 23.181,1044 4.114,1045 14.629,1046 15.876,1047 8.655,1048 29.541,1049 14.192,1050 2.741,1051 10.975,1052 25.173,1053 3.589,1054 15.867,1055 17.285,1056 9.55,1057 32.159,1058 15.387,1059 2.481,1060 8.669,1061 27.172,1062 3.423,1063 17.092,1064 18.625,1065 10.263,1066 34.775,1067 16.569,1068 2.361,1069 7.678,1070 29.176,1071 2.954,1072 18.331,1073 20.028,1074 11.116,1075 37.397,1076 17.764,1077 2.015,1078 6.726,1079 31.183,1080 2.901,1081 19.567,1082 21.394,1083 11.862,1084 40.019,1085 18.956,1086 25705,1087 37334,1088 29.008,1089 54.597,1090 66.048,1091 68.519,1092 69.967,1093 65.83,1094 65.799,1095 72.392,1096 12.291,1097 199.068,1098 62.948,1099 5.565,1100 5.953,1101 7.523,1102 5.631,1103 5.553,1104 7.114,1105 3.912,1106 21.781,1107 5.331,1108 21.424,1109 1.501,1110 1.557,1111 1.59,1112 1.496,1113 1.495,1114 1.645,1115 0.279,1116 4.524,1117 1.431,1118 4.044,1119 4.093,1120 3.963,1121 3.896,1122 7.434,1123 3.903,1124 3.927,1125 3.968,1126 3.873,1127 3.783,1128 7.427,1129 3.798,1130 3.853,1131 3.907,1132 3.75,1133 3.707,1134 4.966,1135 3.708,1136 3.791,1137 3.842,1138 3.67,1139 3.658,1140 4.626,1141 3.653,1142 3.636,1143 3.708,1144 3.469,1145 3.49,1146 4.557,1147 3.473,1148 3.531,1149 3.595,1150 3.417,1151 3.301,1152 4.355,1153 3.315,1154 3.32,1155 3.384,1156 3.221,1157 3.085,1158 4.145,1159 3.107,1160 3.236,1161 3.33,1162 3.044,1163 3.051,1164 4.099,1165 3.033,1166 0.104,1167 0.09,1168 0.174,1169 0.102,1170 0.081,1171 4.565,1172 0.093,1173 3.953,1174 0.05,1175 7.663,1176 0.32,1177 4.51,1178 0.077,1179 3.553,1180 4.114,1181 2.208,1182 14.101,1183 3.395,1184 1.952,1185 1.907,1186 2.123,1187 2.124,1188 1.531,1189 2.125,1190 1.878,1191 1.836,1192 2.053,1193 2.051,1194 1.43,1195 2.049,1196 1.82,1197 1.773,1198 2.017,1199 1.993,1200 1.397,1201 1.996,1202 1.781,1203 1.732,1204 1.943,1205 1.946,1206 1.237,1207 1.954,1208 1.649,1209 1.581,1210 1.907,1211 1.834,1212 1.038,1213 1.865,1214 1.471,1215 1.402,1216 1.729,1217 1.725,1218 1.011,1219 1.724,1220 1.261,1221 1.189,1222 1.615,1223 1.522,1224 0.825,1225 1.54,1226 1.258,1227 1.168,1228 1.568,1229 1.494,1230 0.825,1231 1.534,1232 4.489,1233 5.844,1235 7.412,1237 9.076,1239 10.79,1241 8.368,1247 15.764,1249 11.963,1251 0.906,1252 6.59,1253 -0.299,1257 50.556,1258 128.03,1259 248.223,1260 397.243,1261 471.321,1262 475.321,1263 475.321,1264 96.837,1265 8.666,1266 88.1,1267 88.1,1268 30,1269 13.108,1270 3.17,1271 2.585,1272 64.072,1273 218,1274 204,1275 0.145,1276 306.486,1277 549.12,1278 739.585,1279 79592,1281 28.33,1282 0.708,1283 0.628,1284 28.33,1285 25.122,1286 19.244,1287 0.437,1288 0.355,1289 15.414,1290 18.418,1291 14.942,1292 12.315,1293 19.244,1294 15.627,1295 17.706,1296 0.277,1297 0.202,1298 17.706,1299 12.928,1300 15.377,1301 0.177,1302 0.12,1303 15.377,1304 10.4,1305 12.67,1306 0.113,1307 0.067,1308 12.67,1309 7.527,1310 10.191,1311 0.07,1312 0.039,1313 10.191,1314 5.657,1315 0.231,1316 120.99,1317 0.186,1318 36.124,1319 0.386,1320 216,1321 545.168,1322 239.584,1323 509.793,1324 695.97,1325 480,1326 259,1327 509.562,1328 283.117,1329 509.21,1330 753.88,1331 478,1332 4.301}
{0 CHEMBL1093137,1 1.339,2 14.324,3 5.686,4 32.326,5 147.198,6 7.082,7 0.667,8 4.324,9 4.456,10 3.869,11 3.912,12 5.339,13 3.874,14 4.87,15 5.053,16 4.205,17 4.315,18 5.812,19 4.25,20 5.147,21 5.378,22 4.236,23 4.451,24 6.002,25 4.342,26 5.23,27 5.493,28 4.15,29 4.434,30 5.999,31 4.302,32 5.207,33 5.466,34 4.148,35 4.442,36 5.991,37 4.315,38 5.237,39 5.489,40 4.23,41 4.507,42 6.047,43 4.376,44 5.259,45 5.519,46 4.289,47 4.527,48 6.108,49 4.413,50 5.195,51 5.428,52 4.215,53 4.528,54 6.06,55 4.401,56 0.068,57 1.039,58 14.765,59 6.102,60 11.184,61 8.542,62 0.209,63 1.737,64 27.189,65 10.189,66 23.049,67 14.598,68 0.372,69 2.181,70 37.8,71 13.933,72 36.195,73 20.191,74 0.33,75 2.28,76 42.421,77 14.997,78 36.334,79 22.168,80 0.36,81 2.235,82 41.38,83 14.495,84 37.158,85 21.367,86 0.303,87 2.282,88 42.015,89 16.401,90 37.32,91 23.763,92 0.361,93 2.348,94 43.492,95 15.912,96 44.92,97 23.297,98 0.271,99 2.214,100 39.512,101 15.539,102 39.357,103 22.338,105 57,106 0.207,107 0.518,108 0.702,109 0.846,110 0.883,111 0.896,112 3.642,113 0.937,114 -4.14,115 -4.09,116 -3.87,119 44.9,121 3,125 4,127 1,138 13,139 3,141 2,142 3,148 1,154 1,163 16,166 7,169 1,171 2,172 13,175 2,176 10,179 2,181 5,183 7,187 6,192 4,194 3,198 8,203 4,205 6,208 1,209 10,212 1,214 4,217 11,221 8,224 1,226 4,227 19,231 6,236 2,238 25,242 2,247 1,249 23,252 3206,253 26.015,254 26.015,255 26.015,256 26.015,257 26.015,258 22.677,259 27.455,260 15.792,261 26.402,262 20.846,263 20.846,264 20.846,265 20.846,266 20.846,267 15.945,268 38.782,269 7.596,270 21.504,271 4.769,272 2.766,273 1.572,274 0.643,275 0.406,276 0.319,277 4.367,283 1,284 1196,285 3.536,287 87.983,288 597.33,291 171.88,292 177.56,295 2.172,296 18.521,299 1,300 0.67,301 0.83,302 0.8,303 0.5,304 1,305 1,306 0.83,307 77,308 530,309 4.464,310 3.462,311 6.697,312 4.104,313 3.142,314 4.402,315 1.057,316 10.873,317 3.028,318 4.346,319 3.056,320 6.246,321 3.931,322 2.974,323 3.883,324 0.759,325 9.487,326 2.846,327 4.05,328 2.912,329 5.828,330 3.676,331 2.688,332 3.641,333 0.359,334 8.122,335 2.659,336 3.896,337 2.796,338 5.466,339 3.493,340 2.53,341 3.444,342 0.359,343 7.263,344 2.433,345 3.704,346 2.68,347 5.338,348 3.427,349 2.46,350 2.951,351 0.359,352 6.959,353 2.373,354 3.46,355 2.418,356 5.126,357 3.121,358 2.136,359 2.775,361 6.318,362 2.103,363 3.331,364 2.252,365 5.119,366 2.992,367 2.024,368 2.535,370 6.118,371 1.954,372 3.032,373 1.774,374 4.505,375 2.587,376 1.618,377 2.298,379 4.312,380 1.566,381 2.946,382 1.698,383 4.414,384 2.529,385 1.554,386 2.11,388 4.261,389 1.514,390 2.938,391 1.597,392 4.003,393 2.495,394 1.532,395 2.105,397 3.536,398 1.474,399 2.875,400 1.532,401 3.679,402 2.448,403 1.474,404 2.033,406 3.233,407 1.434,408 2.729,409 1.382,410 3.603,411 2.302,412 1.323,413 1.808,415 2.938,416 1.293,417 2.5,418 1.293,419 3.579,420 2.227,421 1.245,422 1.5,424 2.78,425 1.219,426 2.5,427 1.256,428 3.414,429 2.01,430 1.07,431 1.5,433 2.352,434 1.003,435 2.41,436 1,437 3.341,438 2,439 1,440 1.403,442 2.275,443 1,444 17.9,445 0.484,446 0.615,447 0.017,448 50.25,449 1.358,450 26,451 0.703,452 24.25,453 0.655,454 32.391,455 0.875,456 37.9,457 0.549,458 37.537,459 1.015,460 9.86,461 0.266,462 8.455,463 0.229,466 0.274,472 0.973,473 1.275,474 0.832,475 1.02,476 0.825,477 0.932,478 1.23,479 1.194,480 1.005,481 1.04,482 0.961,483 1.008,484 1.07,485 1.073,486 1.065,487 1.068,488 1.02,489 1.066,490 1.228,491 1.114,492 1.055,493 1.038,494 1.062,495 1.032,496 1.368,497 0.956,498 1.08,499 0.937,500 1.195,501 0.974,502 0.762,503 1.04,504 0.938,505 1.038,506 0.737,507 1.011,508 1.069,509 0.875,510 0.889,511 0.833,512 0.953,513 0.842,514 1.013,515 0.986,516 1.078,517 1.049,518 1.101,519 1.066,520 5.5,521 0.142,522 2.889,523 1.917,524 1.271,525 0.893,526 0.659,527 0.452,528 0.464,529 0.2,530 24271,531 52426,532 2.232,533 46.4,534 4,535 22,537 2,538 2,540 2,542 1.783,543 2.198,544 3.706,545 0.082,550 92.398,551 1.339,552 3.343,553 4.536,554 5.466,555 5.703,556 5.79,557 3.181,558 4.669,559 5.174,560 3.966,561 2641.11,562 9.121,563 44317,568 421.488,569 0.842,570 5.183,571 0.131,572 0.004,573 0.051,574 0.034,575 0.025,576 0.018,577 0.012,578 0.007,579 0.008,580 0.004,581 0.295,582 0.33,583 0.75,585 205.227,586 0.004,587 -0.133,588 0.07,589 -0.016,590 0.062,591 0.024,592 -0.056,593 -0.082,594 -0.057,595 -0.07,596 -0.015,597 -0.064,598 0.073,599 -0.031,600 -0.086,601 -0.101,602 -0.012,603 -0.107,604 -0.09,605 -0.116,606 -0.053,607 -0.076,608 -0.11,609 -0.064,610 -0.193,611 0.057,612 -0.079,613 0.022,614 -0.188,615 -0.01,616 0.11,617 -0.072,618 0.039,619 -0.038,620 0.144,621 -0.012,622 -0.02,623 0.117,624 0.105,625 0.146,626 0.091,627 0.139,628 -0.138,629 0.011,630 -0.118,631 -0.046,632 -0.119,633 -0.074,634 1.058,635 1.887,636 0.838,637 48.034,638 0.987,639 1.122,640 2.914,641 8.489,642 0.68,643 3.761,644 4.06,645 4.344,646 4.625,647 4.86,648 4.89,649 5.075,650 5.252,651 5.394,652 5.497,653 8.452,654 0.637,655 488.69,656 3.761,657 5.293,658 6.142,659 7.009,660 7.872,661 8.746,662 9.616,663 10.494,664 11.368,665 12.249,666 8.7,668 1,669 1,674 1,676 3,680 2,681 15,682 3,683 1,686 6,688 28,703 69,705 28,706 2,707 42,709 74,710 31,711 23,712 4,713 8,717 6,718 8,724 4,727 4,729 23,730 8,747 32,748 5,749 2,750 6,753 1,755 6,760 0.667,770 2,775 1,776 5,779 1,780 1,791 1,792 1,796 4,805 37,810 7,811 1,814 1,815 1,832 16.833,833 12.133,834 8.111,835 4.253,836 3.611,837 1.433,838 1.035,839 7.138,840 11.947,841 4.043,842 4.632,843 5.207,844 5.777,845 6.268,846 6.358,847 6.715,848 7.099,849 7.286,850 7.679,851 1,852 56,853 13.679,854 5.798,855 7.423,856 27.089,857 22.84,859 1.923,860 71.167,864 353.133,865 178.999,866 88.277,871 178.999,872 353.133,873 88.277,875 16.026,876 141.202,877 76.227,878 55.219,879 2.144,880 329.591,882 353.133,883 267.276,887 329.591,888 23.542,891 82.027,892 134.892,893 50.357,895 353.133,896 88.277,897 178.999,900 353.133,901 37.713,902 144.41,903 34.796,904 50.357,905 353.133,906 88.277,907 178.999,909 0.57,910 0.332,911 0.187,912 0.103,913 28,914 10,915 0.122,916 9,917 2,918 1.129,919 4.957,920 362.892,921 0.129,922 31,923 188.75,928 23.695,929 11.146,930 5.678,931 2.101,932 71.492,933 31.305,934 14.106,935 3.534,938 7.227,940 34.796,941 620.409,942 56,952 68.098,953 77.387,954 0.219,955 0.547,956 0.743,957 0.895,958 0.934,959 0.948,960 5.257,961 1.618,962 6.089,963 6.118,964 4.745,965 5.321,966 1.609,967 6.86,968 4.682,969 6.434,970 1.554,971 7.609,972 4.312,973 4.111,974 4.902,975 0.325,976 7.644,977 4.012,978 7.714,979 1.532,980 9.23,981 4.261,982 6.29,983 7.483,984 1.293,985 10.767,986 6.161,987 9.03,988 1.474,989 10.915,990 3.536,991 6.538,992 7.952,993 0.604,994 12.452,995 6.364,996 10.38,997 1.323,998 12.642,999 3.233,1000 8.113,1001 9.943,1002 1.153,1003 15.059,1004 7.914,1005 11.754,1006 1.245,1007 14.4,1008 2.938,1009 8.796,1010 10.865,1011 0.783,1012 17.125,1013 8.548,1014 13.148,1015 1.07,1016 16.181,1017 2.78,1018 10.104,1019 12.58,1020 1.099,1021 19.563,1022 9.831,1023 3.142,1024 1,1025 17.979,1026 2.352,1027 11.008,1028 13.75,1029 0.91,1030 21.796,1031 10.684,1032 2.974,1033 10.873,1034 19.792,1035 2.275,1036 12.198,1037 15.329,1038 1.098,1039 24.181,1040 11.846,1041 2.688,1042 9.487,1043 21.616,1044 4.402,1045 13.211,1046 16.634,1047 1.011,1048 26.488,1049 12.812,1050 2.53,1051 8.122,1052 23.449,1053 3.883,1054 14.354,1055 18.148,1056 1.13,1057 28.859,1058 13.922,1059 2.46,1060 7.263,1061 25.291,1062 3.641,1063 15.42,1064 19.527,1065 1.101,1066 31.2,1067 14.944,1068 2.136,1069 6.959,1070 27.14,1071 3.444,1072 16.546,1073 21.012,1074 1.183,1075 33.569,1076 16.034,1077 2.024,1078 6.318,1079 28.994,1080 2.951,1081 17.64,1082 22.433,1083 1.186,1084 35.928,1085 17.086,1086 21962,1087 32416,1088 29.701,1089 46.932,1090 62.576,1091 62.132,1092 62.482,1093 62.076,1094 62.082,1095 82.438,1096 5.783,1097 172.15,1098 60.14,1099 5.417,1100 5.462,1101 6.499,1102 5.157,1103 5.142,1104 7.402,1105 1.816,1106 18.083,1107 5.028,1109 1.49,1110 1.479,1111 1.488,1112 1.478,1113 1.478,1114 1.963,1115 0.138,1116 4.099,1117 1.432,1118 4.118,1119 4.165,1120 4.075,1121 3.997,1122 5.065,1123 4.009,1124 4,1125 4.041,1126 3.938,1127 3.909,1128 4.899,1129 3.911,1130 3.927,1131 3.966,1132 3.86,1133 3.853,1134 4.867,1135 3.85,1136 3.862,1137 3.902,1138 3.796,1139 3.76,1140 4.726,1141 3.764,1142 3.582,1143 3.644,1144 3.481,1145 3.436,1146 4.362,1147 3.438,1148 3.459,1149 3.528,1150 3.318,1151 3.317,1152 4.187,1153 3.31,1154 3.41,1155 3.486,1156 3.282,1157 3.232,1158 4.111,1159 3.235,1160 3.247,1161 3.326,1162 3.113,1163 3.062,1164 3.927,1165 3.064,1166 0.106,1167 0.082,1168 0.159,1169 0.098,1170 0.075,1171 4.464,1172 0.105,1173 3.462,1174 0.025,1175 6.697,1176 0.259,1177 4.104,1178 0.072,1179 3.142,1180 4.402,1181 1.057,1182 10.873,1183 3.028,1184 1.978,1185 1.942,1186 2.108,1187 2.1,1188 1.427,1189 2.105,1190 1.923,1191 1.892,1192 2.049,1193 2.026,1194 1.225,1195 2.035,1196 1.91,1197 1.881,1198 2.011,1199 2.007,1200 1.099,1201 2.01,1202 1.839,1203 1.799,1204 1.966,1205 1.963,1206 1.063,1207 1.969,1208 1.598,1209 1.537,1210 1.768,1211 1.805,1212 0.978,1213 1.797,1214 1.481,1215 1.417,1216 1.708,1217 1.662,1218 0.845,1219 1.683,1220 1.393,1221 1.32,1222 1.621,1223 1.625,1224 0.782,1225 1.632,1226 1.21,1227 1.136,1228 1.446,1229 1.449,1230 0.665,1231 1.455,1232 4.443,1233 5.746,1234 2.398,1235 7.248,1236 4.727,1237 8.838,1238 6.823,1239 10.473,1247 6.586,1248 3.493,1251 0.276,1252 2.539,1257 43.977,1258 92.398,1259 230.666,1260 313.018,1261 377.124,1262 393.488,1263 399.488,1264 46.891,1265 8.335,1266 69.73,1267 69.73,1268 35,1269 12.786,1270 4.858,1271 3.907,1272 50.978,1273 176,1274 232,1275 0.129,1276 266.482,1277 447.88,1278 641.977,1279 52858,1281 24.865,1282 0.672,1283 0.567,1284 24.865,1285 20.976,1286 18.315,1287 0.436,1288 0.312,1289 12.999,1290 17.889,1291 12.719,1292 10.525,1293 18.315,1294 13.116,1295 15.998,1296 0.281,1297 0.172,1298 15.998,1299 9.803,1300 13.762,1301 0.181,1302 0.094,1303 13.762,1304 7.167,1305 11.853,1306 0.117,1307 0.053,1308 11.853,1309 5.324,1310 9.875,1311 0.077,1312 0.03,1313 9.875,1314 3.889,1315 0.206,1316 112.688,1317 0.183,1318 34.091,1319 0.346,1320 198,1321 451.246,1322 209.407,1323 454.644,1324 645.98,1325 432,1326 232,1327 490.592,1328 245.128,1329 504.33,1330 735.65,1331 477,1332 5}
{0 CHEMBL1169660,1 2.011,2 12.094,3 4.401,4 19.366,5 123.252,6 10.767,7 0.529,8 4.003,9 4.067,10 3.976,11 3.623,12 5.236,13 3.603,14 4.492,15 4.582,16 4.318,17 3.985,18 5.969,19 3.953,20 4.749,21 4.878,22 4.507,23 4.106,24 6.136,25 4.054,26 4.735,27 4.855,28 4.437,29 4.002,30 6.166,31 3.983,32 4.705,33 4.807,34 4.526,35 4.012,36 6.329,37 4.006,38 4.695,39 4.811,40 4.441,41 4.074,42 6.204,43 4.05,44 4.771,45 4.923,46 4.352,47 4.11,48 6.094,49 4.042,50 4.758,51 4.913,52 4.394,53 4.054,54 6.097,55 3.982,56 0.269,57 0.675,58 5.245,59 4.294,60 35.589,61 3.647,62 0.658,63 1.021,64 9.443,65 7.006,66 76.068,67 6.568,68 0.989,69 1.225,70 30.416,71 10.482,72 100.4,73 9.675,74 1.129,75 1.202,76 29.211,77 9.954,78 125.462,79 7.568,80 1.288,81 1.149,82 26.446,83 8.975,84 162.053,85 6.954,86 0.948,87 1.191,88 18.354,89 8.898,90 104.591,91 8.353,92 0.961,93 1.283,94 21.083,95 10.259,96 86.175,97 10.227,98 1.062,99 1.176,100 31.333,101 10.741,102 118.519,103 9.948,104 54,105 48,106 0.338,107 0.679,108 0.802,109 0.903,110 0.917,111 0.917,112 3.502,113 1.025,114 -3.4,115 -3.38,116 -3.23,119 41.7,125 2,138 8,139 1,140 6,141 1,143 1,151 1,163 5,165 2,166 3,169 3,171 2,172 8,176 10,179 2,180 1,181 3,183 7,186 1,187 9,190 1,192 4,194 1,197 4,198 6,201 1,203 5,205 4,208 1,209 9,212 1,214 4,217 3,221 7,224 2,225 1,226 4,227 6,231 6,236 1,238 8,241 2,242 5,245 3,247 1,249 8,252 1858,253 20.963,254 20.963,255 20.963,256 20.963,257 20.963,258 18.252,259 19.756,260 12.373,261 21.751,262 16.715,263 16.715,264 16.715,265 16.715,266 16.715,267 12.59,268 18.983,269 5.822,270 18.218,271 3.574,272 1.542,273 0.807,274 0.208,275 0.125,276 0.125,277 4.178,279 3,283 1,284 802,285 4.243,288 328.574,295 1.674,296 57.478,299 0.75,300 0.83,301 0.83,302 0.3,304 0.83,305 1,306 0.65,307 71.5,308 387,309 4.866,310 4.688,311 7.316,312 4.327,313 3.409,314 4.718,315 1.058,316 12.554,317 3.103,318 4.371,319 3.605,320 6.472,321 3.992,322 3.024,323 3.991,324 0.86,325 10.049,326 2.942,327 4.2,328 3.279,329 6.15,330 3.754,331 2.814,332 3.835,334 9.052,335 2.613,336 4.089,337 3.206,338 5.891,339 3.554,340 2.681,341 3.701,343 8.03,344 2.267,345 3.513,346 2.867,347 5.119,348 3.104,349 2.183,350 2.804,352 6.087,353 2.028,354 3.384,355 2.54,356 4.93,357 2.926,358 2.014,359 2.643,361 5.574,362 1.715,363 3.107,364 2.153,365 4.836,366 2.613,367 1.674,368 2.332,370 4.952,371 1.524,372 2.925,373 1.924,374 4.285,375 2.442,376 1.485,377 2.088,379 3.946,380 1.4,381 2.819,382 1.864,383 4.039,384 2.406,385 1.446,386 1.947,388 3.511,389 1.376,390 2.79,391 1.621,392 3.943,393 2.305,394 1.414,395 1.909,397 3.272,398 1.249,399 2.645,400 1.427,401 3.606,402 2.274,403 1.329,404 1.675,406 2.926,407 1.193,408 2.365,409 1.31,410 3.259,411 1.995,412 1,413 1.289,415 2.052,416 0.986,417 1.684,418 0.999,419 3.221,420 1.29,421 0.417,422 0.506,424 1.015,425 0.349,426 1.37,427 0.81,428 2.98,429 1.049,430 0.141,431 0.156,433 0.247,434 0.123,435 1.295,436 0.763,437 2.715,438 0.845,439 0.099,440 0.118,442 0.194,443 0.06,444 15.843,445 0.495,446 0.964,447 0.03,448 44,449 1.375,450 23.5,451 0.734,452 20.5,453 0.641,454 26.482,455 0.828,456 34.557,457 0.72,458 38.232,459 1.195,460 8.735,461 0.273,462 6.472,463 0.202,464 0.219,465 0.053,466 0.284,472 0.706,473 1.256,474 0.6,475 0.994,476 0.734,477 0.768,478 0.738,479 1.131,480 0.696,481 0.863,482 0.669,483 0.875,484 1.042,485 1.056,486 0.943,487 1,488 0.942,489 0.925,490 1.377,491 1.102,492 0.907,493 0.979,494 1.384,495 0.88,496 1.025,497 0.98,498 0.657,499 0.804,500 1.252,501 0.831,502 0.752,503 1.087,504 0.724,505 0.999,506 0.724,507 0.986,508 0.895,509 1.034,510 0.765,511 0.867,512 0.757,513 0.976,514 1.13,515 0.986,516 1.081,517 1.007,518 1.118,519 0.979,520 8,521 0.206,522 4.667,523 2.5,524 2.329,525 1.347,526 0.792,527 0.727,528 0.596,529 0.334,530 12592,531 54726,532 1.968,533 33.3,535 12,537 1,538 3,542 1.75,543 1.803,544 3.529,545 0.977,550 96.52,551 2.011,552 4.042,553 4.778,554 5.377,555 5.46,556 5.46,557 3.015,558 4.301,559 4.97,560 3.676,561 1823.36,562 8.725,563 26394,568 268.078,569 1.663,570 4.899,571 0.235,572 0.007,573 0.097,574 0.049,575 0.049,576 0.026,577 0.016,578 0.015,579 0.014,580 0.009,581 0.517,582 0.33,583 0.88,584 1.261,585 167.088,586 -0.053,587 -0.093,588 0.051,589 -0.049,590 -0.156,591 0.04,592 0.075,593 -0.03,594 -0.008,595 0.025,596 0.107,597 -0.041,598 -0.08,599 -0.037,600 0.02,601 0.007,602 -0.052,603 0.034,604 -0.235,605 -0.053,606 -0.03,607 0.038,608 -0.211,609 0.028,610 0.117,611 0.063,612 0.118,613 0.102,614 0.025,615 0.016,616 0.117,617 -0.057,618 0.035,619 -0.126,620 0.127,621 -0.09,622 -0.045,623 -0.025,624 0.019,625 0.055,626 -0.009,627 0.001,628 -0.157,629 -0.012,630 -0.036,631 0.009,632 -0.152,633 0.042,634 5.018,635 5.847,636 0.563,637 31.199,638 1.043,639 1.117,640 2.165,641 4.688,642 0.742,643 3.555,644 3.892,645 4.111,646 4.317,647 4.564,648 4.595,649 4.635,650 4.7,651 4.787,652 4.787,653 6.962,654 0.719,655 516.81,656 3.555,657 5.106,658 5.943,659 6.823,660 7.685,661 8.57,662 9.44,663 10.327,664 11.202,665 12.091,666 6.3,671 1,673 1,676 1,681 9,682 1,686 8,688 18,692 1,701 1,702 3,703 48,705 21,706 2,707 34,709 50,710 20,711 17,712 5,713 7,714 1,717 3,718 3,719 3,721 1,729 18,730 2,733 3,736 1,737 3,741 1,747 16,748 8,749 3,750 12,751 4,755 3,760 1,761 5,762 1,770 1,776 3,794 1,796 3,799 1,802 3,805 32,808 1,809 1,810 2,811 2,812 1,824 3,825 10.4,826 1,828 3,830 1,832 17.75,833 8.412,834 7.069,835 2.532,836 3.62,837 1.483,838 0.96,839 8.218,840 11.115,841 3.85,842 4.483,843 4.978,844 5.494,845 6.034,846 6.193,847 6.435,848 6.687,849 7.024,850 7.305,851 1,852 51,853 12.159,854 5.578,855 8.242,856 21.411,857 17.207,859 2.742,860 87.75,864 153.024,865 125.528,866 51.201,867 117.446,868 123.141,870 5.807,871 119.721,872 393.611,873 51.201,875 20.116,876 124.301,877 119.124,878 43.286,879 4.815,880 141.253,881 117.446,882 153.024,883 170.922,884 123.141,885 123.253,887 153.024,888 80.458,889 42.683,891 29.164,892 108.568,893 156.444,895 153.024,896 174.342,897 242.974,899 5.807,900 153.024,901 34.863,902 84.857,903 34.416,904 257.373,905 153.024,906 174.342,907 242.974,909 0.585,910 0.335,911 0.169,912 0.1,913 21,914 11,915 0.16,916 8,918 1,919 4.097,920 287.684,922 18,923 158,927 1,928 24.575,929 10.701,930 6.262,932 174.342,933 12.709,934 4.046,938 0.367,940 77.099,941 570.341,942 46,945 -4.101,946 38.043,950 -0.485,952 50.058,953 53.616,954 0.36,955 0.724,956 0.855,957 0.963,958 0.978,959 0.978,960 5.091,961 1.485,962 5.969,963 4.952,964 4.575,965 5.17,966 1.552,967 6.815,968 4.411,969 6.34,970 1.446,971 7.564,972 3.946,973 4.369,974 5.263,976 7.991,977 4.06,978 7.692,979 1.414,980 9.272,981 3.511,982 6.248,983 7.478,984 1.527,985 11.025,986 5.939,987 9.086,988 1.329,989 11.049,990 3.272,991 6.836,992 8.358,994 13.024,995 6.392,996 10.514,997 1,998 12.87,999 2.926,1000 8.253,1001 10.126,1002 1.53,1003 15.663,1004 7.796,1005 11.968,1006 0.417,1007 14.724,1008 2.052,1009 9.183,1010 11.347,1012 17.975,1013 8.609,1014 13.441,1015 0.141,1016 16.601,1017 1.015,1018 10.44,1019 12.955,1020 1.557,1021 20.51,1022 9.829,1023 3.409,1024 0.099,1025 18.497,1026 0.247,1027 11.518,1028 14.334,1030 22.944,1031 10.803,1032 3.024,1033 12.554,1034 20.407,1035 0.194,1036 12.723,1037 15.884,1038 1.603,1039 25.457,1040 11.951,1041 2.814,1042 10.049,1043 22.329,1044 4.718,1045 13.865,1046 17.338,1048 27.941,1049 12.998,1050 2.681,1051 9.052,1052 24.26,1053 3.991,1054 15.059,1055 18.87,1056 1.663,1057 30.453,1058 14.12,1059 2.183,1060 8.03,1061 26.2,1062 3.835,1063 16.232,1064 20.364,1066 32.96,1067 15.201,1068 2.014,1069 6.087,1070 28.147,1071 3.701,1072 17.427,1073 21.894,1074 1.734,1075 35.477,1076 16.313,1077 1.674,1078 5.574,1079 30.099,1080 2.804,1081 18.617,1082 23.41,1084 37.994,1085 17.411,1086 12554,1087 26397,1088 21.671,1089 35.602,1090 50.375,1091 53.923,1092 53.035,1093 50.534,1094 50.256,1095 67.425,1096 3.837,1097 146.926,1098 45.859,1099 5.74,1100 6.688,1101 7.179,1102 5.421,1103 5.409,1104 7.718,1105 2.117,1106 20.023,1107 5.103,1108 19.828,1109 1.482,1110 1.586,1111 1.56,1112 1.486,1113 1.478,1114 1.983,1115 0.113,1116 4.321,1117 1.349,1118 4.093,1119 4.074,1120 4.74,1121 4.077,1122 7.717,1123 3.996,1124 3.943,1125 3.954,1126 4.057,1127 3.86,1128 7.429,1129 3.863,1130 3.818,1131 3.845,1132 3.99,1133 3.735,1134 6.999,1135 3.736,1136 3.596,1137 3.645,1138 3.863,1139 3.546,1140 6.456,1141 3.46,1142 3.58,1143 3.559,1144 3.454,1145 3.349,1146 5.066,1147 3.362,1148 3.197,1149 3.223,1150 3.4,1151 2.974,1152 5.025,1153 2.995,1154 3.01,1155 3.014,1156 3.325,1157 2.848,1158 4.781,1159 2.86,1160 2.878,1161 2.922,1162 3.095,1163 2.793,1164 4.49,1165 2.766,1166 0.143,1167 0.138,1168 0.215,1169 0.127,1170 0.1,1171 4.866,1172 0.139,1173 4.688,1174 0.031,1175 7.316,1176 0.369,1177 4.327,1178 0.091,1179 3.409,1180 4.718,1181 1.058,1182 12.554,1183 3.103,1184 1.959,1185 1.973,1186 2,1187 2.044,1188 1.164,1189 2.063,1190 1.901,1191 1.885,1192 1.914,1193 1.99,1194 1.089,1195 2,1196 1.775,1197 1.751,1198 1.829,1199 1.885,1200 0.986,1201 1.883,1202 1.52,1203 1.454,1204 1.777,1205 1.779,1206 0.923,1207 1.782,1208 1.397,1209 1.445,1210 1.274,1211 1.535,1212 0.518,1213 1.574,1214 1.095,1215 1.067,1216 1.171,1217 1.378,1218 0.287,1219 1.342,1220 0.917,1221 0.898,1222 1.126,1223 1.122,1224 0.177,1225 1.113,1226 0.868,1227 0.824,1228 1.086,1229 1.017,1230 0.162,1231 1.058,1232 4.234,1233 5.565,1235 7.088,1237 8.699,1239 10.356,1242 17.793,1246 8.914,1247 -0.171,1248 4.882,1249 5.754,1257 34.522,1258 96.52,1259 194.039,1260 229.323,1261 258.078,1262 262.078,1263 262.078,1264 100.055,1265 7.495,1266 117.62,1267 126,1268 18,1269 12.624,1270 4.459,1271 3.7,1272 60.868,1273 131,1274 156,1275 0.223,1276 227.657,1277 399.47,1278 547.243,1279 19193,1280 6.3,1281 23.303,1282 0.728,1283 0.602,1284 25.053,1285 19.264,1286 15.208,1287 0.447,1288 0.342,1289 9.081,1290 12.996,1291 8.717,1292 7.164,1293 16.895,1294 11.621,1295 14.159,1296 0.295,1297 0.192,1298 16.61,1299 9.199,1300 11.211,1301 0.187,1302 0.105,1303 13.466,1304 6.308,1305 8.629,1306 0.117,1307 0.056,1308 10.305,1309 4.135,1310 7.224,1311 0.076,1312 0.032,1313 9.152,1314 3.085,1315 0.347,1316 113.373,1317 0.215,1318 29.656,1319 0.622,1320 164,1321 622.873,1322 264.88,1323 701.266,1324 900.08,1325 642,1326 190,1327 545.271,1328 289.985,1329 612.575,1330 894.52,1331 573,1332 5.8}
{0 CHEMBL1170725,1 2.035,2 10.074,3 4.864,4 23.658,5 105.917,6 11.404,7 0.621,8 3.804,9 3.861,10 3.856,11 3.477,12 5.016,13 3.446,14 4.29,15 4.376,16 4.206,17 3.831,18 5.784,19 3.796,20 4.509,21 4.611,22 4.388,23 3.944,24 5.924,25 3.885,26 4.502,27 4.616,28 4.25,29 3.823,30 5.86,31 3.774,32 4.465,33 4.585,34 4.358,35 3.796,36 6.044,37 3.765,38 4.388,39 4.503,40 4.258,41 3.819,42 5.94,43 3.79,44 4.432,45 4.58,46 4.105,47 3.847,48 5.692,49 3.761,50 4.417,51 4.567,52 4.148,53 3.776,54 5.826,55 3.675,56 0.186,57 0.551,58 2.881,59 3.32,60 20.845,61 2.78,62 0.504,63 0.841,64 6.386,65 5.444,66 55.03,67 5.114,68 0.742,69 0.993,70 20.808,71 7.728,72 61.368,73 6.408,74 0.816,75 0.976,76 22.228,77 8.242,78 78.47,79 5.74,80 0.99,81 0.926,82 23.727,83 7.567,84 111.002,85 6.332,86 0.685,87 0.895,88 13.08,89 6.343,90 72.564,91 5.801,92 0.594,93 0.952,94 12.625,95 6.977,96 50.363,97 6.31,98 0.761,99 0.813,100 27.524,101 8.565,102 73.302,103 8.377,104 37,105 42,106 0.357,107 0.658,108 0.788,109 0.888,110 0.897,111 0.897,112 3.34,113 1.046,114 -3.91,115 -3.87,116 -3.67,119 43.6,120 1,138 6,140 6,141 2,142 1,143 1,163 2,165 2,166 3,169 2,171 1,172 4,175 1,176 10,179 2,181 2,183 6,187 5,192 2,194 2,197 5,198 5,203 2,205 3,209 9,212 1,214 3,217 3,221 4,227 4,230 2,231 7,238 6,242 4,249 6,252 1163,253 17.471,254 17.471,255 17.471,256 17.471,257 17.471,258 14.8,259 15.448,260 10.061,261 18.251,262 14.272,263 14.272,264 14.272,265 14.272,266 14.272,267 10.343,268 14.127,269 4.78,270 15.771,271 3.251,272 1.533,273 0.795,274 0.224,275 0.173,276 0.173,277 4.014,279 3,282 1,283 1,284 572,285 3.464,288 273.258,295 1.421,296 42.367,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 59.5,308 272,309 4.866,310 4.688,311 7.316,312 4.327,313 3.409,314 4.718,315 0.86,316 12.554,317 3.102,318 4.292,319 3.287,320 6.235,321 3.858,322 2.933,323 3.933,325 9.369,326 2.705,327 4.117,328 3.264,329 5.959,330 3.654,331 2.726,332 3.738,334 8.357,335 2.543,336 4.072,337 2.971,338 5.886,339 3.547,340 2.657,341 3.691,343 8.016,344 2.265,345 3.455,346 2.645,347 4.958,348 2.966,349 2.106,350 2.773,352 5.803,353 1.725,354 3.109,355 2.154,356 4.869,357 2.619,358 1.69,359 2.334,361 5.037,362 1.522,363 2.925,364 1.993,365 4.359,366 2.426,367 1.49,368 2.091,370 4.125,371 1.398,372 2.857,373 1.684,374 4.074,375 2.403,376 1.414,377 2.002,379 3.525,380 1.369,381 2.819,382 1.501,383 4.035,384 2.305,385 1.414,386 1.946,388 3.481,389 1.223,390 2.77,391 1.426,392 3.598,393 2.251,394 1.322,395 1.882,397 2.961,398 1.193,399 1.71,400 0.812,401 3.258,402 1.312,403 0.438,404 0.538,406 1.063,407 0.368,408 1.37,409 0.765,410 2.986,411 0.901,412 0.107,413 0.128,415 0.236,416 0.065,417 1.235,418 0.311,419 2.715,420 0.813,421 -0.059,422 -0.072,424 -0.139,425 -0.052,426 1,427 0.265,428 2.375,429 0.568,430 -0.309,431 -0.376,433 -0.829,434 -0.227,435 0.99,436 0.022,437 2.353,438 0.252,439 -0.646,440 -0.819,442 -1.569,443 -0.438,444 13.676,445 0.507,446 0.913,447 0.034,448 39.5,449 1.463,450 22,451 0.815,452 17.5,453 0.648,454 20.843,455 0.772,456 28.324,457 0.726,458 30.198,459 1.118,460 7.629,461 0.283,462 5.13,463 0.19,464 0.242,465 0.061,466 0.292,472 0.613,473 1.3,474 0.581,475 1.034,476 0.696,477 0.767,478 0.705,479 1.145,480 0.658,481 0.826,482 0.597,483 0.786,484 1.149,485 1.073,486 1.041,487 1.079,488 1.013,489 1.009,490 1.566,491 1.162,492 0.983,493 1.089,494 1.506,495 1.006,496 0.854,497 0.897,498 0.606,499 0.794,500 1.252,501 0.795,502 0.666,503 1.062,504 0.74,505 0.999,506 0.69,507 0.926,508 1.048,509 1.026,510 0.866,511 0.887,512 0.918,513 1.003,514 0.963,515 0.892,516 1.228,517 1.132,518 0.97,519 1.012,520 7.5,521 0.12,522 4.222,523 2,524 2.169,525 1.139,526 0.609,527 0.653,528 0.374,529 0.208,530 8011,531 34214,532 1.984,533 30.8,535 6,537 2,538 1,539 3,542 1.706,543 1.81,544 3.299,545 -0.199,550 79.36,551 2.035,552 3.753,553 4.49,554 5.061,555 5.112,556 5.112,557 2.7,558 4.533,559 4.728,560 3.442,561 1208.18,562 8.234,563 15347.3,565 1,568 206.131,569 1.698,570 4.65,571 0.259,572 0.008,573 0.101,574 0.047,575 0.059,576 0.028,577 0.015,578 0.019,579 0.012,580 0.009,581 0.556,582 0.33,583 1,584 0.658,585 132.542,586 0.01,587 -0.191,588 0.06,589 -0.135,590 -0.171,591 -0.004,592 0.13,593 -0.077,594 0.026,595 0.039,596 0.221,597 0.021,598 -0.118,599 -0.032,600 -0.092,601 -0.089,602 -0.068,603 -0.125,604 -0.373,605 -0.128,606 -0.096,607 -0.033,608 -0.291,609 -0.085,610 0.301,611 0.125,612 0.222,613 0.159,614 0.127,615 0.121,616 0.218,617 -0.032,618 0.063,619 -0.131,620 0.269,621 -0.043,622 -0.207,623 0.001,624 -0.045,625 0.049,626 -0.131,627 -0.036,628 0.054,629 0.031,630 -0.053,631 -0.031,632 0.082,633 0.091,634 4.898,635 5.696,636 0.667,637 22.379,638 1.042,639 1.112,640 2.681,641 7.188,642 0.774,643 3.401,644 3.761,645 3.97,646 4.159,647 4.419,648 4.419,649 4.419,650 4.5,651 4.511,652 4.511,653 6.037,654 0.745,655 444.74,656 3.401,657 4.963,658 5.802,659 6.686,660 7.547,661 8.431,662 9.3,663 10.186,664 11.059,665 11.945,666 7.7,671 1,676 2,681 8,682 2,686 8,688 18,701 1,702 3,703 39,705 20,706 1,707 29,709 41,710 17,711 16,712 3,713 3,717 3,718 3,719 3,721 1,729 16,730 1,733 2,736 1,737 2,747 12,748 6,749 1,750 10,751 4,755 3,760 1,761 3,770 2,776 3,796 3,799 1,801 1,802 3,805 27,808 1,811 1,812 1,824 3,825 7.7,828 2,830 1,832 14.917,833 7.412,834 5.792,835 2.063,836 3.346,837 1.472,838 0.99,839 6.01,840 10.439,841 3.714,842 4.388,843 4.877,844 5.385,845 5.942,846 6.059,847 6.258,848 6.544,849 6.838,850 7.125,851 0.857,852 43,853 10.222,854 4.683,855 8.114,856 18.162,857 14.664,859 2.614,860 70.583,864 129.482,865 117.209,866 49.976,867 117.446,868 55.313,870 5.807,871 111.402,872 302.241,873 49.976,874 8.825,876 62.665,877 117.831,878 51.904,879 4.815,880 105.94,881 117.446,882 129.482,883 161.378,884 55.313,885 123.253,887 129.482,888 55.313,891 29.677,892 81.725,893 173.229,895 129.482,896 105.289,897 234.655,899 5.807,900 129.482,901 27.624,902 83.778,903 16.405,904 206.33,905 129.482,906 105.289,907 234.655,909 0.598,910 0.34,911 0.164,912 0.097,913 20,914 10,915 0.122,916 5,918 1,919 3.717,920 229.608,922 18,923 124.382,927 1,928 20.019,929 8.106,930 4.764,932 105.289,933 11.713,934 8.186,938 1.672,940 16.405,941 469.426,942 40,945 -3.982,946 25.393,952 40.636,953 43.366,954 0.385,955 0.71,956 0.85,957 0.958,958 0.967,959 0.967,960 4.959,961 1.414,962 5.844,963 4.125,964 4.443,965 5.075,966 0.908,967 6.693,968 4.248,969 6.228,970 1.414,971 7.445,972 3.525,973 4.29,974 5.198,976 7.888,977 3.93,978 7.59,979 1.322,980 9.157,981 3.481,982 6.133,983 7.413,984 0.739,985 10.903,986 5.763,987 8.992,988 0.438,989 10.936,990 2.961,991 6.746,992 8.299,994 12.914,995 6.217,996 10.426,997 0.107,998 12.759,999 1.063,1000 8.15,1001 10.072,1002 0.593,1003 15.552,1004 7.6,1005 11.883,1006 -0.059,1007 14.613,1008 0.236,1009 9.09,1010 11.294,1012 17.877,1013 8.401,1014 13.36,1015 -0.309,1016 16.492,1017 -0.139,1018 10.343,1019 12.907,1020 0.469,1021 20.419,1022 9.609,1023 3.409,1024 -0.646,1025 18.39,1026 -0.829,1027 11.425,1028 14.286,1030 22.866,1031 10.571,1032 2.933,1033 12.554,1034 20.302,1035 -1.569,1036 12.631,1037 15.841,1038 0.366,1039 25.388,1040 11.711,1041 2.726,1042 9.369,1043 22.228,1044 4.718,1045 13.777,1046 17.297,1048 27.883,1049 12.749,1050 2.657,1051 8.357,1052 24.164,1053 3.933,1054 14.974,1055 18.833,1056 0.283,1057 30.405,1058 13.866,1059 2.106,1060 8.016,1061 26.108,1062 3.738,1063 16.151,1064 20.33,1066 32.919,1067 14.942,1068 1.69,1069 5.803,1070 28.06,1071 3.691,1072 17.35,1073 21.863,1074 0.217,1075 35.444,1076 16.054,1077 1.49,1078 5.037,1079 30.018,1080 2.773,1081 18.545,1082 23.382,1084 37.966,1085 17.151,1086 7904,1087 16551,1088 18.493,1089 30.17,1090 43.641,1091 45.749,1092 45.551,1093 43.619,1094 43.409,1095 59.545,1096 1.72,1097 129.057,1098 38.954,1099 5.721,1100 6.688,1101 7.004,1102 5.414,1103 5.409,1104 7.718,1105 1.72,1106 20.021,1107 5.102,1108 16.057,1109 1.505,1110 1.578,1111 1.571,1112 1.504,1113 1.497,1114 2.053,1115 0.059,1116 4.45,1117 1.343,1118 4.091,1119 4.07,1120 4.74,1121 4.076,1122 7.717,1123 3.993,1124 3.91,1125 3.931,1126 4.057,1127 3.797,1128 6.999,1129 3.808,1130 3.801,1131 3.834,1132 3.984,1133 3.71,1134 5.08,1135 3.71,1136 3.595,1137 3.559,1138 3.813,1139 3.545,1140 5.026,1141 3.459,1142 3.17,1143 3.257,1144 3.4,1145 3.023,1146 4.89,1147 3,1148 2.984,1149 2.99,1150 3.323,1151 2.819,1152 4.536,1153 2.826,1154 2.878,1155 2.922,1156 3.094,1157 2.792,1158 4.49,1159 2.765,1160 2.809,1161 2.871,1162 2.964,1163 2.626,1164 4.188,1165 2.634,1166 0.168,1167 0.162,1168 0.252,1169 0.149,1170 0.118,1171 4.866,1172 0.163,1173 4.688,1174 0.03,1175 7.316,1176 0.433,1177 4.327,1178 0.107,1179 3.409,1180 4.718,1181 0.86,1182 12.554,1183 3.102,1184 1.958,1185 1.973,1186 1.957,1187 2.039,1188 1.164,1189 2.062,1190 1.85,1191 1.825,1192 1.913,1193 1.974,1194 1.006,1195 1.977,1196 1.762,1197 1.732,1198 1.825,1199 1.875,1200 0.918,1201 1.875,1202 1.397,1203 1.445,1204 1.551,1205 1.535,1206 0.601,1207 1.574,1208 1.207,1209 1.127,1210 1.17,1211 1.418,1212 0.518,1213 1.469,1214 0.87,1215 0.853,1216 1.088,1217 1.091,1218 0.163,1219 1.068,1220 0.864,1221 0.824,1222 1.009,1223 1.016,1224 0.08,1225 1.054,1226 0.749,1227 0.691,1228 0.893,1229 0.968,1230 0.022,1231 0.981,1232 4.078,1233 5.425,1235 6.961,1237 8.58,1239 10.238,1241 1.755,1242 17.724,1248 2.409,1249 5.714,1257 29.039,1258 79.36,1259 146.356,1260 175.111,1261 197.376,1262 199.376,1263 199.376,1264 64.753,1265 7.093,1266 81.18,1267 89.56,1268 18,1269 12.479,1270 4.392,1271 3.585,1272 46.719,1273 95,1274 97,1275 0.235,1276 193.815,1277 332.63,1278 464.668,1279 11058,1280 7.7,1281 19.604,1282 0.726,1283 0.625,1284 21.354,1285 16.864,1286 12.759,1287 0.44,1288 0.349,1289 7.607,1290 10.698,1291 7.193,1292 5.939,1293 14.446,1294 10.107,1295 12.353,1296 0.294,1297 0.198,1298 14.803,1299 8.31,1300 9.788,1301 0.188,1302 0.11,1303 12.043,1304 5.737,1305 7.354,1306 0.117,1307 0.059,1308 9.03,1309 3.705,1310 6.216,1311 0.076,1312 0.034,1313 8.144,1314 2.796,1315 0.362,1316 97.396,1317 0.233,1318 25.62,1319 0.666,1320 142,1321 520.3,1322 239.226,1323 609.695,1324 788.94,1325 558,1326 165,1327 480.894,1328 261.995,1329 549.433,1330 799.72,1331 513,1332 5.9}
{0 CHEMBL1171008,1 2.035,2 10.276,3 5.336,4 28.477,5 110.241,6 11.843,7 0.581,8 3.841,9 3.879,10 3.903,11 3.509,12 5.138,13 3.495,14 4.305,15 4.354,16 4.263,17 3.872,18 5.936,19 3.852,20 4.558,21 4.643,22 4.446,23 3.991,24 6.024,25 3.95,26 4.572,27 4.664,28 4.364,29 3.86,30 6.097,31 3.85,32 4.519,33 4.606,34 4.423,35 3.831,36 6.18,37 3.836,38 4.444,39 4.535,40 4.33,41 3.865,42 6.083,43 3.857,44 4.485,45 4.606,46 4.221,47 3.901,48 5.903,49 3.844,50 4.486,51 4.595,52 4.28,53 3.837,54 5.942,55 3.777,56 0.276,57 0.531,58 2.192,59 3.417,60 39.072,61 2.49,62 0.629,63 0.801,64 2.631,65 5.26,66 83.4,67 4.42,68 0.892,69 0.993,70 19.715,71 8.247,72 96.612,73 6.779,74 1.125,75 1.015,76 21.715,77 8.682,78 126.344,79 5.768,80 1.182,81 0.936,82 20.903,83 7.631,84 146.277,85 5.139,86 0.858,87 0.896,88 11.308,89 6.584,90 103.458,91 5.537,92 0.792,93 0.955,94 11.132,95 7.345,96 79.107,97 6.524,98 0.977,99 0.844,100 21.839,101 8.569,102 130.288,103 6.797,104 51,105 45,106 0.354,107 0.647,108 0.774,109 0.899,110 0.916,111 0.916,112 3.408,113 1.009,114 -4.12,115 -4.06,116 -3.84,119 45,138 8,139 1,140 6,141 1,143 1,151 1,160 1,162 1,163 5,164 1,165 2,166 3,169 3,171 2,172 8,173 1,176 10,177 1,179 2,181 3,183 7,184 2,186 1,187 9,190 1,192 4,194 1,195 1,197 4,198 6,199 1,203 4,205 4,208 1,209 9,212 1,214 3,215 1,217 3,218 1,221 7,224 1,225 1,226 2,227 6,231 6,232 2,238 8,239 1,241 2,242 5,245 2,247 1,249 8,250 2,252 1409,253 18.679,254 18.679,255 18.679,256 18.679,257 18.679,258 15.915,259 16.785,260 10.739,261 19.391,262 15.256,263 15.256,264 15.256,265 15.256,266 15.256,267 11.115,268 15.986,269 5.073,270 16.65,271 3.287,272 1.601,273 0.869,274 0.15,275 0.05,276 0.05,277 4.081,279 3,282 1,283 1,284 622,285 3.873,288 294.124,295 1.546,296 54.883,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 65,308 298,309 4.866,310 4.688,311 7.316,312 4.327,313 3.409,314 4.718,315 1.437,316 12.554,317 3.102,318 4.36,319 3.623,320 6.435,321 3.968,322 3.008,323 3.986,324 0.86,325 9.903,326 2.9,327 4.193,328 3.279,329 6.142,330 3.745,331 2.804,332 3.83,334 9.006,335 2.608,336 4.089,337 3.206,338 5.891,339 3.554,340 2.679,341 3.701,343 8.029,344 2.267,345 3.488,346 2.867,347 5.027,348 3.029,349 2.146,350 2.793,352 5.925,353 1.905,354 3.328,355 2.539,356 4.909,357 2.869,358 1.916,359 2.569,361 5.311,362 1.705,363 3.106,364 2.153,365 4.784,366 2.606,367 1.661,368 2.332,370 4.845,371 1.521,372 2.925,373 1.921,374 4.256,375 2.441,376 1.475,377 2.088,379 3.863,380 1.4,381 2.819,382 1.621,383 4.039,384 2.305,385 1.414,386 1.947,388 3.51,389 1.252,390 2.788,391 1.427,392 3.719,393 2.276,394 1.33,395 1.906,397 3.1,398 1.193,399 2.532,400 1.31,401 3.466,402 2.005,403 1,404 1.476,406 2.304,407 0.994,408 1.683,409 0.81,410 3.258,411 1.28,412 0.406,413 0.498,415 1.003,416 0.338,417 1.37,418 0.763,419 2.979,420 0.848,421 0.103,422 0.124,424 0.227,425 0.061,426 1.144,427 0.459,428 2.713,429 0.75,430 -0.181,431 -0.225,433 -0.499,434 -0.166,435 1,436 0.265,437 2.375,438 0.494,439 -0.362,440 -0.444,442 -0.91,443 -0.252,444 14.443,445 0.498,446 1.002,447 0.035,448 42,449 1.448,450 23.5,451 0.81,452 18.5,453 0.638,454 22.121,455 0.763,456 30.557,457 0.764,458 34.936,459 1.205,460 8.289,461 0.286,462 5.381,463 0.186,464 0.241,465 0.058,466 0.312,472 0.696,473 1.169,474 0.596,475 0.973,476 0.755,477 0.709,478 0.627,479 1.121,480 0.688,481 0.865,482 0.534,483 0.86,484 1.057,485 1.162,486 1.032,487 1.13,488 0.912,489 1.063,490 1.359,491 1.16,492 0.959,493 1.057,494 1.305,495 0.966,496 1.093,497 0.941,498 0.679,499 0.784,500 1.327,501 0.812,502 0.693,503 1.071,504 0.757,505 0.991,506 0.748,507 0.952,508 0.933,509 1.009,510 0.838,511 0.874,512 0.828,513 0.984,514 1.265,515 0.947,516 1.258,517 1.12,518 1.354,519 1.062,520 8,521 0.136,522 4.444,523 2.375,524 2.249,525 1.319,526 0.731,527 0.684,528 0.563,529 0.248,530 9537,531 44833,532 1.965,533 27.5,535 8,537 1,538 2,542 1.725,543 1.785,544 3.335,545 0.364,550 81.4,551 2.035,552 3.721,553 4.453,554 5.172,555 5.272,556 5.272,557 2.738,558 4.254,559 4.832,560 3.504,561 1422.72,562 8.444,563 19050.2,568 212.877,569 1.713,570 4.748,571 0.258,572 0.007,573 0.099,574 0.051,575 0.052,576 0.03,577 0.017,578 0.017,579 0.016,580 0.008,581 0.554,582 0.33,583 0.88,584 0.83,585 145.836,586 -0.046,587 -0.085,588 0.04,589 -0.071,590 -0.17,591 0.039,592 0.158,593 -0.067,594 -0.03,595 -0.018,596 0.221,597 -0.097,598 -0.136,599 -0.148,600 -0.077,601 -0.133,602 -0.078,603 -0.131,604 -0.238,605 -0.099,606 -0.071,607 -0.001,608 -0.198,609 -0.026,610 0.032,611 0.113,612 0.131,613 0.159,614 -0.098,615 0.073,616 0.168,617 -0.037,618 0.043,619 -0.123,620 0.146,621 -0.064,622 -0.103,623 0.019,624 -0.01,625 0.062,626 -0.042,627 0.009,628 -0.221,629 -0.008,630 -0.115,631 -0.042,632 -0.269,633 0.005,634 5.015,635 5.723,636 0.621,637 24.825,638 1.055,639 1.107,640 2.886,641 8.328,642 0.777,643 3.466,644 3.829,645 4.043,646 4.248,647 4.489,648 4.511,649 4.533,650 4.585,651 4.673,652 4.635,653 6.312,654 0.761,655 473.73,656 3.466,657 5.03,658 5.872,659 6.76,660 7.624,661 8.513,662 9.384,663 10.274,664 11.148,665 12.038,666 5,671 1,676 1,681 9,682 1,686 8,688 18,694 1,701 1,702 3,703 40,705 21,706 2,707 31,709 42,710 18,711 17,712 5,713 7,714 1,717 3,718 3,719 3,729 18,733 3,736 1,737 3,741 1,747 11,748 7,749 2,750 11,751 4,755 2,760 1,761 5,770 1,776 3,794 1,796 3,799 1,802 3,805 29,808 1,809 1,811 1,812 1,824 3,825 12.5,827 1,828 3,830 1,832 16.25,833 7.162,834 6.236,835 2.045,836 3.561,837 1.49,838 0.969,839 6.557,840 10.833,841 3.784,842 4.449,843 4.943,844 5.464,845 6.005,846 6.157,847 6.388,848 6.626,849 6.971,850 7.244,851 0.857,852 47,853 11.031,854 5.168,855 8.336,856 19.146,857 15.517,859 2.836,860 82.25,864 105.94,865 119.628,866 33.191,867 117.446,868 123.141,870 5.807,871 113.82,872 346.527,873 33.191,876 81.617,877 158.013,878 43.286,879 4.815,880 94.169,881 117.446,882 105.94,883 147.011,884 123.141,885 123.253,887 105.94,888 123.141,891 9.047,892 104.773,893 156.444,895 105.94,896 156.332,897 237.074,899 5.807,900 105.94,901 28.963,902 84.857,903 16.405,904 257.373,905 105.94,906 156.332,907 237.074,909 0.598,910 0.341,911 0.169,912 0.097,913 21,914 11,915 0.143,916 6,918 1,919 3.832,920 254.45,922 18,923 138.881,927 1,928 21.677,929 8.772,930 5.125,932 156.332,933 12.162,934 3.962,938 -0.183,940 59.088,941 499.345,942 43,945 -4.099,946 36.814,950 -1.215,952 42.189,953 44.287,954 0.382,955 0.699,956 0.837,957 0.972,958 0.991,959 0.991,960 5.034,961 1.475,962 5.916,963 4.845,964 4.511,965 5.136,966 1.888,967 6.774,968 4.342,969 6.302,970 1.414,971 7.522,972 3.863,973 4.369,974 5.263,976 7.974,977 4.048,978 7.664,979 1.33,980 9.239,981 3.51,982 6.205,983 7.463,984 2.362,985 10.997,986 5.885,987 9.065,988 1,989 11.021,990 3.1,991 6.825,992 8.354,994 13.004,995 6.361,996 10.497,997 0.406,998 12.847,999 2.304,1000 8.225,1001 10.118,1002 2.965,1003 15.641,1004 7.75,1005 11.953,1006 0.103,1007 14.703,1008 1.003,1009 9.169,1010 11.343,1012 17.957,1013 8.568,1014 13.428,1015 -0.181,1016 16.582,1017 0.227,1018 10.419,1019 12.95,1020 3.635,1021 20.491,1022 9.782,1023 3.409,1024 -0.362,1025 18.479,1026 -0.499,1027 11.502,1028 14.33,1030 22.928,1031 10.756,1032 3.008,1033 12.554,1034 20.39,1035 -0.91,1036 12.705,1037 15.88,1038 4.335,1039 25.442,1040 11.901,1041 2.804,1042 9.903,1043 22.313,1044 4.718,1045 13.85,1046 17.335,1048 27.928,1049 12.946,1050 2.679,1051 9.006,1052 24.245,1053 3.986,1054 15.043,1055 18.867,1056 5.05,1057 30.442,1058 14.065,1059 2.146,1060 8.029,1061 26.186,1062 3.83,1063 16.218,1064 20.362,1066 32.95,1067 15.143,1068 1.916,1069 5.925,1070 28.133,1071 3.701,1072 17.413,1073 21.892,1074 5.77,1075 35.469,1076 16.254,1077 1.661,1078 5.311,1079 30.087,1080 2.793,1081 18.604,1082 23.408,1084 37.987,1085 17.349,1086 9468,1087 20710,1088 19.592,1089 31.074,1090 47.064,1091 49.576,1092 48.959,1093 46.979,1094 46.703,1095 63.932,1096 4.593,1097 139.165,1098 42.494,1099 5.724,1100 6.688,1101 6.998,1102 5.418,1103 5.409,1104 7.718,1105 2.873,1106 20.022,1107 5.102,1108 18.361,1109 1.518,1110 1.599,1111 1.579,1112 1.515,1113 1.507,1114 2.062,1115 0.148,1116 4.489,1117 1.371,1118 4.092,1119 4.071,1120 4.74,1121 4.077,1122 7.717,1123 3.995,1124 3.935,1125 3.942,1126 4.057,1127 3.854,1128 7.475,1129 3.857,1130 3.815,1131 3.839,1132 3.988,1133 3.733,1134 6.999,1135 3.734,1136 3.596,1137 3.559,1138 3.854,1139 3.546,1140 6.351,1141 3.46,1142 3.279,1143 3.267,1144 3.4,1145 3.023,1146 5.065,1147 3.066,1148 3.01,1149 3.014,1150 3.33,1151 2.849,1152 5.025,1153 2.861,1154 2.878,1155 2.922,1156 3.224,1157 2.793,1158 4.775,1159 2.766,1160 2.821,1161 2.879,1162 3.095,1163 2.688,1164 4.49,1165 2.68,1166 0.157,1167 0.151,1168 0.236,1169 0.14,1170 0.11,1171 4.866,1172 0.152,1173 4.688,1174 0.046,1175 7.316,1176 0.405,1177 4.327,1178 0.1,1179 3.409,1180 4.718,1181 1.437,1182 12.554,1183 3.102,1184 1.959,1185 1.973,1186 1.992,1187 2.041,1188 1.164,1189 2.062,1190 1.894,1191 1.88,1192 1.914,1193 1.981,1194 1.069,1195 1.989,1196 1.774,1197 1.75,1198 1.828,1199 1.879,1200 0.923,1201 1.879,1202 1.397,1203 1.445,1204 1.251,1205 1.535,1206 0.518,1207 1.574,1208 1.121,1209 1.121,1210 1.171,1211 1.429,1212 0.228,1213 1.36,1214 0.916,1215 0.899,1216 1.119,1217 1.121,1218 0.168,1219 1.113,1220 0.868,1221 0.824,1222 1.085,1223 1.017,1224 0.157,1225 1.058,1226 0.784,1227 0.737,1228 0.894,1229 0.971,1230 0.055,1231 0.988,1232 4.143,1233 5.493,1235 7.031,1237 8.652,1239 10.315,1242 17.658,1246 9.284,1248 2.311,1249 5.557,1257 30.447,1258 81.4,1259 148.838,1260 178.122,1261 206.877,1262 210.877,1263 210.877,1264 84.82,1265 7.272,1266 105.59,1267 113.97,1268 18,1269 12.57,1270 4.459,1271 3.7,1272 52.155,1273 107,1274 111,1275 0.233,1276 201.678,1277 353.87,1278 483.854,1279 14026,1280 7.5,1281 21.181,1282 0.73,1283 0.598,1284 22.931,1285 17.35,1286 13.67,1287 0.441,1288 0.336,1289 7.912,1290 11.541,1291 7.559,1292 6.21,1293 15.357,1294 10.425,1295 13.284,1296 0.295,1297 0.189,1298 15.734,1299 8.524,1300 10.323,1301 0.184,1302 0.105,1303 12.578,1304 5.896,1305 8.017,1306 0.116,1307 0.056,1308 9.694,1309 3.86,1310 6.617,1311 0.075,1312 0.033,1313 8.545,1314 2.888,1315 0.36,1316 103.561,1317 0.226,1318 27.165,1319 0.659,1320 152,1321 596.54,1322 251.934,1323 678.201,1324 868.08,1325 618,1326 177,1327 527.096,1328 275.597,1329 594.588,1330 867.51,1331 555,1332 6.1}
{0 CHEMBL1171786,1 1.941,2 10.276,3 5.948,4 35.378,5 112.085,6 11.53,7 0.581,8 3.855,9 3.892,10 3.898,11 3.542,12 5.128,13 3.517,14 4.321,15 4.369,16 4.257,17 3.909,18 5.925,19 3.878,20 4.592,21 4.681,22 4.437,23 4.037,24 6.019,25 3.982,26 4.606,27 4.699,28 4.361,29 3.924,30 6.105,31 3.89,32 4.556,33 4.647,34 4.415,35 3.907,36 6.147,37 3.885,38 4.511,39 4.606,40 4.324,41 3.941,42 6.086,43 3.913,44 4.552,45 4.678,46 4.222,47 3.962,48 5.939,49 3.887,50 4.54,51 4.666,52 4.273,53 3.886,54 5.944,55 3.808,56 0.247,57 0.509,58 2.888,59 3.542,60 36.128,61 2.796,62 0.573,63 0.772,64 3.558,65 5.529,66 79.732,67 5.02,68 0.849,69 0.997,70 21.572,71 8.79,72 92.458,73 7.547,74 1.091,75 1.022,76 24.077,77 9.252,78 121.047,79 6.637,80 1.128,81 0.944,82 24.691,83 8.605,84 142.506,85 6.461,86 0.851,87 0.906,88 13.467,89 7.506,90 110.241,91 6.794,92 0.79,93 0.982,94 13.848,95 8.328,96 84.887,97 8.06,98 0.946,99 0.901,100 25.4,101 9.45,102 128.483,103 8.278,104 51,105 45,106 0.336,107 0.589,108 0.724,109 0.885,110 0.918,111 0.918,112 3.408,113 1.022,114 -4.67,115 -4.59,116 -4.32,119 46.3,138 10,139 1,140 7,151 1,160 1,162 1,163 6,164 1,165 1,166 4,169 3,171 2,172 10,173 1,176 9,177 1,179 1,181 4,183 9,184 2,186 1,187 7,190 1,192 5,194 3,195 1,197 2,198 6,203 4,205 8,206 1,209 9,214 4,215 1,217 8,218 2,221 7,224 1,225 1,226 3,227 10,231 5,232 2,238 10,239 1,241 2,242 4,245 2,247 1,249 10,250 2,252 1409,253 18.679,254 18.679,255 18.679,256 18.679,257 18.679,258 15.915,259 16.785,260 10.739,261 19.33,262 15.256,263 15.256,264 15.256,265 15.256,266 15.256,267 11.115,268 15.986,269 5.073,270 16.543,271 3.417,272 1.95,273 1.17,274 0.244,275 0.049,276 0.049,277 4.081,279 3,283 1,284 622,285 3.873,288 294.124,295 1.546,296 53.543,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 64.5,308 298,309 4.866,310 4.688,311 7.316,312 4.328,313 3.409,314 4.718,315 1.437,316 12.554,317 3.106,318 4.36,319 3.623,320 6.435,321 3.971,322 3.008,323 3.986,324 0.86,325 9.903,326 2.903,327 4.193,328 3.279,329 6.142,330 3.758,331 2.804,332 3.83,334 9.006,335 2.651,336 4.089,337 3.206,338 5.891,339 3.556,340 2.679,341 3.701,343 8.029,344 2.27,345 3.488,346 2.867,347 5.027,348 3.033,349 2.146,350 2.793,352 5.925,353 1.906,354 3.328,355 2.539,356 4.909,357 2.871,358 1.916,359 2.569,361 5.311,362 1.717,363 3.106,364 2.153,365 4.784,366 2.616,367 1.661,368 2.332,370 4.845,371 1.54,372 2.925,373 1.921,374 4.256,375 2.444,376 1.475,377 2.088,379 3.863,380 1.403,381 2.819,382 1.621,383 4.039,384 2.314,385 1.414,386 1.947,388 3.51,389 1.296,390 2.788,391 1.427,392 3.719,393 2.301,394 1.33,395 1.906,397 3.1,398 1.194,399 2.532,400 1.31,401 3.466,402 2.005,403 1,404 1.476,406 2.304,407 0.994,408 1.683,409 0.81,410 3.258,411 1.307,412 0.406,413 0.498,415 1.003,416 0.347,417 1.37,418 0.763,419 2.979,420 0.849,421 0.103,422 0.124,424 0.227,425 0.061,426 1.144,427 0.459,428 2.713,429 0.755,430 -0.181,431 -0.225,433 -0.499,434 -0.167,435 1,436 0.265,437 2.375,438 0.505,439 -0.362,440 -0.444,442 -0.91,443 -0.254,444 14.543,445 0.501,446 1.002,447 0.035,448 41.5,449 1.431,450 23.5,451 0.81,452 18,453 0.621,454 22.477,455 0.775,456 30.457,457 0.743,458 34.58,459 1.192,460 8.21,461 0.283,462 5.459,463 0.188,464 0.239,465 0.057,466 0.309,472 0.664,473 1.078,474 0.594,475 0.947,476 0.741,477 0.707,478 0.618,479 1.141,480 0.681,481 0.894,482 0.518,483 0.886,484 1.09,485 1.173,486 1.015,487 1.079,488 0.899,489 1.028,490 1.331,491 1.103,492 1.01,493 1.057,494 1.266,495 1,496 1.062,497 0.903,498 0.713,499 0.861,500 1.288,501 0.844,502 0.75,503 1.068,504 0.747,505 1.011,506 0.862,507 1.001,508 0.902,509 1.03,510 0.806,511 0.897,512 0.868,513 1.022,514 1.2,515 0.949,516 1.181,517 1.058,518 1.277,519 1.008,520 8,521 0.136,522 4.444,523 2.375,524 2.249,525 1.319,526 0.731,527 0.684,528 0.563,529 0.248,530 9537,531 43651,532 1.965,533 29.3,535 10,538 2,542 1.725,543 1.785,544 3.335,545 0.33,550 79.565,551 1.941,552 3.408,553 4.187,554 5.114,555 5.309,556 5.309,557 2.738,558 4.254,559 4.832,560 3.504,561 1422.72,562 8.444,563 19050.2,568 219.66,569 1.713,570 4.748,571 0.258,572 0.007,573 0.099,574 0.051,575 0.052,576 0.03,577 0.017,578 0.017,579 0.016,580 0.008,581 0.554,582 0.17,583 0.88,584 0.83,585 145.836,586 -0.025,587 -0.02,588 0.045,589 -0.051,590 -0.165,591 0.049,592 0.155,593 -0.119,594 -0.024,595 -0.052,596 0.227,597 -0.114,598 -0.159,599 -0.16,600 -0.07,601 -0.088,602 -0.075,603 -0.095,604 -0.206,605 -0.034,606 -0.104,607 -0.011,608 -0.174,609 -0.068,610 0.038,611 0.132,612 0.122,613 0.121,614 -0.086,615 0.079,616 0.115,617 -0.084,618 0.042,619 -0.135,620 0.08,621 -0.084,622 -0.064,623 -0.031,624 0.012,625 0.045,626 -0.047,627 -0.013,628 -0.177,629 0.007,630 -0.051,631 0.018,632 -0.22,633 0.081,634 4.975,635 5.751,636 0.621,637 24.825,638 1.048,639 1.103,640 3.444,641 11.859,642 0.776,643 3.466,644 3.829,645 4.043,646 4.248,647 4.489,648 4.511,649 4.533,650 4.585,651 4.673,652 4.635,653 6.312,654 0.755,655 472.74,656 3.466,657 5.03,658 5.872,659 6.76,660 7.624,661 8.513,662 9.384,663 10.274,664 11.148,665 12.038,666 2.4,671 1,681 10,686 8,688 18,694 1,701 1,702 3,703 41,705 21,706 3,707 31,709 43,710 19,711 18,712 8,713 10,714 1,717 3,718 3,719 3,729 19,733 3,736 1,737 3,741 1,747 12,748 6,749 2,750 10,751 4,755 1,760 1,761 5,776 3,794 1,796 3,799 1,802 3,805 29,808 1,809 1,811 1,812 1,824 3,825 12.2,827 1,828 3,830 1,832 16.25,833 7.295,834 6.236,835 2.122,836 3.561,837 1.49,838 0.972,839 6.607,840 10.833,841 3.784,842 4.449,843 4.943,844 5.464,845 6.005,846 6.157,847 6.388,848 6.626,849 6.971,850 7.244,851 0.857,852 47,853 11.029,854 5.153,855 8.302,856 19.276,857 15.709,859 2.802,860 81.25,864 117.711,865 129.962,866 16.405,867 117.446,868 123.141,870 5.807,871 124.154,872 358.298,873 16.405,876 100.57,877 129.456,878 39.482,880 117.711,881 117.446,882 117.711,883 140.559,884 123.141,885 123.253,887 117.711,888 123.141,892 124.154,893 139.658,895 117.711,896 139.546,897 247.407,899 5.807,900 117.711,901 29.392,902 94.762,903 16.405,904 240.587,905 117.711,906 139.546,907 247.407,909 0.598,910 0.341,911 0.169,912 0.097,913 21,914 11,915 0.14,916 6,918 1,919 3.832,920 254.45,922 18,923 138.881,927 1,928 21.741,929 8.813,930 5.153,932 139.546,933 14.071,938 0.447,940 59.088,941 504.665,942 43,945 -4.059,946 36.89,950 -1.187,952 42.971,953 45.204,954 0.362,955 0.636,956 0.782,957 0.954,958 0.991,959 0.991,960 5.034,961 1.475,962 5.916,963 4.845,964 4.511,965 5.136,966 1.888,967 6.774,968 4.354,969 6.302,970 1.414,971 7.522,972 3.863,973 4.369,974 5.263,976 7.974,977 4.056,978 7.664,979 1.33,980 9.239,981 3.51,982 6.205,983 7.463,984 2.362,985 10.997,986 5.906,987 9.065,988 1,989 11.021,990 3.1,991 6.825,992 8.354,994 13.004,995 6.376,996 10.497,997 0.406,998 12.847,999 2.304,1000 8.225,1001 10.118,1002 2.965,1003 15.641,1004 7.775,1005 11.953,1006 0.103,1007 14.703,1008 1.003,1009 9.169,1010 11.343,1012 17.957,1013 8.589,1014 13.428,1015 -0.181,1016 16.582,1017 0.227,1018 10.419,1019 12.95,1020 3.635,1021 20.491,1022 9.81,1023 3.409,1024 -0.362,1025 18.479,1026 -0.499,1027 11.502,1028 14.33,1030 22.928,1031 10.78,1032 3.008,1033 12.554,1034 20.39,1035 -0.91,1036 12.705,1037 15.88,1038 4.335,1039 25.442,1040 11.929,1041 2.804,1042 9.903,1043 22.313,1044 4.718,1045 13.85,1046 17.335,1048 27.928,1049 12.972,1050 2.679,1051 9.006,1052 24.245,1053 3.986,1054 15.043,1055 18.867,1056 5.05,1057 30.442,1058 14.093,1059 2.146,1060 8.029,1061 26.186,1062 3.83,1063 16.218,1064 20.362,1066 32.95,1067 15.17,1068 1.916,1069 5.925,1070 28.133,1071 3.701,1072 17.413,1073 21.892,1074 5.77,1075 35.469,1076 16.282,1077 1.661,1078 5.311,1079 30.087,1080 2.793,1081 18.604,1082 23.408,1084 37.987,1085 17.377,1086 9468,1087 20434,1088 19.592,1089 31.829,1090 47.064,1091 49.576,1092 48.959,1093 47.019,1094 46.703,1095 63.932,1096 4.593,1097 139.165,1098 42.774,1099 5.724,1100 6.688,1101 6.998,1102 5.415,1103 5.409,1104 7.718,1105 2.873,1106 20.022,1107 5.106,1108 18.361,1109 1.518,1110 1.599,1111 1.579,1112 1.517,1113 1.507,1114 2.062,1115 0.148,1116 4.489,1117 1.38,1118 4.096,1119 4.075,1120 4.74,1121 4.081,1122 7.717,1123 4.002,1124 3.941,1125 3.945,1126 4.057,1127 3.87,1128 7.475,1129 3.868,1130 3.833,1131 3.852,1132 3.998,1133 3.782,1134 6.999,1135 3.775,1136 3.603,1137 3.565,1138 3.855,1139 3.559,1140 6.351,1141 3.47,1142 3.279,1143 3.267,1144 3.4,1145 3.023,1146 5.035,1147 3.066,1148 3.015,1149 3.019,1150 3.347,1151 2.863,1152 4.982,1153 2.872,1154 2.88,1155 2.925,1156 3.224,1157 2.795,1158 4.774,1159 2.768,1160 2.868,1161 2.921,1162 3.096,1163 2.743,1164 4.49,1165 2.732,1166 0.157,1167 0.151,1168 0.236,1169 0.14,1170 0.11,1171 4.866,1172 0.152,1173 4.688,1174 0.046,1175 7.316,1176 0.405,1177 4.328,1178 0.1,1179 3.409,1180 4.718,1181 1.437,1182 12.554,1183 3.106,1184 1.968,1185 1.98,1186 2.002,1187 2.046,1188 1.173,1189 2.069,1190 1.901,1191 1.891,1192 1.928,1193 1.981,1194 1.08,1195 1.992,1196 1.822,1197 1.803,1198 1.892,1199 1.891,1200 1.021,1201 1.904,1202 1.409,1203 1.457,1204 1.251,1205 1.543,1206 0.542,1207 1.586,1208 1.121,1209 1.121,1210 1.222,1211 1.429,1212 0.228,1213 1.36,1214 0.926,1215 0.909,1216 1.124,1217 1.125,1218 0.183,1219 1.119,1220 0.869,1221 0.824,1222 1.103,1223 1.035,1224 0.167,1225 1.07,1226 0.856,1227 0.806,1228 0.99,1229 1.006,1230 0.145,1231 1.046,1232 4.143,1233 5.493,1235 7.031,1237 8.652,1239 10.315,1242 17.743,1246 9.305,1248 2.373,1249 5.668,1257 30.953,1258 79.565,1259 139.711,1260 171.685,1261 209.66,1262 217.66,1263 217.66,1264 85.458,1265 7.272,1266 92.7,1267 101.08,1268 18,1269 12.57,1270 4.459,1271 3.7,1272 52.155,1273 107,1274 111,1275 0.233,1276 204.476,1277 360.17,1278 490.681,1279 14026,1280 7.3,1281 21.181,1282 0.73,1283 0.603,1284 22.931,1285 17.48,1286 13.67,1287 0.441,1288 0.341,1289 8.068,1290 11.599,1291 7.701,1292 6.328,1293 15.357,1294 10.565,1295 13.284,1296 0.295,1297 0.192,1298 15.734,1299 8.659,1300 10.323,1301 0.184,1302 0.108,1303 12.578,1304 6.062,1305 8.017,1306 0.116,1307 0.058,1308 9.694,1309 3.991,1310 6.617,1311 0.075,1312 0.034,1313 8.545,1314 3.027,1315 0.36,1316 103.107,1317 0.226,1318 27.165,1319 0.659,1320 152,1321 576.895,1322 250.102,1323 660.822,1324 845.6,1325 602,1326 177,1327 510.631,1328 273.246,1329 578.733,1330 843.79,1331 541,1332 6.4}
{0 CHEMBL1688888,1 1.962,2 11.286,3 2.584,4 6.675,5 91.045,6 9.643,7 0.533,8 3.867,9 3.976,10 3.61,11 3.327,12 5.218,13 3.391,14 4.392,15 4.54,16 4.09,17 3.683,18 6.209,19 3.755,20 4.532,21 4.68,22 4.077,23 3.766,24 6.036,25 3.838,26 4.664,27 4.846,28 4.098,29 3.7,30 6.502,31 3.771,32 4.488,33 4.679,34 3.824,35 3.549,36 6.015,37 3.585,38 4.451,39 4.672,40 3.712,41 3.399,42 5.948,43 3.451,44 4.227,45 4.384,46 3.754,47 3.263,48 6.223,49 3.355,50 4.121,51 4.285,52 3.533,53 3.254,54 5.659,55 3.312,56 0.35,57 0.938,58 4.226,59 3.371,60 49.98,61 3.142,62 1.091,63 1.727,64 11.513,65 5.487,66 164.136,67 5.593,68 0.897,69 1.585,70 11.752,71 6.046,72 122.039,73 5.591,74 1.654,75 1.847,76 18.558,77 6.75,78 260.851,79 6.457,80 1.055,81 1.167,82 15.554,83 5.813,84 128.282,85 6.442,86 1.195,87 0.982,88 20.03,89 5.971,90 183.776,91 6.784,92 1.132,93 0.831,94 12.394,95 3.896,96 185.425,97 4.063,98 0.78,99 0.879,100 10.44,101 4.309,102 121.012,103 3.955,104 66,105 45,106 0.343,107 0.74,108 0.832,109 0.875,110 0.875,111 0.875,112 3.374,113 0.784,114 -4.29,115 -4.23,116 -3.99,119 41.5,120 1,124 1,131 1,138 4,139 3,140 2,141 1,142 1,151 1,152 1,154 1,159 1,163 4,165 1,166 6,169 3,170 1,171 3,172 4,175 1,176 5,181 3,183 3,186 2,187 7,190 2,192 4,194 1,198 3,203 3,208 3,209 4,212 3,214 2,217 2,221 2,227 4,230 2,231 3,234 2,236 1,238 4,242 2,249 2,252 1162,253 17.712,254 17.712,255 17.712,256 17.712,257 17.712,258 15.501,259 20.075,260 9.951,261 18.234,262 14.762,263 14.762,264 14.762,265 14.762,266 14.762,267 11.305,268 24.133,269 4.712,270 15.681,271 3.395,272 1.119,273 0.592,274 0.348,275 0.348,276 0.348,277 4.044,282 1,283 1,284 665,285 4.243,287 74.223,288 183.518,291 128.573,295 1.786,296 63.694,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 66.5,308 316,309 4.641,310 4.474,311 7.24,312 4.251,313 3.377,314 4.615,315 3.825,316 12.181,317 3.085,318 4.547,319 3.691,320 6.705,321 4.155,322 3.188,323 4.049,324 1.671,325 10.824,326 2.985,327 4.086,328 3.386,329 6.023,330 3.751,331 2.763,332 3.516,333 0.986,334 8.59,335 2.721,336 3.856,337 3.198,338 5.582,339 3.504,340 2.561,341 3.144,342 0.139,343 7.557,344 2.393,345 3.557,346 2.975,347 5.345,348 3.165,349 2.238,350 2.784,352 6.494,353 2.041,354 3.417,355 2.389,356 5.282,357 2.971,358 2.022,359 2.763,361 6.164,362 1.913,363 3.282,364 2.193,365 4.819,366 2.86,367 1.907,368 2.509,370 5.39,371 1.772,372 3.084,373 2.083,374 4.638,375 2.609,376 1.629,377 2.262,379 4.644,380 1.584,381 2.663,382 1.498,383 4.037,384 2.143,385 1.154,386 1.652,388 3.151,389 1.132,390 2.583,391 1.429,392 3.956,393 2.115,394 1.139,395 1.616,397 3.032,398 1.092,399 2.354,400 1.044,401 3.586,402 1.876,403 0.924,404 1.283,406 2.322,407 0.876,408 1.459,409 0.89,410 2.942,411 1.113,412 0.194,413 0.231,415 0.469,416 0.174,417 1,418 0.749,419 2.85,420 0.613,421 -0.337,422 -0.398,424 -0.898,425 -0.312,426 0.97,427 0.51,428 2.491,429 0.495,430 -0.488,431 -0.625,433 -1.222,434 -0.465,435 0.792,436 0.51,437 2.369,438 0.399,439 -0.549,440 -0.658,442 -1.304,443 -0.515,444 12.31,445 0.44,446 1.114,447 0.04,448 36.25,449 1.295,450 17.5,451 0.625,452 18.75,453 0.67,454 21.013,455 0.75,456 31.49,457 0.768,458 32.666,459 1.167,460 7.682,461 0.274,462 5.376,463 0.192,464 0.228,465 0.041,466 0.398,469 3,470 1,472 0.617,473 1.021,474 0.565,475 1.06,476 0.598,477 0.882,478 0.466,479 0.783,480 0.519,481 0.847,482 0.44,483 0.77,484 0.914,485 1.101,486 0.916,487 1.164,488 0.833,489 1.078,490 0.926,491 0.926,492 1.075,493 1.026,494 0.85,495 1.09,496 0.853,497 0.83,498 1.039,499 1.153,500 0.901,501 1.208,502 1.017,503 0.771,504 0.971,505 0.839,506 1.107,507 0.861,508 0.707,509 0.599,510 0.83,511 0.758,512 0.801,513 0.84,514 1.092,515 0.875,516 1.113,517 0.964,518 1.197,519 1.029,520 8.5,521 0.189,522 4.222,523 3.264,524 1.599,525 1.139,526 0.782,527 0.349,528 0.346,529 0.262,530 9727,531 42014,532 1.944,533 31.7,535 7,537 1,538 2,539 3,542 1.707,543 1.741,544 3.446,545 0.388,546 1,547 1,550 80.457,551 1.962,552 4.239,553 4.766,554 5.01,555 5.01,556 5.01,557 2.88,558 4.379,559 4.785,560 3.666,561 1385.66,562 8.296,563 18757.2,565 1,567 1,568 219.66,569 1.745,570 4.681,571 0.283,572 0.008,573 0.094,574 0.073,575 0.039,576 0.036,577 0.027,578 0.012,579 0.014,580 0.01,581 0.596,582 0.33,583 1,584 0.86,585 141.931,586 -0.058,587 -0.102,588 0.005,589 -0.047,590 -0.085,591 0.001,592 0.322,593 0.2,594 0.256,595 0.138,596 0.311,597 0.142,598 -0.182,599 -0.226,600 -0.152,601 -0.21,602 -0.115,603 -0.171,604 0.068,605 0.048,606 -0.11,607 -0.083,608 0.145,609 -0.157,610 -0.032,611 -0.037,612 -0.078,613 -0.209,614 -0.077,615 -0.198,616 -0.081,617 -0.014,618 0.156,619 0.099,620 -0.138,621 0.22,622 0.292,623 0.208,624 0.132,625 0.149,626 0.289,627 0.068,628 -0.178,629 -0.004,630 -0.2,631 0.004,632 -0.241,633 -0.073,634 6.17,635 5.28,636 0.536,637 24.607,638 1.061,639 1.165,640 3.059,641 9.357,642 0.665,643 3.434,644 3.829,645 4.043,646 4.29,647 4.431,648 4.443,649 4.564,650 4.511,651 4.477,652 4.369,653 6.965,654 0.689,655 395.35,656 3.434,657 5.017,658 5.866,659 6.772,660 7.639,661 8.541,662 9.415,663 10.315,664 11.194,665 12.092,666 12.2,673 2,674 1,676 2,680 2,681 5,682 2,686 5,687 1,688 16,702 1,703 41,705 18,706 1,707 30,709 43,710 17,711 12,712 3,713 3,714 1,717 3,718 4,720 1,721 2,726 1,729 14,730 3,733 2,737 2,741 2,744 1,745 4,747 13,748 10,749 2,750 11,755 5,758 1,760 0.667,761 2,769 1,770 1,775 1,776 2,779 1,796 2,801 2,803 4,805 28,811 2,816 1,824 4,825 4.9,828 2,832 16.083,833 8.171,834 5.889,835 2.19,836 2.997,837 1.413,838 0.987,839 5.095,840 10.257,841 3.714,842 4.379,843 4.953,844 5.551,845 6.035,846 6.303,847 6.68,848 6.877,849 6.839,850 6.73,851 1,852 45,853 11.209,854 5.718,855 8.688,856 18.112,857 14.501,859 3.188,860 89.25,863 1,864 129.482,865 106.208,866 71.247,868 50.29,869 59.84,871 106.208,872 179.772,873 131.087,874 17.222,875 36.022,876 37.905,877 101.929,878 79.283,879 19.236,880 117.711,881 7.76,882 129.482,883 177.455,884 110.13,887 144.442,888 95.17,891 67.902,892 76.104,893 33.449,895 189.323,896 121.536,897 106.208,900 137.242,901 34.274,902 65.951,903 36.022,904 143.579,905 129.482,906 181.377,907 106.208,909 0.609,910 0.344,911 0.179,912 0.091,913 22,914 12,915 0.047,916 2,917 1,918 1.133,919 3.819,920 237.386,921 0.133,922 15,923 129.851,928 19.778,929 7.212,930 4.153,931 1.161,932 179.6,933 4.69,934 8.267,938 -2.626,939 1.534,940 36.022,941 417.067,942 40,946 24.13,950 -1.888,952 43.516,953 47.76,954 0.366,955 0.791,956 0.89,957 0.935,958 0.935,959 0.935,960 4.99,961 1.629,962 5.932,963 5.39,964 4.511,965 5.066,966 3.316,967 6.81,968 4.399,969 6.261,970 1.154,971 7.551,972 4.644,973 4.443,974 5.139,975 3.949,976 7.997,977 4.203,978 7.615,979 1.139,980 9.275,981 3.151,982 6.229,983 7.35,984 5.475,985 11.025,986 5.99,987 9.001,988 0.924,989 11.058,990 3.032,991 6.889,992 8.17,993 6.701,994 12.992,995 6.518,996 10.414,997 0.194,998 12.881,999 2.322,1000 8.264,1001 9.952,1002 8.067,1003 15.628,1004 7.873,1005 11.848,1006 -0.337,1007 14.732,1008 0.469,1009 9.229,1010 11.128,1011 9.391,1012 17.906,1013 8.72,1014 13.298,1015 -0.488,1016 16.604,1017 -0.898,1018 10.47,1019 12.742,1020 10.736,1021 20.424,1022 9.913,1023 3.377,1024 -0.549,1025 18.494,1026 -1.222,1027 11.565,1028 14.092,1029 12.075,1030 22.823,1031 10.902,1032 3.188,1033 12.181,1034 20.397,1035 -1.304,1036 12.764,1037 15.639,1038 13.417,1039 25.309,1040 12.034,1041 2.763,1042 10.824,1043 22.311,1044 4.615,1045 13.913,1046 17.074,1047 14.758,1048 27.755,1049 13.086,1050 2.561,1051 8.59,1052 24.235,1053 4.049,1054 15.103,1055 18.597,1056 16.1,1057 30.234,1058 14.197,1059 2.238,1060 7.557,1061 26.166,1062 3.516,1063 16.277,1064 20.073,1065 17.441,1066 32.702,1067 15.278,1068 2.022,1069 6.494,1070 28.104,1071 3.144,1072 17.467,1073 21.589,1074 18.783,1075 35.182,1076 16.383,1077 1.907,1078 6.164,1079 30.047,1080 2.784,1081 18.653,1082 23.086,1083 20.124,1084 37.659,1085 17.477,1086 9571,1087 20141,1088 18.611,1089 27.256,1090 47.057,1091 47.839,1092 48.427,1093 46.384,1094 46.197,1095 60.847,1096 13.242,1097 141.634,1098 43.534,1099 5.541,1100 6.474,1101 6.55,1102 5.31,1103 5.377,1104 7.615,1105 5.335,1106 19.593,1107 5.085,1108 19.464,1109 1.569,1110 1.595,1111 1.614,1112 1.546,1113 1.54,1114 2.028,1115 0.441,1116 4.721,1117 1.451,1118 4.113,1119 4.159,1120 4.089,1121 3.973,1122 8.513,1123 3.996,1124 3.954,1125 3.982,1126 3.929,1127 3.854,1128 8.2,1129 3.864,1130 3.637,1131 3.677,1132 3.606,1133 3.404,1134 7.999,1135 3.443,1136 3.411,1137 3.463,1138 3.39,1139 3.134,1140 7.999,1141 3.187,1142 3.274,1143 3.33,1144 3.251,1145 3.02,1146 7.447,1147 3.029,1148 3.232,1149 3.323,1150 3.039,1151 2.976,1152 7.412,1153 3.009,1154 3.009,1155 3.065,1156 2.934,1157 2.759,1158 5.077,1159 2.782,1160 2.796,1161 2.851,1162 2.735,1163 2.58,1164 4.62,1165 2.592,1166 0.155,1167 0.149,1168 0.241,1169 0.142,1170 0.113,1171 4.641,1172 0.154,1173 4.474,1174 0.128,1175 7.24,1176 0.406,1177 4.251,1178 0.103,1179 3.377,1180 4.615,1181 3.825,1182 12.181,1183 3.085,1184 1.909,1185 1.884,1186 1.978,1187 2.04,1188 1.105,1189 2.019,1190 1.89,1191 1.867,1192 1.964,1193 2.006,1194 1.084,1195 1.991,1196 1.511,1197 1.428,1198 1.737,1199 1.801,1200 0.775,1201 1.779,1202 1.408,1203 1.367,1204 1.6,1205 1.699,1206 0.656,1207 1.648,1208 1.217,1209 1.16,1210 1.406,1211 1.489,1212 0.333,1213 1.483,1214 1.077,1215 1.032,1216 1.205,1217 1.404,1218 0.261,1219 1.33,1220 0.909,1221 0.85,1222 1.094,1223 1.198,1224 0.169,1225 1.164,1226 0.73,1227 0.674,1228 1.006,1229 0.979,1231 0.998,1232 4.111,1233 5.485,1234 2.398,1235 7.029,1236 4.844,1237 8.652,1238 7.002,1239 10.319,1241 3.415,1243 51.45,1248 4.038,1253 -4.92,1257 28.231,1258 80.457,1259 173.785,1260 195.395,1261 205.395,1262 205.395,1263 205.395,1264 86.392,1265 7.26,1266 88.91,1267 88.91,1268 17,1269 12.619,1270 4.248,1271 3.459,1272 49.969,1273 120,1274 95,1275 0.205,1276 172.07,1277 305.98,1278 411.611,1279 13913,1280 9.8,1281 20.637,1282 0.737,1283 0.52,1284 17.267,1285 14.557,1286 13.058,1287 0.435,1288 0.261,1289 7.623,1290 12.153,1291 7.481,1292 6.167,1293 11.436,1294 7.844,1295 13.274,1296 0.295,1297 0.131,1298 10.783,1299 5.905,1300 9.932,1301 0.177,1302 0.069,1303 8.561,1304 3.882,1305 8.399,1306 0.117,1307 0.036,1308 7.343,1309 2.59,1310 6.131,1311 0.074,1312 0.019,1313 5.28,1314 1.594,1315 0.327,1316 84.954,1317 0.232,1318 26.883,1319 0.546,1320 150,1321 773.517,1322 185.462,1323 633.588,1324 811.93,1325 582,1326 176,1327 564.392,1328 204.419,1329 542.284,1330 810.61,1331 506,1332 5}
{0 CHEMBL1688889,1 1.575,2 12.647,3 2.986,4 8.914,5 133.245,6 6.98,7 0.444,8 4.283,9 4.424,10 3.784,11 3.71,12 5.373,13 3.698,14 4.828,15 5.048,16 4.143,17 4.067,18 5.894,19 4.046,20 5.008,21 5.204,22 4.196,23 4.225,24 6.094,25 4.182,26 5.159,27 5.41,28 4.237,29 4.281,30 6.268,31 4.205,32 5.12,33 5.348,34 4.216,35 4.276,36 6.188,37 4.213,38 5.197,39 5.433,40 4.258,41 4.285,42 6.361,43 4.214,44 5.19,45 5.444,46 4.128,47 4.242,48 6.254,49 4.165,50 5.125,51 5.362,52 4.126,53 4.179,54 6.295,55 4.104,56 0.059,57 1.008,58 15.121,59 5.338,60 10.017,61 8.016,62 0.501,63 1.494,64 28.662,65 8.09,66 38.144,67 12.82,68 0.469,69 1.736,70 34.142,71 10.016,72 49.111,73 15.235,74 0.762,75 1.866,76 40.923,77 11.816,78 91.651,79 18.757,80 0.453,81 1.851,82 38.621,83 11.206,84 51.9,85 17.543,86 0.897,87 1.894,88 42.752,89 11.918,90 95.983,91 18.676,92 0.746,93 1.825,94 42.983,95 10.969,96 81.797,97 17.704,98 0.741,99 1.697,100 39.966,101 11.122,102 98.755,103 17.25,104 92,105 51,106 0.25,107 0.575,108 0.752,109 0.836,110 0.836,111 0.836,112 3.56,113 0.928,114 -3.98,115 -3.93,116 -3.73,119 35.8,120 3,124 4,125 2,127 1,138 5,139 2,140 2,142 1,143 1,151 1,152 1,154 1,159 1,163 4,165 2,166 11,169 3,170 1,171 3,172 6,175 2,176 7,181 2,183 2,186 4,187 9,190 4,192 5,194 5,197 2,198 3,203 2,205 2,208 5,209 7,212 5,214 5,217 4,220 2,221 2,224 1,227 3,230 4,231 9,234 2,236 3,238 4,241 1,242 4,245 1,249 2,252 2324,253 21.878,254 21.878,255 21.878,256 21.878,257 21.878,258 19.705,259 32.802,260 12.794,261 22.473,262 17.76,263 17.76,264 17.76,265 17.76,266 17.76,267 14.295,268 45.24,269 6.121,270 18.68,271 4.491,272 2.439,273 1.327,274 0.795,275 0.795,276 0.795,277 4.234,283 1,284 891,285 4.899,287 93.494,288 222.42,291 160.672,295 1.806,296 34.676,299 1,300 0.67,301 1,302 1,303 1,304 1,305 1,306 0.95,307 74.5,308 430,309 4.692,310 3.713,311 6.814,312 4.232,313 3.267,314 4.657,315 1.671,316 11.245,317 3.154,318 4.243,319 3.434,320 6.487,321 3.881,322 2.914,323 3.758,324 0.986,325 10.005,326 2.819,327 4.1,328 3.212,329 5.697,330 3.707,331 2.752,332 3.685,333 0.86,334 7.989,335 2.627,336 3.742,337 3.024,338 5.616,339 3.445,340 2.498,341 2.993,342 0.8,343 7.333,344 2.351,345 3.548,346 2.954,347 5.33,348 3.258,349 2.319,350 2.848,351 0.8,352 6.63,353 2.167,354 3.377,355 2.548,356 5.214,357 3.091,358 2.168,359 2.596,360 0.139,361 6.09,362 1.996,363 3.281,364 2.478,365 4.819,366 3.011,367 2.051,368 2.379,370 5.422,371 1.952,372 3.165,373 2.191,374 4.657,375 2.89,376 1.934,377 2.261,379 5.035,380 1.838,381 3.022,382 1.975,383 4.636,384 2.682,385 1.721,386 2.144,388 4.685,389 1.647,390 2.94,391 1.969,392 4.358,393 2.581,394 1.606,395 1.995,397 4.343,398 1.555,399 2.646,400 1.518,401 4.144,402 2.199,403 1.222,404 1.707,406 3.319,407 1.189,408 2.571,409 1.242,410 3.809,411 2.156,412 1.167,413 1.528,415 2.659,416 1.148,417 2.355,418 1.182,419 3.483,420 1.928,421 0.956,422 1.296,424 2.543,425 0.924,426 1.438,427 0.843,428 2.984,429 1.333,430 0.382,431 0.396,433 0.836,434 0.362,435 1.2,436 0.583,437 2.799,438 0.87,439 -0.088,440 -0.105,442 -0.236,443 -0.084,444 15.8,445 0.465,446 1.127,447 0.033,448 41.25,449 1.213,450 18.5,451 0.544,452 22.75,453 0.669,454 33.118,455 0.974,456 38.8,457 0.579,458 37.214,459 1.095,460 8.37,461 0.246,462 7.674,463 0.226,464 0.264,466 0.392,472 0.792,473 1.681,474 0.849,475 1.349,476 0.633,477 1.136,478 0.893,479 0.963,480 0.763,481 0.792,482 0.501,483 0.744,484 1.403,485 1.26,486 1.124,487 1.121,488 1.108,489 1.085,490 0.735,491 0.993,492 0.844,493 0.946,494 0.724,495 0.911,496 1.12,497 1.203,498 1.019,499 1.121,500 1.172,501 1.056,502 0.985,503 1.083,504 0.998,505 1.067,506 1.353,507 1.042,508 1.358,509 0.917,510 1.116,511 0.907,512 1.574,513 0.949,514 1.181,515 1.129,516 1.032,517 1.099,518 1.668,519 1.057,520 9,521 0.201,522 3.778,523 3.264,524 2.062,525 1.667,526 1.115,527 0.737,528 0.494,529 0.391,530 15365,531 38474,532 1.944,533 49.3,535 22,538 2,539 3,540 6,542 1.764,543 1.759,544 3.6,545 0.235,550 105.517,551 1.575,552 3.627,553 4.739,554 5.271,555 5.271,556 5.271,557 3.025,558 4.911,559 5.056,560 3.806,561 2134.9,562 8.891,563 33002.8,568 406.428,569 1.568,570 4.978,571 0.25,572 0.006,573 0.074,574 0.063,575 0.039,576 0.032,577 0.021,578 0.016,579 0.011,580 0.01,581 0.522,582 0.33,583 0.88,584 1.437,585 182.382,586 0.001,587 -0.342,588 0.062,589 -0.176,590 -0.069,591 -0.068,592 0.123,593 0.187,594 0.222,595 0.207,596 0.171,597 0.231,598 -0.201,599 -0.122,600 -0.134,601 -0.083,602 -0.122,603 -0.099,604 0.215,605 0.037,606 0.138,607 0.04,608 0.248,609 0.073,610 -0.095,611 -0.123,612 -0.039,613 -0.11,614 -0.06,615 -0.068,616 0.181,617 -0.049,618 0.007,619 -0.093,620 0.092,621 -0.079,622 -0.169,623 0.095,624 -0.098,625 0.022,626 -0.153,627 -0.012,628 0.059,629 -0.136,630 -0.018,631 -0.124,632 0.007,633 -0.093,634 2.309,635 6.182,636 0.441,637 38.256,638 1.003,639 1.142,640 2.748,641 7.552,642 0.631,643 3.611,644 3.951,645 4.159,646 4.443,647 4.644,648 4.762,649 4.89,650 4.97,651 4.913,652 4.883,653 7.596,654 0.599,655 467.64,656 3.611,657 5.165,658 5.999,659 6.887,660 7.748,661 8.643,662 9.519,663 10.418,664 11.303,665 12.206,666 10.4,669 1,672 1,673 2,674 1,676 2,680 2,681 5,682 2,686 5,687 1,688 16,699 1,701 1,703 67,705 18,706 1,707 36,709 69,710 24,711 12,712 2,713 4,714 1,717 3,718 4,720 1,721 3,727 1,729 14,730 10,733 2,737 2,741 2,747 33,748 9,749 2,750 10,755 7,758 1,760 0.667,761 3,769 1,770 1,775 1,776 2,779 1,792 1,796 2,801 7,805 34,810 2,811 2,812 1,814 1,815 2,825 4.5,828 2,830 1,832 19.333,833 14.25,834 7.417,835 3.859,836 3.105,837 1.405,838 0.941,839 8.39,840 10.766,841 3.85,842 4.451,843 5.001,844 5.624,845 6.14,846 6.499,847 6.894,848 7.201,849 7.215,850 7.212,851 1,852 52,853 12.603,854 5.192,855 7.789,856 23.787,857 18.548,859 2.289,860 77.833,864 364.904,865 141.193,866 77.495,868 61.29,871 141.193,872 426.194,873 77.495,874 60.061,875 40.233,876 47.381,877 90.158,878 35.541,879 6.604,880 364.904,882 364.904,883 218.688,884 61.29,887 294.278,888 131.916,891 76.081,892 109.158,893 33.449,895 364.904,896 138.785,897 141.193,900 364.904,901 33.751,902 115.468,903 36.022,904 94.738,905 364.904,906 138.785,907 141.193,909 0.587,910 0.319,911 0.174,912 0.098,913 22,914 13,915 0.116,916 8,917 1,918 1.133,919 4.278,920 308.972,921 0.133,922 15,923 168.974,928 25.786,929 11.063,930 6.62,931 1.434,932 137.008,933 8.754,934 9.139,938 2.689,939 1.689,940 36.022,941 644.882,942 46,946 25.801,950 -1.187,952 67.181,953 76.514,954 0.26,955 0.598,956 0.781,957 0.869,958 0.869,959 0.869,960 5.106,961 1.934,962 6.014,963 5.422,964 4.635,965 5.139,966 2.409,967 6.83,968 4.541,969 6.328,970 1.721,971 7.582,972 5.035,973 4.369,974 5.103,975 1.404,976 7.743,977 4.235,978 7.643,979 1.606,980 9.247,981 4.685,982 6.236,983 7.353,984 2.751,985 10.842,986 6.055,987 8.992,988 1.222,989 10.966,990 4.343,991 6.711,992 8.118,993 2.382,994 12.584,995 6.495,996 10.372,997 1.167,998 12.722,999 3.319,1000 8.122,1001 9.924,1002 3.428,1003 15.229,1004 7.867,1005 11.777,1006 0.956,1007 14.505,1008 2.659,1009 8.947,1010 11.083,1011 3.447,1012 17.346,1013 8.663,1014 13.202,1015 0.382,1016 16.309,1017 2.543,1018 10.184,1019 12.713,1020 4.284,1021 19.827,1022 9.865,1023 3.267,1024 -0.088,1025 18.131,1026 0.836,1027 11.182,1028 14.066,1029 4.522,1030 22.107,1031 10.833,1032 2.914,1033 11.245,1034 19.967,1035 -0.236,1036 12.355,1037 15.626,1038 5.227,1039 24.53,1040 11.973,1041 2.752,1042 10.005,1043 21.815,1044 4.657,1045 13.435,1046 17.072,1047 5.585,1048 26.88,1049 13.023,1050 2.498,1051 7.989,1052 23.673,1053 3.758,1054 14.59,1055 18.608,1056 6.211,1057 29.287,1058 14.145,1059 2.319,1060 7.333,1061 25.539,1062 3.685,1063 15.711,1064 20.099,1065 6.634,1066 31.667,1067 15.235,1068 2.168,1069 6.63,1070 27.412,1071 2.993,1072 16.864,1073 21.629,1074 7.215,1075 34.07,1076 16.355,1077 2.051,1078 6.09,1079 29.291,1080 2.848,1081 18.007,1082 23.141,1083 7.675,1084 36.464,1085 17.465,1086 15332,1087 24511,1088 22.6,1089 42.302,1090 54.465,1091 56.186,1092 56.761,1093 53.955,1094 53.918,1095 68.486,1096 10.512,1097 156.268,1098 51.459,1099 5.608,1100 5.713,1101 6.365,1102 5.297,1103 5.267,1104 7.657,1105 2.967,1106 18.338,1107 5.154,1108 23.637,1109 1.513,1110 1.561,1111 1.577,1112 1.499,1113 1.498,1114 1.902,1115 0.292,1116 4.341,1117 1.429,1118 4.126,1119 4.172,1120 4.104,1121 3.983,1122 7.447,1123 4.007,1124 3.926,1125 3.954,1126 3.87,1127 3.83,1128 7.412,1129 3.834,1130 3.729,1131 3.809,1132 3.641,1133 3.513,1134 5.07,1135 3.53,1136 3.63,1137 3.683,1138 3.538,1139 3.418,1140 4.86,1141 3.423,1142 3.571,1143 3.635,1144 3.419,1145 3.376,1146 4.484,1147 3.389,1148 3.444,1149 3.522,1150 3.336,1151 3.164,1152 4.42,1153 3.2,1154 3.282,1155 3.358,1156 3.15,1157 3.042,1158 4.309,1159 3.058,1160 3.214,1161 3.304,1162 3.012,1163 3.004,1164 4.026,1165 2.991,1166 0.13,1167 0.103,1168 0.189,1169 0.118,1170 0.091,1171 4.692,1172 0.129,1173 3.713,1174 0.046,1175 6.814,1176 0.312,1177 4.232,1178 0.088,1179 3.267,1180 4.657,1181 1.671,1182 11.245,1183 3.154,1184 1.92,1185 1.893,1186 1.999,1187 2.064,1188 1.189,1189 2.042,1190 1.883,1191 1.859,1192 1.986,1193 2.004,1194 1.095,1195 2,1196 1.645,1197 1.564,1198 1.884,1199 1.885,1200 1.08,1201 1.89,1202 1.582,1203 1.518,1204 1.866,1205 1.806,1206 1.014,1207 1.818,1208 1.511,1209 1.427,1210 1.738,1211 1.788,1212 0.796,1213 1.779,1214 1.416,1215 1.363,1216 1.687,1217 1.675,1218 0.766,1219 1.672,1220 1.347,1221 1.261,1222 1.567,1223 1.648,1224 0.643,1225 1.63,1226 1.164,1227 1.095,1228 1.46,1229 1.419,1230 0.568,1231 1.438,1232 4.29,1233 5.624,1234 2.398,1235 7.125,1236 4.844,1237 8.714,1238 7.002,1239 10.357,1241 13.359,1247 1.425,1248 5.112,1249 5.659,1251 0.006,1252 3.953,1257 40.143,1258 105.517,1259 242.997,1260 317.534,1261 353.144,1262 353.144,1263 353.144,1264 81.536,1265 7.661,1266 104.62,1267 104.62,1268 17,1269 12.73,1270 4.248,1271 3.459,1272 67.15,1273 150,1274 168,1275 0.211,1276 252.009,1277 433.59,1278 606.661,1279 22941,1281 24.991,1282 0.735,1283 0.613,1284 24.991,1285 20.839,1286 16.045,1287 0.446,1288 0.309,1289 10.918,1290 15.187,1291 10.382,1292 8.797,1293 16.045,1294 11.141,1295 15.348,1296 0.301,1297 0.172,1298 15.348,1299 8.767,1300 11.261,1301 0.179,1302 0.082,1303 11.261,1304 5.158,1305 9.663,1306 0.115,1307 0.042,1308 9.663,1309 3.499,1310 7.452,1311 0.072,1312 0.023,1313 7.452,1314 2.328,1315 0.332,1316 101.972,1317 0.21,1318 31.421,1319 0.576,1320 174,1321 536.098,1322 196.707,1323 512.967,1324 697.27,1325 478,1326 201,1327 518.648,1328 223.797,1329 524.619,1330 759.81,1331 487,1332 5}
{0 CHEMBL191915,1 1.503,2 12.5,3 4.588,4 21.053,5 107.713,6 6.854,7 0.444,8 4.057,9 4.198,10 3.543,11 3.546,12 5.041,13 3.494,14 4.615,15 4.834,16 3.845,17 3.882,18 5.539,19 3.798,20 4.857,21 5.117,22 3.854,23 4.008,24 5.708,25 3.886,26 4.876,27 5.139,28 3.782,29 4.019,30 5.674,31 3.858,32 4.952,33 5.255,34 3.657,35 4.003,36 5.684,37 3.82,38 4.87,39 5.173,40 3.656,41 3.935,42 5.61,43 3.773,44 4.736,45 5.004,46 3.706,47 3.862,48 5.611,49 3.726,50 4.753,51 5.046,52 3.547,53 3.812,54 5.53,55 3.648,56 0.041,57 0.775,58 12.881,59 4.956,60 8.383,61 7.245,62 0.239,63 1.169,64 24.394,65 7.762,66 25.464,67 11.638,68 0.46,69 1.339,70 33.451,71 9.38,72 37.029,73 14.407,74 0.339,75 1.349,76 33.234,77 10.886,78 32.749,79 16.034,80 0.389,81 1.39,82 35.133,83 11.083,84 36.597,85 16.871,86 0.314,87 1.296,88 33.342,89 9.873,90 32.388,91 15.271,92 0.35,93 1.204,94 28.614,95 8.228,96 36.405,97 12.997,98 0.321,99 1.128,100 29.115,101 8.626,102 32.145,103 13.192,104 27,105 34,106 0.252,107 0.547,108 0.758,109 0.848,110 0.848,111 0.848,112 3.302,113 1.075,114 -5.02,115 -4.92,116 -4.61,119 36.4,120 3,121 2,125 4,127 1,138 5,140 2,141 1,143 1,145 1,163 3,165 1,166 7,169 1,171 3,172 6,175 2,176 2,181 1,183 3,187 4,190 1,194 6,198 7,201 2,205 3,209 4,220 1,221 8,226 4,227 4,231 1,236 1,238 1,241 1,242 2,247 2,249 8,252 1164,253 17.602,254 17.602,255 17.602,256 17.602,257 17.602,258 16.102,259 26.73,260 10.736,261 18.243,262 13.22,263 13.22,264 13.22,265 13.22,266 13.22,267 11.016,268 39.287,269 4.985,270 14.235,271 4.279,272 2.522,273 1.266,274 0.732,275 0.732,276 0.732,277 3.97,279 1,282 1,283 1,284 661,285 4,288 198.261,295 2.269,296 17.745,298 1,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 55.333,308 325,309 4.098,310 3.09,311 5.656,312 3.681,313 2.751,314 3.689,315 1.151,316 7.915,317 2.556,318 4.026,319 2.913,320 5.5,321 3.57,322 2.64,323 3.633,324 0.8,325 7.434,326 2.435,327 3.514,328 2.786,329 5.276,330 3.387,331 2.459,332 2.7,333 0.4,334 6.665,335 2.286,336 3.432,337 2.689,338 5.165,339 3.264,340 2.326,341 2.529,343 6.461,344 2.172,345 3.289,346 2.434,347 4.759,348 2.912,349 2.007,350 2.449,352 5.344,353 1.827,354 3.096,355 2.034,356 4.676,357 2.772,358 1.848,359 2.167,361 5.098,362 1.618,363 2.684,364 1.404,365 3.518,366 2.2,367 1.248,368 1.765,370 2.704,371 1.177,372 2.657,373 1.268,374 3.482,375 2.165,376 1.192,377 1.73,379 2.601,380 1.142,381 2.138,382 1.167,383 3.362,384 2.066,385 1.101,386 1.133,388 2.322,389 1.059,390 1.824,391 0.96,392 3.159,393 1.591,394 0.618,395 0.717,397 1.454,398 0.6,399 1.618,400 0.744,401 2.761,402 1.494,403 0.608,404 0.618,406 0.791,407 0.533,408 1.21,409 0.294,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 1,418 0.21,419 2.389,420 0.74,421 -0.204,422 -0.229,424 -0.446,425 -0.192,426 0.943,427 -0.073,428 2.208,429 0.54,430 -0.367,431 -0.466,433 -0.838,434 -0.252,435 0.812,436 -0.098,437 2,438 0.381,439 -0.484,440 -0.584,442 -1.083,443 -0.406,444 12.648,445 0.486,446 0.485,447 0.019,448 29.5,449 1.135,450 13,451 0.5,452 16.5,453 0.635,454 24.624,455 0.947,456 29.952,457 0.545,458 19.101,459 0.735,460 5.567,461 0.214,462 7.034,463 0.271,464 0.175,466 0.229,472 0.847,473 1.622,474 0.766,475 1.242,476 0.817,477 1.138,478 1.116,479 1.233,480 0.812,481 1.008,482 0.727,483 0.994,484 1.267,485 0.896,486 1.001,487 0.854,488 1.032,489 0.909,490 0.744,491 1.137,492 0.857,493 1.131,494 0.693,495 1.1,496 0.741,497 0.91,498 0.744,499 0.871,500 0.774,501 0.9,502 0.883,503 0.932,504 0.792,505 0.813,506 0.873,507 0.815,508 0.863,509 1.098,510 0.808,511 1.003,512 0.822,513 1.012,514 1.182,515 0.897,516 0.796,517 0.784,518 1.054,519 0.855,520 5.5,521 0.128,522 1.778,523 1.375,524 0.884,525 0.521,526 0.388,527 0.248,528 0.206,529 0.146,530 8519,531 20119,532 1.974,533 52.7,535 14,537 1,538 1,540 13,542 1.686,543 1.857,544 3.624,545 -0.332,550 82.655,551 1.503,552 3.259,553 4.515,554 5.049,555 5.049,556 5.049,557 3.075,558 4.239,559 4.669,560 3.829,561 1244.35,562 8.065,563 16960.7,565 1,568 317.975,569 1.335,570 4.634,571 0.204,572 0.007,573 0.052,574 0.042,575 0.03,576 0.019,577 0.014,578 0.009,579 0.009,580 0.007,581 0.393,582 0.33,583 0.88,584 1.966,585 131.682,586 0.004,587 -0.299,588 0.033,589 -0.128,590 -0.025,591 -0.053,592 0.007,593 -0.083,594 0.048,595 -0.025,596 0.191,597 -0.01,598 -0.055,599 0.156,600 -0.037,601 0.082,602 0.009,603 0.036,604 0.12,605 -0.138,606 0.005,607 -0.143,608 0.139,609 -0.106,610 0.067,611 0.029,612 0.059,613 0.051,614 0.048,615 0.054,616 -0.029,617 0.011,618 0.084,619 0.112,620 0.02,621 0.137,622 0.078,623 -0.048,624 0.03,625 -0.074,626 0.142,627 -0.059,628 -0.121,629 0.054,630 0.051,631 0.125,632 -0.108,633 0.081,634 1.188,635 2.206,636 0.462,637 29.751,638 0.992,639 1.137,640 3.787,641 14.345,642 0.641,643 3.332,644 3.555,645 3.689,646 3.829,647 3.932,648 3.892,649 3.912,650 3.951,651 4.043,652 4.025,653 7.588,654 0.59,655 376.98,656 3.332,657 4.812,658 5.595,659 6.412,660 7.206,661 8.027,662 8.826,663 9.65,664 10.452,665 11.278,666 7.3,669 1,671 1,676 2,681 6,682 2,686 4,688 12,697 1,701 1,702 1,703 55,705 12,706 1,707 27,709 56,710 20,711 10,712 2,713 4,717 2,718 2,719 1,721 3,727 3,729 10,730 10,744 1,747 29,748 5,749 1,750 6,751 1,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 3,802 1,805 26,810 6,811 1,812 1,814 1,815 1,824 1,825 1.8,830 1,832 14,833 10.493,834 6.083,835 3.698,836 2.165,837 1.324,838 0.921,839 8.993,840 8.845,841 3.526,842 3.989,843 4.401,844 4.85,845 5.281,846 5.204,847 5.327,848 5.613,849 5.972,850 6.225,851 1,852 33,853 9.591,854 3.756,855 7.543,856 18.749,857 14.431,859 2.043,860 53.111,862 1,863 1,864 329.591,865 112.283,866 54.706,867 39.149,868 11,871 112.283,872 379.739,873 54.706,874 26.476,875 15.979,876 47.381,877 63.353,878 34.244,879 2.328,880 317.82,881 39.149,882 329.591,883 166.989,884 11,885 39.149,887 178.894,888 164.024,891 54.626,892 58.453,893 90.73,895 329.591,896 65.706,897 151.431,900 329.591,901 29.378,902 86.029,903 18.011,904 83.72,905 329.591,906 65.706,907 151.431,909 0.555,910 0.31,911 0.154,912 0.075,913 12,914 6,915 0.196,916 11,918 1,919 3.93,920 188.057,922 12,923 118.211,928 20.788,929 11.248,930 7.728,932 65.706,933 10.972,934 8.811,938 2.84,940 18.011,941 546.728,942 33,952 54.545,953 62.544,954 0.26,955 0.564,956 0.781,957 0.873,958 0.873,959 0.873,960 4.71,961 1.192,962 5.525,963 2.704,964 4.234,965 4.673,966 1.595,967 6.188,968 4.088,969 5.842,970 1.101,971 6.993,972 2.601,973 3.611,974 4.205,975 0.325,976 6.763,977 3.321,978 7.084,979 0.618,980 8.547,981 2.322,982 5.694,983 6.676,984 1.613,985 9.737,986 5.403,987 8.354,988 0.608,989 10.148,990 1.454,991 5.832,992 6.962,993 0.268,994 11.054,995 5.394,996 9.651,997 0.155,998 11.778,999 0.791,1000 7.362,1001 8.948,1002 1.779,1003 13.509,1004 6.926,1005 10.967,1006 -0.204,1007 13.426,1008 0.276,1009 7.876,1010 9.619,1011 0.188,1012 15.163,1013 7.3,1014 12.297,1015 -0.367,1016 15.086,1017 -0.446,1018 9.144,1019 11.361,1020 1.991,1021 17.401,1022 8.56,1023 2.751,1024 -0.484,1025 16.755,1026 -0.838,1027 9.863,1028 12.257,1029 0.125,1030 19.232,1031 9.148,1032 2.64,1033 7.915,1034 18.43,1035 -1.083,1036 10.997,1037 13.85,1038 2.225,1039 21.368,1040 10.261,1041 2.459,1042 7.434,1043 20.11,1044 3.689,1045 11.831,1046 14.886,1047 0.082,1048 23.295,1049 10.976,1050 2.326,1051 6.665,1052 21.794,1053 3.633,1054 12.895,1055 16.382,1056 2.473,1057 25.383,1058 12.005,1059 2.007,1060 6.461,1061 23.482,1062 2.7,1063 13.795,1064 17.508,1065 0.054,1066 27.363,1067 12.797,1068 1.848,1069 5.344,1070 25.173,1071 2.529,1072 14.822,1073 18.939,1074 2.73,1075 29.428,1076 13.778,1077 1.248,1078 5.098,1079 26.867,1080 2.449,1081 15.761,1082 20.123,1083 0.035,1084 31.439,1085 14.618,1086 8616,1087 13585,1088 17.682,1089 35.233,1090 37.863,1091 38.269,1092 39.422,1093 38.13,1094 37.908,1095 46.578,1096 4.702,1097 98.134,1098 35.11,1099 5.034,1100 5.09,1101 5.274,1102 4.757,1103 4.751,1104 6.689,1105 2.302,1106 13.619,1107 4.556,1108 13.771,1109 1.402,1110 1.417,1111 1.46,1112 1.412,1113 1.404,1114 1.725,1115 0.174,1116 3.635,1117 1.3,1118 3.94,1119 3.983,1120 3.998,1121 3.84,1122 5.033,1123 3.838,1124 3.853,1125 3.889,1126 3.834,1127 3.716,1128 4.939,1129 3.729,1130 3.768,1131 3.839,1132 3.64,1133 3.593,1134 4.529,1135 3.597,1136 3.597,1137 3.674,1138 3.449,1139 3.422,1140 4.354,1141 3.415,1142 3.306,1143 3.407,1144 3.344,1145 3.123,1146 4.25,1147 3.089,1148 3.279,1149 3.363,1150 3.077,1151 3.089,1152 4.122,1153 3.081,1154 3.203,1155 3.257,1156 3.04,1157 3.019,1158 3.92,1159 3.009,1160 2.879,1161 2.933,1162 2.99,1163 2.798,1164 3.892,1165 2.77,1166 0.152,1167 0.114,1168 0.209,1169 0.136,1170 0.102,1171 4.098,1172 0.137,1173 3.09,1174 0.043,1175 5.656,1176 0.293,1177 3.681,1178 0.095,1179 2.751,1180 3.689,1181 1.151,1182 7.915,1183 2.556,1184 1.872,1185 1.852,1186 2.022,1187 2.024,1188 1.34,1189 2.019,1190 1.814,1191 1.757,1192 1.961,1193 1.965,1194 1.125,1195 1.972,1196 1.728,1197 1.665,1198 1.909,1199 1.92,1200 1.045,1201 1.923,1202 1.592,1203 1.517,1204 1.818,1205 1.794,1206 0.898,1207 1.814,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.289,1215 1.204,1216 1.636,1217 1.523,1218 0.824,1219 1.566,1220 1.174,1221 1.123,1222 1.439,1223 1.406,1224 0.593,1225 1.419,1226 0.868,1227 0.824,1228 1.26,1229 1.133,1230 0.437,1231 1.183,1232 4.007,1233 5.252,1235 6.676,1237 8.177,1239 9.717,1241 6.602,1242 5.964,1247 5.953,1248 3.453,1249 5.706,1251 0.363,1252 2.447,1257 32.476,1258 82.655,1259 179.238,1260 248.326,1261 277.71,1262 277.71,1263 277.71,1264 46.756,1265 6.68,1266 50.28,1267 50.28,1268 12,1269 11.86,1270 3.7,1271 2.807,1272 55.32,1273 117,1274 108,1275 0.224,1276 209.772,1277 360.2,1278 503.605,1279 7149,1280 1.8,1281 18.778,1282 0.722,1283 0.641,1284 19.278,1285 16.668,1286 12.601,1287 0.467,1288 0.358,1289 9.21,1290 11.839,1291 8.872,1292 7.457,1293 12.89,1294 9.673,1295 10.568,1296 0.311,1297 0.199,1298 10.976,1299 6.755,1300 8.119,1301 0.208,1302 0.116,1303 8.381,1304 4.505,1305 6.311,1306 0.14,1307 0.065,1308 6.579,1309 2.919,1310 4.435,1311 0.089,1312 0.032,1313 4.612,1314 1.621,1315 0.365,1316 81.572,1317 0.238,1318 25.987,1319 0.576,1320 122,1321 333.207,1322 149.083,1323 350.965,1324 470.1,1325 330,1326 134,1327 320.683,1328 155.184,1329 332.552,1330 478.1,1331 313,1332 4.602}
{0 CHEMBL1924014,1 2.006,2 16.5,3 6.274,4 39.362,5 148.289,6 9.5,7 0.419,8 4.293,9 4.384,10 4.143,11 3.854,12 5.443,13 3.841,14 4.869,15 5.009,16 4.535,17 4.241,18 6.484,19 4.217,20 5.125,21 5.308,22 4.59,23 4.386,24 6.367,25 4.324,26 5.185,27 5.379,28 4.649,29 4.301,30 6.573,31 4.265,32 5.081,33 5.275,34 4.649,35 4.238,36 6.419,37 4.203,38 5.045,39 5.219,40 4.637,41 4.227,42 6.829,43 4.209,44 4.961,45 5.151,46 4.362,47 4.221,48 6.196,49 4.16,50 4.9,51 5.049,52 4.416,53 4.199,54 6.27,55 4.16,56 0.303,57 1.152,58 10.431,59 6.32,60 49.479,61 6.411,62 1.304,63 2.15,64 22.273,65 10.751,66 192.761,67 11.486,68 1.181,69 2.051,70 40.528,71 15.063,72 123.347,73 16.772,74 1.757,75 2.062,76 50.892,77 15.562,78 217.273,79 16.06,80 1.543,81 2.027,82 49.093,83 14.263,84 207.628,85 14.62,86 2.067,87 1.886,88 37.38,89 12.63,90 316.011,91 14.172,92 1.118,93 1.665,94 35.051,95 12.741,96 134.349,97 13.946,98 1.047,99 1.623,100 32.673,101 12.11,102 124.16,103 12.507,104 66,105 62,106 0.317,107 0.633,108 0.757,109 0.853,110 0.853,111 0.853,112 3.717,113 1.011,114 -4.71,115 -4.63,116 -4.35,119 40,121 3,125 4,131 1,138 8,139 2,140 5,141 1,143 1,151 1,163 8,165 2,166 5,169 3,171 2,172 10,176 12,179 3,181 4,183 6,187 11,192 5,197 5,198 4,203 4,205 4,208 1,209 11,212 1,214 4,217 4,221 12,226 1,227 7,230 1,231 5,234 1,238 14,241 1,242 5,245 1,246 1,247 1,249 15,252 3676,253 25.943,254 25.943,255 25.943,256 25.943,257 25.943,258 23.351,259 29.043,260 15.083,261 26.942,262 21.216,263 21.216,264 21.216,265 21.216,266 21.216,267 17.166,268 30.339,269 7.196,270 23.037,271 4.016,272 2.021,273 1.235,274 0.627,275 0.627,276 0.627,277 4.403,279 2,283 1,284 1397,285 4.95,288 606.438,295 2.675,296 80.666,299 0.75,300 0.83,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.75,307 91.167,308 660,309 4.874,310 4.692,311 7.344,312 4.362,313 3.456,314 4.722,315 3.825,316 12.646,317 3.126,318 4.501,319 4.468,320 7.204,321 4.177,322 3.304,323 3.965,324 1.058,325 12.058,326 2.873,327 4.263,328 3.557,329 6.188,330 3.847,331 2.895,332 3.884,333 0.86,334 9.226,335 2.82,336 4.161,337 3.225,338 6.026,339 3.759,340 2.789,341 3.743,342 0.8,343 8.578,344 2.614,345 3.72,346 2.958,347 5.444,348 3.448,349 2.519,350 3.075,352 6.97,353 2.338,354 3.623,355 2.865,356 5.341,357 3.308,358 2.368,359 2.858,361 6.918,362 2.222,363 3.518,364 2.83,365 5.318,366 3.173,367 2.314,368 2.727,370 6.795,371 1.946,372 3.417,373 2.512,374 4.936,375 2.931,376 2.054,377 2.519,379 5.706,380 1.708,381 3.081,382 2.013,383 4.837,384 2.621,385 1.673,386 2.284,388 4.951,389 1.582,390 2.911,391 1.823,392 4.289,393 2.56,394 1.608,395 2.008,397 4.035,398 1.466,399 2.807,400 1.68,401 4.172,402 2.412,403 1.441,404 1.896,406 3.758,407 1.381,408 2.583,409 1.557,410 4.031,411 2.304,412 1.361,413 1.616,415 3.141,416 1.27,417 2.538,418 1.387,419 3.648,420 2.114,421 1.153,422 1.527,424 3.125,425 1.089,426 2.5,427 1.377,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.058,436 1.077,437 3.263,438 1.984,439 1,440 1,442 2.136,443 0.983,444 19.052,445 0.476,446 1.338,447 0.033,448 49.5,449 1.238,450 23.5,451 0.588,452 26,453 0.65,454 38.529,455 0.963,456 45.148,457 0.695,458 47.313,459 1.183,460 9.572,461 0.239,462 9.348,463 0.234,464 0.172,465 0.07,466 0.257,469 3,472 0.584,473 1.128,474 0.617,475 1.118,476 0.598,477 0.909,478 0.524,479 0.843,480 0.683,481 0.901,482 0.405,483 0.929,484 0.762,485 0.891,486 0.891,487 1.026,488 0.624,489 0.996,490 1.025,491 1.005,492 0.892,493 1.041,494 0.983,495 0.941,496 0.859,497 0.94,498 0.609,499 0.875,500 1.031,501 0.808,502 0.522,503 0.778,504 0.668,505 0.858,506 0.543,507 0.865,508 0.921,509 0.774,510 0.857,511 0.831,512 0.833,513 0.866,514 1.031,515 0.919,516 1.087,517 1.006,518 0.953,519 0.993,520 11,521 0.379,522 5.556,523 3.063,524 2.458,525 1.958,526 0.912,527 0.859,528 0.555,529 0.476,530 28027,531 101323,532 1.995,533 38.5,534 2,535 16,537 1,538 2,540 4,542 1.797,543 1.832,544 3.93,545 0.248,550 130.391,551 2.006,552 4.002,553 4.788,554 5.395,555 5.395,556 5.395,557 3.407,558 4.653,559 5.288,560 4.188,561 3266.71,562 9.322,563 59268.2,568 391.454,569 1.68,570 5.222,571 0.256,572 0.009,573 0.09,574 0.049,575 0.042,576 0.034,577 0.015,578 0.017,579 0.01,580 0.01,581 0.53,582 0.17,583 0.88,584 0.73,585 229.553,586 -0.012,587 -0.117,588 0.082,589 -0.078,590 -0.084,591 0.008,592 0.292,593 0.198,594 0.055,595 0.039,596 0.37,597 -0.023,598 -0.027,599 -0.091,600 0.028,601 -0.046,602 0.033,603 0.004,604 -0.043,605 -0.116,606 0.102,607 -0.041,608 -0.008,609 0.051,610 0.061,611 -0.076,612 0.29,613 0.11,614 -0.07,615 0.172,616 0.48,617 0.187,618 0.216,619 0.065,620 0.49,621 0.084,622 -0.127,623 0.027,624 0.025,625 0.128,626 -0.08,627 0.14,628 -0.148,629 -0.094,630 -0.101,631 -0.032,632 -0.094,633 -0.02,634 6.106,635 5.92,636 0.6,637 58.085,638 1.038,639 1.139,640 3.48,641 12.11,642 0.691,643 3.784,644 4.143,645 4.331,646 4.533,647 4.754,648 4.812,649 4.828,650 4.942,651 4.977,652 5.118,653 9.592,654 0.674,655 617.52,656 3.784,657 5.352,658 6.184,659 7.069,660 7.92,661 8.807,662 9.666,663 10.555,664 11.419,665 12.311,666 6.2,669 1,671 1,673 1,676 1,681 9,682 1,686 8,688 18,692 1,701 1,702 2,703 65,705 21,706 2,707 43,709 68,710 26,711 17,712 5,713 7,714 1,717 4,718 4,719 2,721 1,724 3,726 1,727 3,729 18,730 8,733 3,736 1,737 3,741 1,745 3,747 25,748 11,749 2,750 14,751 3,755 4,760 1,761 4,770 1,776 4,792 1,796 4,799 1,802 2,803 3,805 40,808 1,810 7,811 2,812 1,815 1,816 1,824 5,825 6.2,828 3,830 1,832 21.833,833 11.448,834 8.542,835 3.859,836 3.562,837 1.433,838 0.984,839 9.857,840 11.782,841 4.025,842 4.63,843 5.092,844 5.588,845 6.12,846 6.344,847 6.554,848 6.847,849 7.097,850 7.481,851 0.909,852 63,853 16.125,854 8.19,855 8.31,856 27.255,857 22.528,859 2.81,860 112.389,864 270.735,865 146.893,866 54.326,867 78.297,868 80.458,869 44.88,870 5.807,871 141.086,872 429.49,873 99.206,875 34.037,876 81.617,877 119.124,878 90.975,879 4.815,880 258.964,881 86.057,882 270.735,883 195.411,884 125.338,885 84.105,887 223.651,888 172.423,891 53.968,892 108.253,893 117.295,895 315.616,896 134.783,897 225.191,899 5.807,900 278.495,901 48.469,902 87.982,903 34.416,904 220.421,905 270.735,906 179.664,907 225.191,909 0.596,910 0.329,911 0.163,912 0.09,913 28,914 14,915 0.132,916 9,918 1,919 4.905,920 383.75,922 24,923 198.122,927 1,928 30.414,929 12.964,930 8.25,932 179.664,933 10.711,934 3.999,938 -2.357,940 34.416,941 675.59,942 55,945 -4.523,946 38.332,950 -0.247,952 67.465,953 74.056,954 0.333,955 0.664,956 0.795,957 0.896,958 0.896,959 0.896,960 5.296,961 2.054,962 6.229,963 6.795,964 4.828,965 5.318,966 3.239,967 7.081,968 4.668,969 6.536,970 1.673,971 7.829,972 5.706,973 4.691,974 5.407,975 3.911,976 8.337,977 4.342,978 7.886,979 1.608,980 9.546,981 4.951,982 6.535,983 7.574,984 5.438,985 11.332,986 6.204,987 9.274,988 1.441,989 11.336,990 4.035,991 7.171,992 8.446,993 6.69,994 13.394,995 6.65,996 10.697,997 1.361,998 13.173,999 3.758,1000 8.577,1001 10.189,1002 8.059,1003 16.032,1004 8.046,1005 12.146,1006 1.153,1007 15.043,1008 3.141,1009 9.538,1010 11.401,1011 9.389,1012 18.383,1013 8.839,1014 13.614,1015 1,1016 16.939,1017 3.125,1018 10.799,1019 12.997,1020 10.734,1021 20.928,1022 10.051,1023 3.456,1024 1,1025 18.853,1026 2.275,1027 11.9,1028 14.369,1029 12.074,1030 23.385,1031 11.006,1032 3.304,1033 12.646,1034 20.782,1035 2.136,1036 13.117,1037 15.912,1038 13.416,1039 25.907,1040 12.145,1041 2.895,1042 12.058,1043 22.722,1044 4.722,1045 14.28,1046 17.364,1047 14.758,1048 28.402,1049 13.176,1050 2.789,1051 9.226,1052 24.671,1053 3.965,1054 15.487,1055 18.893,1056 16.1,1057 30.92,1058 14.289,1059 2.519,1060 8.578,1061 26.627,1062 3.884,1063 16.678,1064 20.385,1065 17.441,1066 33.43,1067 15.358,1068 2.368,1069 6.97,1070 28.589,1071 3.743,1072 17.887,1073 21.913,1074 18.783,1075 35.949,1076 16.463,1077 2.314,1078 6.918,1079 30.556,1080 3.075,1081 19.092,1082 23.428,1083 20.124,1084 38.466,1085 17.552,1086 26958,1087 52192,1088 27.622,1089 44.915,1090 64.984,1091 66.651,1092 65.974,1093 65.021,1094 64.472,1095 81.625,1096 13.087,1097 190.611,1098 59.267,1099 5.874,1100 6.692,1101 7.146,1102 5.455,1103 5.456,1104 7.722,1105 5.335,1106 20.25,1107 5.126,1108 24.827,1109 1.511,1110 1.55,1111 1.534,1112 1.512,1113 1.499,1114 1.898,1115 0.304,1116 4.433,1117 1.378,1118 4.104,1119 4.089,1120 4.738,1121 4.081,1122 8.513,1123 4.006,1124 3.949,1125 3.971,1126 3.992,1127 3.862,1128 7.999,1129 3.865,1130 3.858,1131 3.915,1132 3.977,1133 3.741,1134 7.999,1135 3.744,1136 3.825,1137 3.856,1138 3.865,1139 3.693,1140 7.717,1141 3.688,1142 3.648,1143 3.62,1144 3.716,1145 3.565,1146 7.429,1147 3.491,1148 3.527,1149 3.596,1150 3.434,1151 3.325,1152 6.999,1153 3.331,1154 3.262,1155 3.302,1156 3.389,1157 3.007,1158 5.065,1159 3.032,1160 3.215,1161 3.254,1162 3.303,1163 2.974,1164 4.886,1165 3.017,1166 0.113,1167 0.109,1168 0.171,1169 0.101,1170 0.08,1171 4.874,1172 0.11,1173 4.692,1174 0.089,1175 7.344,1176 0.294,1177 4.362,1178 0.073,1179 3.456,1180 4.722,1181 3.825,1182 12.646,1183 3.126,1184 1.971,1185 1.983,1186 2.061,1187 2.054,1188 1.413,1189 2.073,1190 1.904,1191 1.886,1192 1.997,1193 2.032,1194 1.188,1195 2.046,1196 1.831,1197 1.768,1198 1.944,1199 1.993,1200 1.096,1201 1.996,1202 1.781,1203 1.755,1204 1.832,1205 1.901,1206 1.03,1207 1.893,1208 1.495,1209 1.473,1210 1.756,1211 1.725,1212 0.93,1213 1.74,1214 1.427,1215 1.421,1216 1.513,1217 1.599,1218 0.825,1219 1.61,1220 1.153,1221 1.089,1222 1.335,1223 1.388,1224 0.561,1225 1.429,1226 1.12,1227 1.064,1228 1.207,1229 1.376,1230 0.555,1231 1.37,1232 4.466,1233 5.814,1235 7.343,1237 8.95,1239 10.6,1242 11.586,1243 39.737,1247 6.943,1248 5.049,1249 5.702,1252 2.313,1253 -4.856,1257 43.785,1258 130.391,1259 260.112,1260 311.189,1261 350.699,1262 350.699,1263 350.699,1264 134.139,1265 8.219,1266 100.63,1267 109.01,1268 24,1269 12.844,1270 4.459,1271 3.7,1272 73.559,1273 226,1274 266,1275 0.152,1276 275.877,1277 496.12,1278 664.9,1279 53210,1280 7.7,1281 28.916,1282 0.723,1283 0.582,1284 27.666,1285 23.3,1286 18.92,1287 0.44,1288 0.337,1289 12.22,1290 16.666,1291 11.885,1292 9.738,1293 19.107,1294 14.497,1295 18.52,1296 0.299,1297 0.186,1298 18.604,1299 11.562,1300 13.932,1301 0.186,1302 0.107,1303 14.991,1304 8.008,1305 11.064,1306 0.12,1307 0.06,1308 11.504,1309 5.529,1310 8.735,1311 0.076,1312 0.035,1313 9.906,1314 4.03,1315 0.247,1316 134.625,1317 0.19,1318 36.601,1319 0.397,1320 210,1321 888.499,1322 313.02,1323 847.084,1324 1084.28,1325 776,1326 242,1327 688.006,1328 338.083,1329 727.35,1330 1081.58,1331 680,1332 5}
{0 CHEMBL1924024,1 1.981,2 15.61,3 6.413,4 41.124,5 151.995,6 9.441,7 0.409,8 4.324,9 4.409,10 4.165,11 3.876,12 5.48,13 3.866,14 4.897,15 5.032,16 4.558,17 4.259,18 6.499,19 4.243,20 5.121,21 5.287,22 4.613,23 4.4,24 6.385,25 4.347,26 5.188,27 5.36,28 4.701,29 4.346,30 6.6,31 4.322,32 5.14,33 5.309,34 4.72,35 4.329,36 6.479,37 4.301,38 5.148,39 5.307,40 4.722,41 4.339,42 6.902,43 4.325,44 5.095,45 5.267,46 4.485,47 4.347,48 6.32,49 4.293,50 5.075,51 5.228,52 4.563,53 4.353,54 6.412,55 4.298,56 0.325,57 1.148,58 10.924,59 6.65,60 47.912,61 6.672,62 1.38,63 2.15,64 24.071,65 11.232,66 195.168,67 11.69,68 1.243,69 2.029,70 38.948,71 15.139,72 117.204,73 16.305,74 1.771,75 2.08,76 49.836,77 15.994,78 209.545,79 15.773,80 1.67,81 2.13,82 50.243,83 15.529,84 200.363,85 15.303,86 2.24,87 2.046,88 39.71,89 14.237,90 330.643,91 15.581,92 1.367,93 1.852,94 37.513,95 14.382,96 156.834,97 15.076,98 1.369,99 1.861,100 38.047,101 14.661,102 130.058,103 15.584,104 86,105 64,106 0.312,107 0.618,108 0.762,109 0.861,110 0.871,111 0.871,112 3.741,113 1,114 -4.09,115 -4.04,116 -3.82,119 40.3,121 2,124 1,125 4,131 1,138 9,139 2,140 7,151 1,163 7,165 1,166 6,169 3,171 2,172 9,175 1,176 12,179 2,181 5,183 7,187 9,192 5,194 1,197 4,198 5,201 1,203 3,205 6,208 1,209 12,212 2,214 3,217 9,221 7,226 1,227 11,230 3,231 6,236 1,238 13,241 1,242 7,245 1,246 1,247 2,249 10,252 3812,253 26.606,254 26.606,255 26.606,256 26.606,257 26.606,258 24.013,259 31.962,260 15.302,261 27.71,262 21.632,263 21.632,264 21.632,265 21.632,266 21.632,267 17.483,268 33.628,269 7.182,270 23.515,271 4.085,272 2.137,273 1.224,274 0.59,275 0.53,276 0.53,277 4.425,279 2,283 1,284 1351,285 5.099,287 142.361,288 451.73,295 2.595,296 84.043,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 93.667,308 640,309 4.874,310 4.692,311 7.344,312 4.363,313 3.456,314 4.722,315 3.825,316 12.646,317 3.128,318 4.501,319 4.468,320 7.204,321 4.178,322 3.305,323 4.011,324 1.058,325 12.058,326 2.901,327 4.357,328 3.567,329 6.304,330 3.957,331 3,332 3.947,333 0.86,334 9.61,335 2.869,336 4.201,337 3.297,338 6.123,339 3.775,340 2.816,341 3.834,342 0.86,343 8.974,344 2.659,345 3.872,346 3.026,347 5.873,348 3.521,349 2.57,350 3.228,351 0.8,352 8.062,353 2.436,354 3.623,355 2.957,356 5.441,357 3.452,358 2.51,359 2.859,361 6.996,362 2.348,363 3.539,364 2.848,365 5.352,366 3.175,367 2.316,368 2.757,370 6.844,371 1.949,372 3.448,373 2.695,374 4.963,375 2.97,376 2.103,377 2.54,379 5.822,380 1.738,381 3.085,382 2.131,383 4.868,384 2.625,385 1.697,386 2.287,388 5.044,389 1.549,390 2.925,391 1.941,392 4.47,393 2.557,394 1.596,395 2.065,397 4.351,398 1.509,399 2.905,400 1.808,401 4.209,402 2.477,403 1.54,404 1.995,406 3.866,407 1.408,408 2.791,409 1.639,410 4.167,411 2.343,412 1.37,413 1.886,415 3.688,416 1.319,417 2.583,418 1.542,419 4.031,420 2.253,421 1.263,422 1.616,424 3.125,425 1.242,426 2.402,427 1.376,428 3.549,429 2.114,430 1.153,431 1.377,433 2.826,434 1.089,435 1.929,436 1.199,437 3.264,438 1.777,439 0.798,440 0.871,442 1.757,443 0.774,444 19.486,445 0.475,446 1.39,447 0.034,448 50.5,449 1.232,450 24,451 0.585,452 26.5,453 0.646,454 40.54,455 0.989,456 46.514,457 0.694,458 50.299,459 1.227,460 9.993,461 0.244,462 9.376,463 0.229,464 0.194,465 0.068,466 0.277,469 3,472 0.608,473 1.111,474 0.619,475 1.128,476 0.605,477 0.915,478 0.621,479 0.806,480 0.682,481 0.854,482 0.427,483 0.864,484 0.806,485 0.906,486 0.92,487 1.025,488 0.656,489 0.995,490 1.073,491 1.016,492 0.952,493 1.067,494 1.03,495 0.949,496 0.893,497 0.947,498 0.667,499 0.945,500 1.017,501 0.859,502 0.591,503 0.763,504 0.676,505 0.88,506 0.603,507 0.902,508 1.007,509 0.758,510 0.867,511 0.848,512 0.904,513 0.931,514 0.847,515 0.892,516 0.991,517 1.025,518 0.764,519 1.045,520 11.5,521 0.396,522 6,523 3.285,524 2.823,525 2.288,526 0.939,527 0.993,528 0.737,529 0.525,530 28239,531 104341,532 1.981,533 38.8,535 20,538 2,540 4,542 1.806,543 1.809,544 3.868,545 0.234,550 132.715,551 1.981,552 3.929,553 4.842,554 5.476,555 5.536,556 5.536,557 3.373,558 4.803,559 5.324,560 4.12,561 3378.22,562 9.41,563 60762.3,568 406.428,569 1.716,570 5.251,571 0.261,572 0.008,573 0.094,574 0.051,575 0.044,576 0.036,577 0.014,578 0.017,579 0.012,580 0.009,581 0.546,582 0.33,583 0.88,584 0.823,585 234.909,586 -0.016,587 -0.107,588 0.082,589 -0.082,590 -0.09,591 0.006,592 0.228,593 0.229,594 0.067,595 0.092,596 0.355,597 0.044,598 -0.04,599 -0.087,600 -0.003,601 -0.038,602 0.018,603 -0.01,604 -0.071,605 -0.096,606 0.057,607 -0.055,608 -0.034,609 0.026,610 0.042,611 -0.07,612 0.223,613 0.062,614 -0.077,615 0.108,616 0.407,617 0.185,618 0.172,619 0.037,620 0.435,621 0.038,622 -0.173,623 0.032,624 -0.03,625 0.093,626 -0.136,627 0.047,628 -0.016,629 -0.095,630 -0.037,631 -0.047,632 -0.015,633 -0.057,634 6.111,635 6.029,636 0.561,637 57.047,638 1.038,639 1.137,640 2.859,641 8.176,642 0.688,643 3.807,644 4.174,645 4.382,646 4.595,647 4.787,648 4.898,649 4.92,650 5.043,651 5.088,652 5.198,653 9.192,654 0.672,655 632.53,656 3.807,657 5.38,658 6.221,659 7.112,660 7.973,661 8.866,662 9.734,663 10.628,664 11.5,665 12.397,666 4.5,669 1,671 1,673 1,681 9,686 9,688 18,692 1,701 2,702 2,703 67,705 21,706 3,707 44,709 70,710 27,711 18,712 9,713 9,714 1,717 4,718 4,719 2,721 1,724 2,726 1,727 2,729 19,730 8,733 3,736 1,737 3,741 1,745 3,747 26,748 11,749 2,750 14,751 3,755 3,760 1,761 5,773 1,775 1,776 3,792 1,796 4,799 1,801 1,802 2,803 3,805 41,808 1,810 6,811 2,812 2,815 1,816 1,824 5,825 7.5,828 3,830 2,832 22.667,833 12.164,834 8.819,835 3.847,836 3.582,837 1.435,838 0.979,839 10.112,840 11.811,841 4.043,842 4.659,843 5.14,844 5.644,845 6.175,846 6.429,847 6.645,848 6.936,849 7.185,850 7.553,851 1,852 65,853 16.513,854 8.356,855 8.306,856 27.877,857 22.945,859 2.806,860 115.056,864 282.506,865 161.343,866 37.54,867 78.297,868 91.458,869 44.88,870 5.807,871 155.535,872 452.261,873 82.42,874 10.883,875 31.503,876 91.094,877 90.568,878 103.415,880 282.506,881 86.057,882 282.506,883 193.076,884 136.338,885 84.105,887 235.422,888 183.422,891 42.386,892 134.284,893 100.51,895 327.387,896 128.998,897 239.64,899 5.807,900 290.266,901 51.607,902 99.294,903 34.416,904 214.635,905 282.506,906 173.878,907 239.64,909 0.596,910 0.337,911 0.169,912 0.089,913 29,914 15,915 0.143,916 10,918 1,919 4.876,920 404.848,922 23,923 208.905,927 1,928 31.417,929 13.196,930 8.066,932 173.878,933 10.774,938 -1.976,940 34.416,941 696.025,942 56,945 -4.528,946 38.708,950 -0.296,952 69.574,953 76.182,954 0.327,955 0.648,956 0.798,957 0.903,958 0.913,959 0.913,960 5.321,961 2.103,962 6.271,963 6.844,964 4.86,965 5.347,966 3.296,967 7.138,968 4.7,969 6.568,970 1.697,971 7.882,972 5.822,973 4.745,974 5.466,975 3.911,976 8.4,977 4.408,978 7.924,979 1.596,980 9.607,981 5.044,982 6.581,983 7.619,984 5.443,985 11.402,986 6.256,987 9.319,988 1.54,989 11.401,990 4.351,991 7.238,992 8.512,993 6.69,994 13.453,995 6.739,996 10.747,997 1.37,998 13.24,999 3.866,1000 8.631,1001 10.243,1002 8.059,1003 16.088,1004 8.117,1005 12.199,1006 1.263,1007 15.11,1008 3.688,1009 9.603,1010 11.466,1011 9.389,1012 18.427,1013 8.934,1014 13.67,1015 1.153,1016 17.003,1017 3.125,1018 10.855,1019 13.054,1020 10.734,1021 20.968,1022 10.135,1023 3.456,1024 0.798,1025 18.914,1026 2.826,1027 11.96,1028 14.429,1029 12.074,1030 23.415,1031 11.102,1032 3.305,1033 12.646,1034 20.839,1035 1.757,1036 13.17,1037 15.967,1038 13.416,1039 25.932,1040 12.236,1041 3,1042 12.058,1043 22.774,1044 4.722,1045 14.332,1046 17.417,1047 14.758,1048 28.421,1049 13.273,1050 2.816,1051 9.61,1052 24.719,1053 4.011,1054 15.535,1055 18.941,1056 16.1,1057 30.936,1058 14.383,1059 2.57,1060 8.974,1061 26.671,1062 3.947,1063 16.724,1064 20.43,1065 17.441,1066 33.442,1067 15.454,1068 2.51,1069 8.062,1070 28.628,1071 3.834,1072 17.929,1073 21.954,1074 18.783,1075 35.959,1076 16.558,1077 2.316,1078 6.996,1079 30.59,1080 3.228,1081 19.131,1082 23.465,1083 20.124,1084 38.474,1085 17.647,1086 27278,1087 53216,1088 28.027,1089 46.125,1090 66.249,1091 68.283,1092 67.954,1093 66.61,1094 66.052,1095 83.4,1096 14.807,1097 197.844,1098 60.634,1099 5.845,1100 6.692,1101 7.001,1102 5.457,1103 5.456,1104 7.722,1105 5.335,1106 20.25,1107 5.128,1108 26.611,1109 1.506,1110 1.552,1111 1.544,1112 1.514,1113 1.501,1114 1.895,1115 0.337,1116 4.496,1117 1.378,1118 4.108,1119 4.093,1120 4.739,1121 4.085,1122 8.513,1123 4.013,1124 3.961,1125 3.975,1126 4.004,1127 3.876,1128 7.999,1129 3.879,1130 3.867,1131 3.919,1132 3.979,1133 3.791,1134 7.999,1135 3.788,1136 3.837,1137 3.867,1138 3.883,1139 3.683,1140 7.717,1141 3.682,1142 3.656,1143 3.625,1144 3.721,1145 3.58,1146 7.429,1147 3.502,1148 3.516,1149 3.581,1150 3.439,1151 3.301,1152 6.999,1153 3.312,1154 3.264,1155 3.324,1156 3.389,1157 3.019,1158 5.007,1159 3.036,1160 3.263,1161 3.303,1162 3.317,1163 2.975,1164 4.885,1165 3.019,1166 0.111,1167 0.107,1168 0.167,1169 0.099,1170 0.079,1171 4.874,1172 0.107,1173 4.692,1174 0.087,1175 7.344,1176 0.287,1177 4.363,1178 0.071,1179 3.456,1180 4.722,1181 3.825,1182 12.646,1183 3.128,1184 1.978,1185 1.989,1186 1.993,1187 2.057,1188 1.211,1189 2.077,1190 1.906,1191 1.896,1192 1.947,1193 2.009,1194 1.194,1195 2.005,1196 1.83,1197 1.813,1198 1.907,1199 1.923,1200 1.17,1201 1.924,1202 1.622,1203 1.546,1204 1.86,1205 1.854,1206 1.085,1207 1.858,1208 1.577,1209 1.507,1210 1.849,1211 1.751,1212 1.03,1213 1.793,1214 1.44,1215 1.486,1216 1.581,1217 1.608,1218 0.822,1219 1.622,1220 1.3,1221 1.241,1222 1.549,1223 1.589,1224 0.579,1225 1.581,1226 1.19,1227 1.112,1228 1.228,1229 1.49,1230 0.575,1231 1.513,1232 4.489,1233 5.844,1234 2.398,1235 7.375,1236 4.443,1237 8.987,1238 6.26,1239 10.645,1241 1.376,1242 11.696,1243 39.906,1247 5.603,1248 5.092,1249 11.286,1252 2.276,1253 -4.861,1257 45.005,1258 132.715,1259 263.256,1260 324.389,1261 366.918,1262 370.918,1263 370.918,1264 143.081,1265 8.23,1266 96.97,1267 105.35,1268 23,1269 12.926,1270 4.459,1271 3.7,1272 76.231,1273 222,1274 254,1275 0.162,1276 282.671,1277 511.21,1278 681.478,1279 51288,1280 7.5,1281 29.786,1282 0.726,1283 0.587,1284 28.536,1285 24.054,1286 19.368,1287 0.44,1288 0.333,1289 12.363,1290 17.024,1291 11.98,1292 9.826,1293 19.556,1294 14.667,1295 18.887,1296 0.295,1297 0.183,1298 18.971,1299 11.684,1300 14.465,1301 0.183,1302 0.104,1303 15.524,1304 8.225,1305 11.545,1306 0.118,1307 0.058,1308 11.986,1309 5.695,1310 8.719,1311 0.073,1312 0.032,1313 9.891,1314 3.839,1315 0.259,1316 137.979,1317 0.189,1318 36.988,1319 0.43,1320 216,1321 920.589,1322 320.067,1323 871.83,1324 1117.05,1325 800,1326 251,1327 709.086,1328 348.165,1329 748.987,1330 1113.8,1331 699,1332 5}
{0 CHEMBL193932,1 1.438,2 13.148,3 3.908,4 15.269,5 109.371,6 6.315,7 0.429,8 4.128,9 4.269,10 3.542,11 3.569,12 5.116,13 3.528,14 4.687,15 4.91,16 3.804,17 3.89,18 5.594,19 3.82,20 4.895,21 5.152,22 3.827,23 4.026,24 5.739,25 3.923,26 4.948,27 5.207,28 3.753,29 4.081,30 5.738,31 3.927,32 5.049,33 5.352,34 3.687,35 4.072,36 5.776,37 3.894,38 4.954,39 5.253,40 3.651,41 3.976,42 5.688,43 3.823,44 4.808,45 5.079,46 3.647,47 3.91,48 5.651,49 3.772,50 4.84,51 5.139,52 3.529,53 3.849,54 5.609,55 3.698,56 0.052,57 0.825,58 14.413,59 5.253,60 10.836,61 7.819,62 0.301,63 1.226,64 25.754,65 7.808,66 29.125,67 12.118,68 0.468,69 1.415,70 31.669,71 9.197,72 36.788,73 14.693,74 0.369,75 1.465,76 32.558,77 11.236,78 33.477,79 17.044,80 0.411,81 1.504,82 35.893,83 11.513,84 39.559,85 18.079,86 0.375,87 1.379,88 32.881,89 9.82,90 35.311,91 15.797,92 0.382,93 1.287,94 28.582,95 8.72,96 35.898,97 13.985,98 0.338,99 1.224,100 29.436,101 8.547,102 34.236,103 13.881,104 32,105 35,106 0.238,107 0.523,108 0.753,109 0.836,110 0.841,111 0.847,112 3.338,113 1.041,114 -4.25,115 -4.18,116 -3.95,119 35.6,120 3,121 2,124 1,125 4,127 1,138 5,140 2,141 1,143 1,145 1,163 3,165 1,166 9,169 1,171 3,172 4,175 2,176 3,181 1,183 2,186 1,187 4,190 1,194 5,198 7,201 2,205 3,209 4,220 3,221 6,226 4,227 4,231 1,236 1,238 1,241 1,242 3,245 1,247 1,249 7,252 1278,253 18.472,254 18.472,255 18.472,256 18.472,257 18.472,258 17.025,259 29.442,260 11.239,261 19.156,262 13.648,263 13.648,264 13.648,265 13.648,266 13.648,267 11.438,268 43.597,269 5.131,270 14.582,271 4.445,272 2.724,273 1.329,274 0.831,275 0.797,276 0.763,277 4.008,282 1,283 1,284 720,285 4.123,288 206.59,295 2.302,296 17.714,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 58,308 355,309 4.104,310 3.064,311 5.661,312 3.689,313 2.756,314 3.696,315 1.151,316 7.927,317 2.57,318 4.045,319 2.887,320 5.577,321 3.617,322 2.67,323 3.648,324 0.86,325 7.665,326 2.522,327 3.518,328 2.784,329 5.276,330 3.389,331 2.46,332 2.71,333 0.8,334 6.667,335 2.29,336 3.436,337 2.667,338 5.177,339 3.27,340 2.333,341 2.578,342 0.4,343 6.491,344 2.176,345 3.341,346 2.429,347 4.945,348 2.996,349 2.076,350 2.449,352 5.796,353 1.901,354 3.098,355 2.036,356 4.693,357 2.821,358 1.867,359 2.168,361 5.145,362 1.771,363 2.696,364 1.447,365 3.526,366 2.225,367 1.264,368 1.781,370 2.723,371 1.212,372 2.662,373 1.284,374 3.493,375 2.175,376 1.208,377 1.735,379 2.627,380 1.165,381 2.138,382 1.168,383 3.362,384 2.066,385 1.101,386 1.133,388 2.322,389 1.059,390 1.825,391 0.962,392 3.168,393 1.591,394 0.618,395 0.721,397 1.46,398 0.6,399 1.618,400 0.93,401 2.762,402 1.498,403 0.613,404 0.618,406 0.791,407 0.538,408 1.583,409 0.744,410 2.687,411 1.291,412 0.425,413 0.478,415 0.62,416 0.365,417 1.21,418 0.294,419 2.618,420 1.119,421 0.155,422 0.159,424 0.276,425 0.149,426 0.987,427 -0.073,428 2.385,429 0.74,430 -0.204,431 -0.229,433 -0.446,434 -0.192,435 0.876,436 -0.096,437 2.208,438 0.521,439 -0.419,440 -0.518,442 -1.026,443 -0.39,444 12.767,445 0.473,446 0.447,447 0.017,448 30.75,449 1.139,450 13.5,451 0.5,452 17.25,453 0.639,454 25.091,455 0.929,456 31.633,457 0.536,458 20.912,459 0.775,460 5.979,461 0.221,462 7.16,463 0.265,464 0.157,466 0.227,472 0.935,473 1.673,474 0.968,475 1.415,476 0.935,477 1.224,478 1.337,479 1.182,480 1.014,481 1.042,482 0.948,483 0.993,484 1.259,485 0.927,486 1.068,487 0.893,488 1.056,489 0.933,490 0.713,491 1.181,492 1.031,493 1.214,494 0.763,495 1.171,496 0.735,497 0.934,498 0.892,499 0.943,500 0.822,501 0.936,502 1.062,503 0.928,504 0.899,505 0.823,506 1.045,507 0.835,508 0.795,509 1.098,510 1.018,511 1.06,512 0.89,513 1.056,514 1.108,515 0.946,516 0.945,517 0.861,518 1.101,519 0.872,520 5.5,521 0.14,522 1.778,523 1.375,524 0.924,525 0.583,526 0.388,527 0.248,528 0.206,529 0.156,530 9416,531 20202,532 1.975,533 54.2,535 17,537 1,538 1,540 13,542 1.696,543 1.862,544 3.688,545 -0.346,547 1,550 84.837,551 1.438,552 3.158,553 4.554,554 5.052,555 5.086,556 5.12,557 3.134,558 4.533,559 4.723,560 3.882,561 1362.47,562 8.175,563 19128.8,565 1,567 1,568 347.076,569 1.311,570 4.691,571 0.196,572 0.007,573 0.051,574 0.039,575 0.03,576 0.02,577 0.013,578 0.009,579 0.008,580 0.006,581 0.38,582 0.33,583 0.88,584 1.993,585 138.606,586 0.015,587 -0.331,588 0.061,589 -0.178,590 0.004,591 -0.07,592 -0.043,593 -0.046,594 0.036,595 -0.013,596 0.155,597 0.014,598 -0.053,599 0.152,600 -0.035,601 0.074,602 0.025,603 0.036,604 0.121,605 -0.15,606 -0.064,607 -0.169,608 0.097,609 -0.144,610 0.066,611 0.005,612 0.064,613 0.015,614 0.068,615 0.035,616 -0.076,617 0.013,618 0.083,619 0.113,620 -0.03,621 0.117,622 0.1,623 -0.043,624 -0.029,625 -0.082,626 0.125,627 -0.074,628 -0.086,629 0.004,630 0.044,631 0.064,632 -0.072,633 0.072,634 1.182,635 2.272,636 0.444,637 31.556,638 0.99,639 1.139,640 3.016,641 9.093,642 0.62,643 3.367,644 3.584,645 3.738,646 3.871,647 3.989,648 3.951,649 3.989,650 4.007,651 4.094,652 4.111,653 7.823,654 0.574,655 372.57,656 3.367,657 4.844,658 5.631,659 6.447,660 7.246,661 8.067,662 8.871,663 9.695,664 10.502,665 11.328,666 6.8,669 1,671 1,676 2,681 6,682 2,686 4,688 12,697 1,701 2,703 59,705 12,706 1,707 28,709 60,710 21,711 10,712 2,713 4,717 2,718 2,721 3,727 3,729 10,730 11,744 1,747 32,748 6,749 1,750 6,755 4,760 1,761 2,771 1,776 2,792 1,796 2,801 4,805 27,810 6,811 1,812 2,814 1,815 1,825 3.4,830 2,832 14.5,833 11.517,834 6.417,835 3.871,836 2.193,837 1.324,838 0.912,839 9.363,840 8.972,841 3.555,842 4.007,843 4.437,844 4.885,845 5.326,846 5.27,847 5.43,848 5.655,849 6.01,850 6.292,851 0.889,852 35,853 9.963,854 3.863,855 7.519,856 19.498,857 14.841,859 2.019,860 54.5,862 1,863 1,864 364.904,865 124.909,866 54.706,868 22,871 124.909,872 386.904,873 54.706,874 37.359,875 15.979,876 47.381,877 63.353,878 46.986,879 2.328,880 353.133,882 364.904,883 179.615,884 22,887 214.208,888 175.024,891 54.626,892 71.079,893 51.582,895 364.904,896 76.706,897 124.909,900 364.904,901 31.121,902 96.912,903 18.011,904 55.571,905 364.904,906 76.706,907 124.909,909 0.551,910 0.316,911 0.157,912 0.077,913 12,914 6,915 0.2,916 12,918 1,919 4.014,920 198.21,922 12,923 124.382,928 21.456,929 11.782,930 7.734,932 76.706,933 11.184,934 8.855,938 2.992,940 18.011,941 566.519,942 34,952 58.432,953 67.225,954 0.244,955 0.537,956 0.774,957 0.859,958 0.865,959 0.87,960 4.736,961 1.208,962 5.557,963 2.723,964 4.263,965 4.691,966 1.858,967 6.225,968 4.135,969 5.862,970 1.101,971 7.027,972 2.627,973 3.611,974 4.205,975 0.325,976 6.823,977 3.404,978 7.103,979 0.618,980 8.585,981 2.322,982 5.727,983 6.694,984 1.811,985 9.794,986 5.469,987 8.374,988 0.613,989 10.191,990 1.46,991 5.861,992 6.983,993 0.268,994 11.14,995 5.509,996 9.674,997 0.425,998 11.827,999 0.791,1000 7.401,1001 8.968,1002 1.907,1003 13.586,1004 7.014,1005 10.992,1006 0.155,1007 13.48,1008 0.62,1009 7.918,1010 9.648,1011 0.188,1012 15.266,1013 7.433,1014 12.324,1015 -0.204,1016 15.146,1017 0.276,1018 9.189,1019 11.384,1020 2.07,1021 17.498,1022 8.672,1023 2.756,1024 -0.419,1025 16.82,1026 -0.446,1027 9.913,1028 12.29,1029 0.125,1030 19.349,1031 9.302,1032 2.67,1033 7.927,1034 18.5,1035 -1.026,1036 11.048,1037 13.878,1038 2.272,1039 21.484,1040 10.401,1041 2.46,1042 7.665,1043 20.186,1044 3.696,1045 11.889,1046 14.923,1047 0.082,1048 23.427,1049 11.152,1050 2.333,1051 6.667,1052 21.875,1053 3.648,1054 12.953,1055 16.415,1056 2.501,1057 25.516,1058 12.175,1059 2.076,1060 6.491,1061 23.567,1062 2.71,1063 13.86,1064 17.549,1065 0.054,1066 27.509,1067 12.998,1068 1.867,1069 5.796,1070 25.263,1071 2.578,1072 14.889,1073 18.978,1074 2.746,1075 29.578,1076 13.979,1077 1.264,1078 5.145,1079 26.96,1080 2.449,1081 15.833,1082 20.169,1083 0.035,1084 31.598,1085 14.844,1086 9545,1087 14267,1088 18.375,1089 36.591,1090 38.986,1091 39.707,1092 40.89,1093 39.071,1094 39.089,1095 47.75,1096 6.422,1097 101.023,1098 36.638,1099 5.04,1100 5.064,1101 5.279,1102 4.766,1103 4.756,1104 6.696,1105 2.302,1106 13.633,1107 4.57,1108 14.217,1109 1.392,1110 1.418,1111 1.46,1112 1.395,1113 1.396,1114 1.705,1115 0.229,1116 3.608,1117 1.309,1118 3.944,1119 3.986,1120 3.887,1121 3.826,1122 5.022,1123 3.833,1124 3.856,1125 3.894,1126 3.796,1127 3.713,1128 4.889,1129 3.727,1130 3.769,1131 3.84,1132 3.64,1133 3.593,1134 4.524,1135 3.597,1136 3.597,1137 3.674,1138 3.443,1139 3.422,1140 4.354,1141 3.415,1142 3.306,1143 3.407,1144 3.159,1145 3.123,1146 4.254,1147 3.089,1148 3.3,1149 3.368,1150 3.04,1151 3.09,1152 4.163,1153 3.086,1154 3.249,1155 3.323,1156 3.04,1157 3.025,1158 3.92,1159 3.02,1160 3.173,1161 3.237,1162 2.982,1163 2.951,1164 3.892,1165 2.952,1166 0.147,1167 0.109,1168 0.202,1169 0.132,1170 0.098,1171 4.104,1172 0.132,1173 3.064,1174 0.041,1175 5.661,1176 0.283,1177 3.689,1178 0.092,1179 2.756,1180 3.696,1181 1.151,1182 7.927,1183 2.57,1184 1.872,1185 1.853,1186 2.022,1187 2.026,1188 1.34,1189 2.02,1190 1.814,1191 1.757,1192 1.978,1193 1.978,1194 1.125,1195 1.981,1196 1.728,1197 1.665,1198 1.91,1199 1.93,1200 1.048,1201 1.927,1202 1.592,1203 1.517,1204 1.819,1205 1.795,1206 0.899,1207 1.815,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.206,1216 1.636,1217 1.535,1218 0.824,1219 1.567,1220 1.211,1221 1.151,1222 1.571,1223 1.51,1224 0.596,1225 1.534,1226 1.154,1227 1.087,1228 1.437,1229 1.393,1230 0.569,1231 1.411,1232 4.043,1233 5.283,1235 6.708,1237 8.212,1239 9.755,1241 8.25,1247 5.964,1248 3.463,1249 10.979,1251 0.364,1252 2.45,1257 33.89,1258 84.837,1259 186.35,1260 268.672,1261 298.056,1262 300.056,1263 302.056,1264 48.052,1265 6.779,1266 59.51,1267 59.51,1268 12,1269 11.908,1270 3.7,1271 2.807,1272 58.758,1273 126,1274 116,1275 0.222,1276 215.028,1277 371.08,1278 516.429,1279 8164,1281 19.485,1282 0.722,1283 0.627,1284 19.485,1285 16.942,1286 13.139,1287 0.469,1288 0.347,1289 9.562,1290 12.528,1291 9.214,1292 7.783,1293 13.139,1294 9.718,1295 10.737,1296 0.307,1297 0.187,1298 10.737,1299 6.54,1300 8.543,1301 0.208,1302 0.11,1303 8.543,1304 4.515,1305 6.524,1306 0.139,1307 0.061,1308 6.524,1309 2.873,1310 4.712,1311 0.089,1312 0.031,1313 4.712,1314 1.618,1315 0.363,1316 82.74,1317 0.233,1318 26.829,1319 0.57,1320 126,1321 354.739,1322 140.442,1323 335.174,1324 459.1,1325 318,1326 139,1327 334.366,1328 153.083,1329 336.579,1330 482.33,1331 315,1332 4.523}
{0 CHEMBL194775,1 1.581,2 13.111,3 5.672,4 32.174,5 115.304,6 7.48,7 0.429,8 4.063,9 4.197,10 3.623,11 3.57,12 5.064,13 3.519,14 4.622,15 4.834,16 3.962,17 3.924,18 5.586,19 3.837,20 4.859,21 5.105,22 4.023,23 4.066,24 5.728,25 3.943,26 4.921,27 5.173,28 4.041,29 4.06,30 5.824,31 3.902,32 4.932,33 5.233,34 3.718,35 3.986,36 5.673,37 3.817,38 4.832,39 5.115,40 3.827,41 3.934,42 5.677,43 3.794,44 4.735,45 4.99,46 3.755,47 3.9,48 5.607,49 3.761,50 4.741,51 5.02,52 3.751,53 3.83,54 5.609,55 3.672,56 0.019,57 0.765,58 12.05,59 4.975,60 7.799,61 7.041,62 0.301,63 1.156,64 24.641,65 8.187,66 28.805,67 11.692,68 0.32,69 1.321,70 35.654,71 10.289,72 32.569,73 14.84,74 0.568,75 1.338,76 43.494,77 11.534,78 51.692,79 16.305,80 0.391,81 1.356,82 36.456,83 11.011,84 37.909,85 16.337,86 0.437,87 1.251,88 34.976,89 9.756,90 42.375,91 14.546,92 0.34,93 1.183,94 29.354,95 9.109,96 34.172,97 13.158,98 0.372,99 1.126,100 31.791,101 8.797,102 39.449,103 13.325,104 36,105 36,106 0.265,107 0.558,108 0.763,109 0.848,110 0.848,111 0.848,112 3.338,113 1.088,114 -5.91,115 -5.77,116 -5.37,119 36.4,120 3,121 2,125 4,127 1,138 4,139 1,140 2,141 1,143 1,146 1,163 3,165 2,166 7,169 2,171 2,172 8,176 2,181 1,183 4,186 1,187 8,190 1,192 1,194 7,198 4,201 1,205 3,209 7,214 1,217 5,220 2,221 2,226 3,227 3,231 4,236 3,238 3,241 1,242 5,249 3,252 1261,253 18.102,254 18.102,255 18.102,256 18.102,257 18.102,258 16.549,259 26.986,260 10.889,261 18.856,262 13.682,263 13.682,264 13.682,265 13.682,266 13.682,267 11.4,268 38.14,269 5.032,270 14.931,271 4.201,272 2.459,273 1.237,274 0.732,275 0.732,276 0.732,277 4.005,279 2,283 1,284 718,285 4.062,288 206.275,295 2.263,296 21.284,299 0.75,300 0.67,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.8,307 57.667,308 354,309 4.234,310 3.289,311 6.06,312 3.792,313 2.864,314 3.881,315 1.151,316 8.714,317 2.628,318 4.077,319 2.967,320 5.645,321 3.639,322 2.724,323 3.673,324 0.8,325 7.884,326 2.493,327 3.524,328 2.789,329 5.276,330 3.387,331 2.461,332 2.79,333 0.4,334 6.667,335 2.28,336 3.459,337 2.755,338 5.172,339 3.261,340 2.332,341 2.665,343 6.48,344 2.163,345 3.413,346 2.615,347 4.956,348 3.003,349 2.119,350 2.45,352 5.805,353 1.805,354 3.105,355 2.16,356 4.701,357 2.806,358 1.894,359 2.172,361 5.167,362 1.703,363 2.847,364 1.951,365 4.17,366 2.372,367 1.473,368 1.977,370 3.764,371 1.246,372 2.67,373 1.334,374 3.514,375 2.177,376 1.232,377 1.744,379 2.684,380 1.158,381 2.138,382 1.178,383 3.362,384 2.073,385 1.101,386 1.133,388 2.322,389 1.067,390 1.964,391 1.082,392 3.237,393 1.63,394 0.747,395 0.882,397 1.734,398 0.635,399 1.618,400 0.744,401 2.766,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.264,409 0.533,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 1.204,418 0.294,419 2.546,420 0.843,426 0.963,427 0.256,428 2.359,429 0.734,430 -0.206,431 -0.231,433 -0.452,434 -0.194,435 0.798,436 -0.076,437 2.208,438 0.381,439 -0.514,440 -0.612,442 -1.095,443 -0.293,444 13.362,445 0.495,446 0.574,447 0.021,448 30.25,449 1.12,450 13,451 0.481,452 17.25,453 0.639,454 26.968,455 0.999,456 31.038,457 0.564,458 19.857,459 0.735,460 5.646,461 0.209,462 7.366,463 0.273,464 0.219,466 0.254,472 0.785,473 1.619,474 0.655,475 1.146,476 0.734,477 1.08,478 0.925,479 1.096,480 0.697,481 0.884,482 0.608,483 0.924,484 1.159,485 1.033,486 0.915,487 0.9,488 0.932,489 0.919,490 0.895,491 1.086,492 0.898,493 1.063,494 0.845,495 1.063,496 0.819,497 0.861,498 0.612,499 0.755,500 0.794,501 0.817,502 0.789,503 0.93,504 0.693,505 0.827,506 0.717,507 0.826,508 1.058,509 1.038,510 0.776,511 0.903,512 0.953,513 0.979,514 0.74,515 1.133,516 0.721,517 0.963,518 0.727,519 0.96,520 6,521 0.132,522 2.444,523 1.563,524 0.996,525 0.688,526 0.386,527 0.333,528 0.221,529 0.22,530 9320,531 24866,532 1.954,533 50.9,535 13,537 1,538 1,540 13,542 1.696,543 1.82,544 3.663,545 -0.309,550 86.93,551 1.581,552 3.323,553 4.544,554 5.049,555 5.049,556 5.049,557 3.134,558 4.533,559 4.724,560 3.867,561 1357.38,562 8.174,563 18948.3,568 317.975,569 1.427,570 4.677,571 0.214,572 0.006,573 0.068,574 0.043,575 0.032,576 0.025,577 0.013,578 0.012,579 0.009,580 0.01,581 0.432,582 0.33,583 0.75,584 1.961,585 138.36,586 -0.014,587 -0.299,588 0.021,589 -0.115,590 -0.035,591 -0.05,592 0.09,593 0.059,594 0.071,595 0.06,596 0.225,597 0.036,598 -0.122,599 0.017,600 0.006,601 0.052,602 -0.005,603 0.041,604 0.162,605 -0.103,606 0.05,607 -0.096,608 0.159,609 -0.093,610 -0.013,611 0.087,612 0.086,613 0.13,614 -0.02,615 0.122,616 0.092,617 0.049,618 0.106,619 0.082,620 0.141,621 0.121,622 -0.074,624 -0.015,625 0.015,626 -0.058,627 -0.033,628 0.12,629 -0.151,630 0.097,631 -0.047,632 0.128,633 -0.009,634 1.175,635 2.251,636 0.444,637 30.856,638 0.998,639 1.136,640 4.68,641 21.905,642 0.656,643 3.367,644 3.611,645 3.761,646 3.892,647 4.007,648 3.989,649 3.951,650 4.043,651 4.094,652 4.159,653 7.751,654 0.606,655 411.42,656 3.367,657 4.86,658 5.652,659 6.479,660 7.284,661 8.114,662 8.925,663 9.758,664 10.572,665 11.407,666 7.3,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 55,705 12,706 1,707 28,709 56,710 20,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 10,730 10,747 28,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 1,812 1,814 1,815 1,824 2,825 1.8,830 1,832 14.833,833 10.552,834 6.278,835 3.685,836 2.212,837 1.326,838 0.922,839 9.456,840 8.992,841 3.555,842 4.043,843 4.472,844 4.913,845 5.36,846 5.329,847 5.371,848 5.704,849 6.024,850 6.354,851 0.889,852 36,853 9.951,854 3.927,855 7.607,856 19.31,857 14.913,859 2.107,860 56.889,864 317.82,865 106.307,866 54.706,867 78.297,868 11,871 106.307,872 407.117,873 54.706,874 26.476,875 15.979,876 37.905,877 63.353,878 33.358,879 6.714,880 306.049,881 78.297,882 317.82,883 161.013,884 11,885 78.297,887 164.795,888 164.024,891 56.525,892 52.906,893 129.879,895 317.82,896 65.706,897 184.604,900 317.82,901 32.879,902 76.552,903 18.011,904 122.868,905 317.82,906 65.706,907 184.604,909 0.562,910 0.318,911 0.156,912 0.075,913 13,914 7,915 0.196,916 11,918 1,919 3.971,920 200.156,922 12,923 124.382,928 22.06,929 11.574,930 7.724,932 65.706,933 8.771,934 8.709,938 3.127,940 18.011,941 568.13,942 34,952 54.869,953 62.488,954 0.273,955 0.575,956 0.786,957 0.873,958 0.873,959 0.873,960 4.754,961 1.232,962 5.602,963 3.764,964 4.29,965 4.727,966 1.595,967 6.297,968 4.116,969 5.904,970 1.101,971 7.096,972 2.684,973 3.761,974 4.388,975 0.325,976 6.969,977 3.41,978 7.164,979 0.747,980 8.68,981 2.322,982 5.784,983 6.774,984 1.613,985 9.951,986 5.45,987 8.454,988 0.618,989 10.314,990 1.734,991 6.019,992 7.203,993 0.268,994 11.383,995 5.509,996 9.772,997 0.155,998 11.979,999 0.791,1000 7.503,1001 9.105,1002 1.779,1003 13.87,1004 7.006,1005 11.11,1007 13.666,1008 0.276,1009 8.107,1010 9.915,1011 0.188,1012 15.647,1013 7.448,1014 12.463,1015 -0.206,1016 15.367,1018 9.351,1019 11.589,1020 1.991,1021 17.941,1022 8.685,1023 2.864,1024 -0.514,1025 17.08,1026 -0.452,1027 10.15,1028 12.612,1029 0.125,1030 19.893,1031 9.338,1032 2.724,1033 8.714,1034 18.803,1035 -1.095,1036 11.279,1037 14.157,1038 2.225,1039 22.103,1040 10.439,1041 2.461,1042 7.884,1043 20.534,1044 3.881,1045 12.184,1046 15.305,1047 0.082,1048 24.147,1049 11.213,1050 2.332,1051 6.667,1052 22.272,1053 3.673,1054 13.258,1055 16.772,1056 2.473,1057 26.322,1058 12.242,1059 2.119,1060 6.48,1061 24.016,1062 2.79,1063 14.22,1064 17.995,1065 0.054,1066 28.415,1067 13.086,1068 1.894,1069 5.805,1070 25.766,1071 2.665,1072 15.269,1073 19.414,1074 2.73,1075 30.574,1076 14.076,1077 1.473,1078 5.167,1079 27.52,1080 2.45,1081 16.263,1082 20.683,1083 0.035,1084 32.694,1085 14.962,1086 9456,1087 15876,1088 18.087,1089 36.091,1090 39.483,1091 40.395,1092 41.243,1093 39.843,1094 39.438,1095 48.289,1096 4.702,1097 104.579,1098 35.855,1099 5.169,1100 5.289,1101 5.678,1102 4.878,1103 4.864,1104 6.881,1105 2.302,1106 14.956,1107 4.628,1108 15.748,1109 1.41,1110 1.443,1111 1.473,1112 1.423,1113 1.408,1114 1.725,1115 0.168,1116 3.735,1117 1.281,1118 3.949,1119 3.981,1120 4.094,1121 3.884,1122 5.073,1123 3.875,1124 3.854,1125 3.9,1126 3.826,1127 3.692,1128 4.993,1129 3.707,1130 3.764,1131 3.832,1132 3.641,1133 3.585,1134 4.633,1135 3.593,1136 3.597,1137 3.67,1138 3.593,1139 3.425,1140 4.446,1141 3.418,1142 3.306,1143 3.407,1144 3.444,1145 3.123,1146 4.336,1147 3.089,1148 3.272,1149 3.358,1150 3.205,1151 3.086,1152 4.196,1153 3.073,1154 3.207,1155 3.253,1156 3.04,1157 3.051,1158 4.05,1159 3.034,1160 2.88,1161 2.974,1162 3.037,1163 2.796,1164 3.892,1165 2.769,1166 0.151,1167 0.117,1168 0.216,1169 0.135,1170 0.102,1171 4.234,1172 0.139,1173 3.289,1174 0.041,1175 6.06,1176 0.311,1177 3.792,1178 0.094,1179 2.864,1180 3.881,1181 1.151,1182 8.714,1183 2.628,1184 1.895,1185 1.881,1186 2.018,1187 2.016,1188 1.339,1189 2.012,1190 1.799,1191 1.738,1192 1.961,1193 1.965,1194 1.134,1195 1.977,1196 1.711,1197 1.654,1198 1.9,1199 1.914,1200 1.123,1201 1.912,1202 1.592,1203 1.52,1204 1.786,1205 1.789,1206 0.869,1207 1.806,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.859,1213 1.638,1214 1.289,1215 1.2,1216 1.636,1217 1.52,1218 0.752,1219 1.564,1220 1.159,1221 1.117,1222 1.393,1223 1.385,1224 0.572,1225 1.393,1226 0.868,1227 0.824,1228 1.264,1229 1.148,1230 0.437,1231 1.192,1232 4.043,1233 5.303,1235 6.744,1237 8.266,1239 9.829,1241 6.538,1242 12.091,1247 5.833,1248 3.345,1249 5.751,1251 0.293,1252 2.43,1257 33.304,1258 86.93,1259 182.748,1260 249.936,1261 277.71,1262 277.71,1263 277.71,1264 53.431,1265 6.78,1266 50.28,1267 50.28,1268 12,1269 11.981,1270 3.7,1271 2.807,1272 58.776,1273 125,1274 116,1275 0.224,1276 218.105,1277 375.41,1278 523.937,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.656,1284 20.648,1285 17.724,1286 13.012,1287 0.465,1288 0.363,1289 9.346,1290 11.962,1291 8.971,1292 7.52,1293 13.589,1294 10.156,1295 11.086,1296 0.308,1297 0.203,1298 11.865,1299 7.301,1300 8.646,1301 0.206,1302 0.119,1303 9.262,1304 4.989,1305 6.624,1306 0.138,1307 0.067,1308 7.32,1309 3.199,1310 4.627,1311 0.086,1312 0.033,1313 4.985,1314 1.773,1315 0.366,1316 87.212,1317 0.235,1318 26.776,1319 0.578,1320 128,1321 367.411,1322 170.769,1323 413.266,1324 542.27,1325 386,1326 142,1327 348.546,1328 174.784,1329 370.749,1330 536.78,1331 348,1332 5.824}
{0 CHEMBL194930,1 1.262,2 12.172,3 5.703,4 32.526,5 122.197,6 6.2,7 0.548,8 4.184,9 4.331,10 3.594,11 3.724,12 5.122,13 3.656,14 4.747,15 4.968,16 3.888,17 4.091,18 5.596,19 3.988,20 5.02,21 5.289,22 3.933,23 4.23,24 5.789,25 4.098,26 5.067,27 5.341,28 3.874,29 4.246,30 5.82,31 4.085,32 5.121,33 5.417,34 3.842,35 4.245,36 5.833,37 4.073,38 5.074,39 5.364,40 3.849,41 4.229,42 5.796,43 4.067,44 5.041,45 5.313,46 3.819,47 4.234,48 5.805,49 4.067,50 5.071,51 5.369,52 3.73,53 4.202,54 5.773,55 4.013,56 0.077,57 0.907,58 15.158,59 5.966,60 10.971,61 8.852,62 0.231,63 1.456,64 26.658,65 9.609,66 22.772,67 14.585,68 0.285,69 1.777,70 34.807,71 11.61,72 29.393,73 18.237,74 0.288,75 1.822,76 36.22,77 12.792,78 32.48,79 19.664,80 0.316,81 1.853,82 38.007,83 13.29,84 34.876,85 20.495,86 0.272,87 1.789,88 36.268,89 12.772,90 31.733,91 19.698,92 0.282,93 1.769,94 35.223,95 12.734,96 33.538,97 19.385,98 0.249,99 1.734,100 35.828,101 13.25,102 32.118,103 20.096,104 20,105 40,106 0.204,107 0.497,108 0.692,109 0.811,110 0.835,111 0.835,112 3.408,113 1.062,114 -6.36,115 -6.19,116 -5.75,119 39.7,120 3,121 4,125 3,127 1,138 9,139 2,142 1,143 1,145 1,163 13,165 1,166 8,169 1,171 3,172 14,176 6,181 2,183 10,187 7,190 1,192 3,194 10,198 7,201 1,203 2,205 10,209 6,214 1,217 12,220 1,221 4,226 4,227 16,231 1,236 2,238 13,241 1,242 5,247 1,249 15,252 1631,253 20.016,254 20.016,255 20.016,256 20.016,257 20.016,258 18.005,259 23.293,260 12.229,261 20.382,262 15.219,263 15.219,264 15.219,265 15.219,266 15.219,267 12.242,268 31.412,269 5.704,270 15.749,271 4.715,272 2.899,273 1.685,274 0.95,275 0.798,276 0.798,277 4.094,283 1,284 737,285 4.062,288 257.052,292 139.199,295 2.064,296 13.86,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 60,308 353,309 4.536,310 3.166,311 6.544,312 4.054,313 3.09,314 4.473,315 0.8,316 10.378,317 2.98,318 3.906,319 2.787,320 5.402,321 3.54,322 2.544,323 3.449,324 0.4,325 7.121,326 2.535,327 3.632,328 2.762,329 5.35,330 3.413,331 2.473,332 3.061,334 6.826,335 2.335,336 3.577,337 2.539,338 5.269,339 3.299,340 2.361,341 2.901,343 6.63,344 2.201,345 3.445,346 2.409,347 5.224,348 3.198,349 2.239,350 2.457,352 6.595,353 2.142,354 3.171,355 1.982,356 4.861,357 2.888,358 1.927,359 2.23,361 5.444,362 1.849,363 2.937,364 1.583,365 3.887,366 2.505,367 1.509,368 2.122,370 3.24,371 1.502,372 2.882,373 1.425,374 3.624,375 2.393,376 1.402,377 2.058,379 3.057,380 1.388,381 2.5,382 1.256,383 3.6,384 2.161,385 1.18,386 1.5,388 2.737,389 1.156,390 2.473,391 1.052,392 3.354,393 2,394 1,395 1.463,397 2.255,398 1,399 2.127,400 1,401 3.247,402 1.969,403 0.991,404 1.115,406 2.136,407 0.967,408 1.831,409 0.744,410 3.092,411 1.591,412 0.618,413 0.716,415 1.408,416 0.6,417 1.618,418 0.658,419 2.853,420 1.584,421 0.601,422 0.618,424 0.791,425 0.59,426 1.312,427 0.287,428 2.618,429 1.121,430 0.158,431 0.166,433 0.294,434 0.152,435 1.1,436 0.006,437 2.543,438 0.853,439 -0.098,440 -0.118,442 -0.22,443 -0.093,444 14.1,445 0.486,446 0.482,447 0.017,448 34.25,449 1.181,450 16.5,451 0.569,452 17.75,453 0.612,454 28.4,455 0.979,456 32.1,457 0.51,458 22.975,459 0.792,460 6.319,461 0.218,462 7.871,463 0.271,464 0.106,466 0.241,472 0.983,473 1.43,474 0.999,475 1.207,476 0.996,477 1.122,478 1.123,479 1.193,480 1.019,481 1.078,482 0.79,483 1.047,484 1.523,485 1.016,486 1.021,487 0.904,488 1.121,489 0.921,490 1.183,491 1.118,492 1.063,493 1.061,494 1.098,495 1.055,496 1.179,497 0.943,498 0.97,499 0.91,500 1.096,501 0.922,502 1.201,503 0.964,504 0.957,505 0.904,506 1.041,507 0.911,508 1.202,509 1.048,510 1.109,511 1.059,512 1.193,513 1.074,514 0.997,515 0.954,516 0.97,517 0.956,518 1.014,519 0.96,520 5,521 0.149,522 2.222,523 1.438,524 1.178,525 0.75,526 0.488,527 0.363,528 0.218,529 0.223,530 10987,531 20393,532 2.053,533 54,534 2,535 16,538 1,539 2,540 13,542 1.721,543 1.955,544 3.559,545 -0.439,550 79.498,551 1.262,552 3.079,553 4.292,554 5.027,555 5.179,556 5.179,557 3.047,558 4.375,559 4.823,560 3.762,561 1527.2,562 8.414,563 21623.6,568 376.569,569 1.233,570 4.804,571 0.161,572 0.005,573 0.056,574 0.035,575 0.032,576 0.021,577 0.013,578 0.01,579 0.007,580 0.007,581 0.347,582 0.33,583 0.75,584 1.777,585 149.441,586 0.061,587 -0.177,588 0.056,589 -0.056,590 0.004,591 -0.01,592 0.154,593 -0.052,594 0.022,595 -0.043,596 0.207,597 -0.024,598 -0.127,599 0.048,600 0.009,601 0.058,602 -0.016,603 0.046,604 -0.004,605 -0.089,606 -0.056,607 -0.084,608 0.003,609 -0.076,610 -0.007,611 0.043,612 0.026,613 0.042,614 -0.003,615 0.037,616 -0.056,617 0.032,618 0.041,619 0.059,620 0.027,621 0.058,622 -0.07,623 -0.018,624 -0.106,625 -0.073,626 -0.064,627 -0.089,628 -0.041,629 0.005,630 0.006,631 0.017,632 -0.057,633 0.015,634 0.953,635 1.899,636 0.552,637 33.853,638 0.979,639 1.13,640 5.126,641 26.278,642 0.642,643 3.466,644 3.714,645 3.932,646 4.143,647 4.357,648 4.394,649 4.5,650 4.615,651 4.736,652 4.718,653 7.309,654 0.587,655 390.63,656 3.466,657 4.963,658 5.778,659 6.619,660 7.453,661 8.305,662 9.15,663 10.01,664 10.863,665 11.729,666 6.3,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 63,705 17,706 2,707 31,709 65,710 25,711 14,712 3,713 9,717 3,718 4,721 3,727 5,729 14,730 11,747 34,748 4,749 1,750 4,755 4,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,805 29,810 7,811 1,814 1,815 1,832 14.833,833 11.933,834 6.722,835 4.382,836 3.207,837 1.439,838 0.956,839 8.158,840 10.511,841 3.701,842 4.234,843 4.785,844 5.357,845 5.93,846 6.136,847 6.502,848 6.892,849 7.283,850 7.315,851 1,852 41,853 10.744,854 4.307,855 7.385,856 21.434,857 17.189,859 1.885,860 54.667,864 388.446,865 140.776,866 54.706,871 140.776,872 388.446,873 54.706,874 26.476,875 16.455,876 85.286,877 51.582,878 13.355,879 2.328,880 388.446,882 388.446,883 195.482,887 237.75,888 153.024,891 48.199,892 93.373,893 51.582,895 388.446,896 54.706,897 140.776,900 388.446,901 29.014,902 114.886,903 18.011,904 33.571,905 388.446,906 54.706,907 140.776,909 0.556,910 0.322,911 0.169,912 0.089,913 16,914 7,915 0.169,916 11,917 1,918 1.125,919 4.152,920 236.396,921 0.125,922 16,923 132.881,928 21.424,929 11.042,930 6.352,931 2.12,932 54.706,933 18.864,934 9.707,938 3.197,940 18.011,941 583.928,942 39.5,952 61.661,953 71.221,954 0.211,955 0.515,956 0.718,957 0.841,958 0.867,959 0.867,960 4.892,961 1.402,962 5.714,963 3.24,964 4.394,965 4.92,966 0.824,967 6.441,968 4.328,969 6.048,970 1.18,971 7.215,972 3.057,973 3.761,974 4.543,975 0.325,976 7.182,977 3.635,978 7.315,979 1,980 8.814,981 2.737,982 5.9,983 7.074,984 0.413,985 10.259,986 5.759,987 8.62,988 0.991,989 10.476,990 2.255,991 6.111,992 7.601,993 0.268,994 11.877,995 5.911,996 9.961,997 0.618,998 12.179,999 2.136,1000 7.665,1001 9.575,1002 0.246,1003 14.466,1004 7.454,1005 11.33,1006 0.601,1007 13.912,1008 1.408,1009 8.302,1010 10.577,1011 0.188,1012 16.482,1013 8.038,1014 12.72,1015 0.158,1016 15.668,1017 0.791,1018 9.597,1019 12.294,1020 0.157,1021 18.91,1022 9.317,1023 3.09,1024 -0.098,1025 17.443,1026 0.294,1027 10.463,1028 13.546,1029 0.125,1030 21.109,1031 10.136,1032 2.544,1033 10.378,1034 19.233,1035 -0.22,1036 11.644,1037 15.141,1038 0.102,1039 23.481,1040 11.295,1041 2.473,1042 7.121,1043 21.036,1044 4.473,1045 12.632,1046 16.521,1047 0.082,1048 25.761,1049 12.24,1050 2.361,1051 6.826,1052 22.852,1053 3.449,1054 13.767,1055 18.06,1056 0.067,1057 28.113,1058 13.348,1059 2.239,1060 6.63,1061 24.677,1062 3.061,1063 14.82,1064 19.502,1065 0.054,1066 30.427,1067 14.36,1068 1.927,1069 6.595,1070 26.51,1071 2.901,1072 15.94,1073 21.017,1074 0.043,1075 32.772,1076 15.449,1077 1.509,1078 5.444,1079 28.351,1080 2.457,1081 17.026,1082 22.487,1083 0.035,1084 35.101,1085 16.497,1086 10812,1087 14931,1088 20.86,1089 40.444,1090 44.217,1091 44.266,1092 45.593,1093 44.247,1094 44.19,1095 56.655,1096 2.4,1097 117.826,1098 42.794,1099 5.474,1100 5.166,1101 6.345,1102 5.128,1103 5.09,1104 7.473,1105 1.2,1106 17.354,1107 4.98,1108 12.651,1109 1.426,1110 1.428,1111 1.471,1112 1.427,1113 1.425,1114 1.828,1115 0.077,1116 3.801,1117 1.38,1118 4.079,1119 4.116,1120 4.041,1121 3.985,1122 5.05,1123 3.993,1124 3.905,1125 3.937,1126 3.83,1127 3.851,1128 4.748,1129 3.842,1130 3.797,1131 3.871,1132 3.656,1133 3.636,1134 4.474,1135 3.63,1136 3.625,1137 3.703,1138 3.482,1139 3.446,1140 4.352,1141 3.443,1142 3.517,1143 3.575,1144 3.406,1145 3.387,1146 4.253,1147 3.383,1148 3.306,1149 3.407,1150 3.119,1151 3.125,1152 3.959,1153 3.114,1154 3.291,1155 3.378,1156 3.04,1157 3.123,1158 3.892,1159 3.089,1160 3.174,1161 3.25,1162 2.989,1163 3.02,1164 3.841,1165 3.002,1166 0.146,1167 0.102,1168 0.211,1169 0.131,1170 0.1,1171 4.536,1172 0.144,1173 3.166,1174 0.026,1175 6.544,1176 0.335,1177 4.054,1178 0.096,1179 3.09,1180 4.473,1181 0.8,1182 10.378,1183 2.98,1184 2.021,1185 1.991,1186 2.103,1187 2.134,1188 1.343,1189 2.125,1190 1.914,1191 1.884,1192 2.044,1193 1.995,1194 1.259,1195 2.014,1196 1.773,1197 1.705,1198 2.005,1199 1.968,1200 1.163,1201 1.984,1202 1.616,1203 1.539,1204 1.886,1205 1.826,1206 1.11,1207 1.851,1208 1.513,1209 1.457,1210 1.727,1211 1.671,1212 0.901,1213 1.692,1214 1.351,1215 1.256,1216 1.725,1217 1.584,1218 0.869,1219 1.638,1220 1.306,1221 1.224,1222 1.643,1223 1.532,1224 0.848,1225 1.574,1226 1.176,1227 1.109,1228 1.381,1229 1.371,1230 0.444,1231 1.388,1232 4.143,1233 5.407,1235 6.87,1237 8.427,1239 10.037,1241 6.715,1247 7.539,1248 3.664,1251 0.38,1252 2.481,1257 36.988,1258 79.498,1259 193.961,1260 270.391,1261 316.694,1262 326.304,1263 326.304,1264 45.852,1265 7.304,1266 41.05,1267 41.05,1268 18,1269 12.278,1270 4.17,1271 3.248,1272 52.379,1273 121,1274 132,1275 0.201,1276 232.157,1277 394.16,1278 558.223,1279 15043,1281 20.476,1282 0.706,1283 0.623,1284 20.476,1285 18.065,1286 14.19,1287 0.458,1288 0.354,1289 10.897,1290 13.878,1291 10.538,1292 8.854,1293 14.19,1294 10.977,1295 11.842,1296 0.296,1297 0.193,1298 11.842,1299 7.706,1300 9.723,1301 0.194,1302 0.11,1303 9.723,1304 5.519,1305 7.817,1306 0.126,1307 0.06,1308 7.817,1309 3.714,1310 6.118,1311 0.079,1312 0.03,1313 6.118,1314 2.345,1315 0.319,1316 86.978,1317 0.219,1318 27.967,1319 0.539,1320 142,1321 305.268,1322 150.354,1323 307.538,1324 436.11,1325 292,1326 161,1327 331.718,1328 169.493,1329 339.199,1330 492.64,1331 322,1332 5.62}
{0 CHEMBL195061,1 1.373,2 12.172,3 5.261,4 27.677,5 118.986,6 6.436,7 0.548,8 4.165,9 4.304,10 3.607,11 3.678,12 5.142,13 3.627,14 4.72,15 4.932,16 3.902,17 4.027,18 5.625,19 3.948,20 4.971,21 5.229,22 3.952,23 4.153,24 5.815,25 4.047,26 5.002,27 5.262,28 3.88,29 4.17,30 5.792,31 4.031,32 5.072,33 5.361,34 3.854,35 4.179,36 5.832,37 4.026,38 5.035,39 5.317,40 3.86,41 4.164,42 5.797,43 4.022,44 4.993,45 5.254,46 3.831,47 4.156,48 5.812,49 4.015,50 5.015,51 5.3,52 3.729,53 4.125,54 5.767,55 3.962,56 0.065,57 0.877,58 14.466,59 5.66,60 10.301,61 8.229,62 0.251,63 1.381,64 25.924,65 8.894,66 25.548,67 13.312,68 0.431,69 1.649,70 33.706,71 10.553,72 37.625,73 16.456,74 0.289,75 1.675,76 34.228,77 11.848,78 31.732,79 17.954,80 0.398,81 1.735,82 36.932,83 12.277,84 38.824,85 18.952,86 0.304,87 1.677,88 35.455,89 11.972,90 34.907,91 18.346,92 0.331,93 1.647,94 34.106,95 11.577,96 37.152,97 17.521,98 0.336,99 1.6,100 34.788,101 11.943,102 36.532,103 18.043,104 20,105 40,106 0.223,107 0.514,108 0.696,109 0.809,110 0.834,111 0.834,112 3.408,113 1.027,114 -5.63,115 -5.5,116 -5.13,119 39.3,120 3,121 2,125 4,127 1,138 9,139 1,140 1,142 1,143 1,145 1,163 9,165 1,166 8,169 1,171 3,172 9,175 2,176 6,181 2,183 5,187 6,190 1,192 2,194 5,198 9,201 2,203 1,205 5,209 8,217 5,220 1,221 7,226 4,227 10,231 2,236 2,238 9,241 1,242 4,247 1,249 14,252 1631,253 20.016,254 20.016,255 20.016,256 20.016,257 20.016,258 18.005,259 25.129,260 12.229,261 20.503,262 15.219,263 15.219,264 15.219,265 15.219,266 15.219,267 12.242,268 37.783,269 5.704,270 15.953,271 4.558,272 2.765,273 1.642,274 0.949,275 0.791,276 0.791,277 4.094,282 1,283 1,284 737,285 4.062,288 257.052,292 139.199,295 2.064,296 16.37,299 0.75,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.82,307 61,308 353,309 4.536,310 3.184,311 6.544,312 4.053,313 3.09,314 4.473,315 1.151,316 10.378,317 2.978,318 3.906,319 2.916,320 5.402,321 3.486,322 2.544,323 3.449,324 0.8,325 7.121,326 2.393,327 3.632,328 2.785,329 5.35,330 3.412,331 2.473,332 3.061,333 0.4,334 6.826,335 2.335,336 3.577,337 2.545,338 5.269,339 3.299,340 2.361,341 2.901,343 6.63,344 2.201,345 3.445,346 2.432,347 5.224,348 3.191,349 2.239,350 2.457,352 6.595,353 2.121,354 3.171,355 1.983,356 4.861,357 2.888,358 1.927,359 2.23,361 5.444,362 1.849,363 2.937,364 1.663,365 3.887,366 2.475,367 1.509,368 2.122,370 3.24,371 1.451,372 2.882,373 1.43,374 3.624,375 2.39,376 1.402,377 2.058,379 3.057,380 1.382,381 2.5,382 1.258,383 3.6,384 2.161,385 1.18,386 1.5,388 2.737,389 1.155,390 2.473,391 1.104,392 3.354,393 2,394 1,395 1.463,397 2.255,398 1,399 2.127,400 1,401 3.247,402 1.964,403 0.991,404 1.115,406 2.136,407 0.962,408 1.831,409 0.919,410 3.092,411 1.591,412 0.618,413 0.716,415 1.408,416 0.6,417 1.618,418 0.744,419 2.853,420 1.494,421 0.601,422 0.618,424 0.791,425 0.532,426 1.312,427 0.288,428 2.618,429 1.121,430 0.158,431 0.166,433 0.294,434 0.152,435 1.1,436 0.016,437 2.543,438 0.848,439 -0.098,440 -0.118,442 -0.22,443 -0.092,444 13.933,445 0.48,446 0.482,447 0.017,448 35.25,449 1.216,450 17,451 0.586,452 18.25,453 0.629,454 26.981,455 0.93,456 32.267,457 0.529,458 24.394,459 0.841,460 6.716,461 0.232,462 7.474,463 0.258,464 0.108,466 0.244,472 0.933,473 1.474,474 0.945,475 1.241,476 0.964,477 1.116,478 1.235,479 1.197,480 0.997,481 1.066,482 0.882,483 1.017,484 1.312,485 0.964,486 1.003,487 0.871,488 1.013,489 0.892,490 1.033,491 1.162,492 1.018,493 1.096,494 0.938,495 1.061,496 0.958,497 0.923,498 0.94,499 0.899,500 0.981,501 0.908,502 1.073,503 0.974,504 0.917,505 0.905,506 0.982,507 0.893,508 1.257,509 1.044,510 1.106,511 1.044,512 1.211,513 1.056,514 1.258,515 0.897,516 1.001,517 0.884,518 1.192,519 0.916,520 5,521 0.149,522 2.222,523 1.438,524 1.178,525 0.75,526 0.488,527 0.363,528 0.218,529 0.223,530 10987,531 22077,532 2.053,533 52.5,535 18,538 1,540 13,542 1.721,543 1.955,544 3.559,545 -0.405,550 83.736,551 1.373,552 3.166,553 4.288,554 4.982,555 5.14,556 5.14,557 3.047,558 4.375,559 4.823,560 3.762,561 1527.2,562 8.414,563 21623.6,568 361.775,569 1.233,570 4.804,571 0.161,572 0.005,573 0.056,574 0.035,575 0.032,576 0.021,577 0.013,578 0.01,579 0.007,580 0.007,581 0.347,582 0.33,583 0.75,584 1.777,585 149.441,586 0.032,587 -0.221,588 0.062,589 -0.094,590 -0.022,591 -0.025,592 0.045,593 -0.064,594 0.031,595 -0.044,596 0.17,597 -0.016,598 0.028,599 0.1,600 0.027,601 0.079,602 0.12,603 0.061,604 0.007,605 -0.143,606 -0.025,607 -0.108,608 0.062,609 -0.076,610 0.059,611 0.061,612 0.052,613 0.048,614 0.055,615 0.051,616 -0.033,617 0.008,618 0.075,619 0.057,620 0.054,621 0.076,622 -0.091,623 -0.018,624 -0.101,625 -0.069,626 -0.067,627 -0.082,628 -0.127,629 0.058,630 -0.008,631 0.079,632 -0.144,633 0.05,634 1.153,635 2.359,636 0.552,637 33.853,638 0.985,639 1.131,640 4.399,641 19.35,642 0.642,643 3.466,644 3.714,645 3.932,646 4.143,647 4.357,648 4.394,649 4.5,650 4.615,651 4.736,652 4.718,653 7.309,654 0.593,655 392.6,656 3.466,657 4.963,658 5.778,659 6.619,660 7.453,661 8.305,662 9.15,663 10.01,664 10.863,665 11.729,666 6.6,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,701 1,703 61,705 17,706 2,707 31,709 63,710 24,711 14,712 3,713 9,717 3,718 4,721 3,727 3,729 14,730 10,747 32,748 5,749 1,750 5,755 4,760 0.667,761 1,771 1,776 3,780 1,792 1,796 2,801 3,805 29,810 6,811 1,812 1,814 1,815 1,825 1.6,830 1,832 14.833,833 11.6,834 6.722,835 4.132,836 3.207,837 1.439,838 0.95,839 8.122,840 10.511,841 3.701,842 4.234,843 4.785,844 5.357,845 5.93,846 6.136,847 6.502,848 6.892,849 7.283,850 7.315,851 1,852 41,853 10.726,854 4.298,855 7.454,856 21.152,857 16.74,859 1.954,860 56.667,864 364.904,865 142.357,866 54.706,868 11,871 142.357,872 375.904,873 54.706,874 26.476,875 15.979,876 85.286,877 51.582,878 26.413,879 2.328,880 364.904,882 364.904,883 197.063,884 11,887 214.208,888 164.024,891 47.723,892 95.431,893 51.582,895 364.904,896 65.706,897 142.357,900 364.904,901 30.595,902 114.886,903 18.011,904 44.571,905 364.904,906 65.706,907 142.357,909 0.556,910 0.322,911 0.169,912 0.089,913 16,914 7,915 0.175,916 11,917 1,918 1.125,919 4.152,920 236.396,921 0.125,922 16,923 132.881,928 21.386,929 11.014,930 6.332,931 1.985,932 65.706,933 17.921,934 9.457,938 2.395,940 18.011,941 572.967,942 39.5,952 60.105,953 69.015,954 0.231,955 0.534,956 0.723,957 0.84,958 0.867,959 0.867,960 4.892,961 1.402,962 5.714,963 3.24,964 4.394,965 4.92,966 1.595,967 6.441,968 4.302,969 6.048,970 1.18,971 7.215,972 3.057,973 3.761,974 4.543,975 0.325,976 7.182,977 3.603,978 7.315,979 1,980 8.814,981 2.737,982 5.9,983 7.074,984 1.613,985 10.259,986 5.71,987 8.62,988 0.991,989 10.476,990 2.255,991 6.111,992 7.601,993 0.268,994 11.877,995 5.857,996 9.961,997 0.618,998 12.179,999 2.136,1000 7.665,1001 9.575,1002 1.779,1003 14.466,1004 7.387,1005 11.33,1006 0.601,1007 13.912,1008 1.408,1009 8.302,1010 10.577,1011 0.188,1012 16.482,1013 7.97,1014 12.72,1015 0.158,1016 15.668,1017 0.791,1018 9.597,1019 12.294,1020 1.991,1021 18.91,1022 9.243,1023 3.09,1024 -0.098,1025 17.443,1026 0.294,1027 10.463,1028 13.546,1029 0.125,1030 21.109,1031 10.064,1032 2.544,1033 10.378,1034 19.233,1035 -0.22,1036 11.644,1037 15.141,1038 2.225,1039 23.481,1040 11.221,1041 2.473,1042 7.121,1043 21.036,1044 4.473,1045 12.632,1046 16.521,1047 0.082,1048 25.761,1049 12.17,1050 2.361,1051 6.826,1052 22.852,1053 3.449,1054 13.767,1055 18.06,1056 2.473,1057 28.113,1058 13.279,1059 2.239,1060 6.63,1061 24.677,1062 3.061,1063 14.82,1064 19.502,1065 0.054,1066 30.427,1067 14.297,1068 1.927,1069 6.595,1070 26.51,1071 2.901,1072 15.94,1073 21.017,1074 2.73,1075 32.772,1076 15.388,1077 1.509,1078 5.444,1079 28.351,1080 2.457,1081 17.026,1082 22.487,1083 0.035,1084 35.101,1085 16.44,1086 10812,1087 15591,1088 20.86,1089 39.137,1090 44.217,1091 44.523,1092 45.593,1093 44.225,1094 44.19,1095 56.655,1096 4.702,1097 117.826,1098 42.221,1099 5.474,1100 5.184,1101 6.345,1102 5.129,1103 5.09,1104 7.473,1105 2.302,1106 17.354,1107 4.978,1108 12.651,1109 1.426,1110 1.436,1111 1.471,1112 1.427,1113 1.425,1114 1.828,1115 0.152,1116 3.801,1117 1.362,1118 4.073,1119 4.109,1120 4.039,1121 3.976,1122 5.066,1123 3.986,1124 3.882,1125 3.908,1126 3.813,1127 3.809,1128 4.84,1129 3.805,1130 3.797,1131 3.87,1132 3.656,1133 3.636,1134 4.491,1135 3.63,1136 3.625,1137 3.703,1138 3.481,1139 3.444,1140 4.368,1141 3.441,1142 3.482,1143 3.534,1144 3.388,1145 3.316,1146 4.289,1147 3.329,1148 3.306,1149 3.407,1150 3.09,1151 3.123,1152 4.181,1153 3.089,1154 3.275,1155 3.365,1156 3.04,1157 3.089,1158 3.954,1159 3.074,1160 3.103,1161 3.163,1162 2.946,1163 2.935,1164 3.892,1165 2.931,1166 0.146,1167 0.103,1168 0.211,1169 0.131,1170 0.1,1171 4.536,1172 0.144,1173 3.184,1174 0.037,1175 6.544,1176 0.335,1177 4.053,1178 0.096,1179 3.09,1180 4.473,1181 1.151,1182 10.378,1183 2.978,1184 2.014,1185 1.986,1186 2.091,1187 2.13,1188 1.342,1189 2.118,1190 1.871,1191 1.846,1192 2.007,1193 1.973,1194 1.186,1195 1.987,1196 1.773,1197 1.705,1198 1.996,1199 1.964,1200 1.112,1201 1.976,1202 1.616,1203 1.538,1204 1.886,1205 1.826,1206 1.044,1207 1.851,1208 1.437,1209 1.386,1210 1.725,1211 1.632,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.648,1217 1.584,1218 0.848,1219 1.633,1220 1.292,1221 1.205,1222 1.6,1223 1.524,1224 0.753,1225 1.566,1226 1.073,1227 1.02,1228 1.308,1229 1.3,1230 0.438,1231 1.307,1232 4.143,1233 5.407,1235 6.87,1237 8.427,1239 10.037,1241 6.66,1247 5.979,1248 3.608,1249 5.859,1251 0.34,1252 2.464,1257 36.176,1258 83.736,1259 193.099,1260 261.597,1261 303.901,1262 313.51,1263 313.51,1264 45.176,1265 7.304,1266 50.28,1267 50.28,1268 18,1269 12.278,1270 4.17,1271 3.248,1272 52.379,1273 121,1274 132,1275 0.201,1276 226.561,1277 385.65,1278 544.568,1279 15043,1281 20.476,1282 0.706,1283 0.613,1284 20.476,1285 17.766,1286 14.19,1287 0.458,1288 0.342,1289 10.503,1290 13.749,1291 10.169,1292 8.545,1293 14.19,1294 10.616,1295 11.842,1296 0.296,1297 0.183,1298 11.842,1299 7.322,1300 9.723,1301 0.194,1302 0.103,1303 9.723,1304 5.15,1305 7.817,1306 0.126,1307 0.055,1308 7.817,1309 3.43,1310 6.118,1311 0.079,1312 0.027,1313 6.118,1314 2.108,1315 0.319,1316 87.887,1317 0.219,1318 27.967,1319 0.539,1320 142,1321 349.004,1322 153.897,1323 341.16,1324 479.15,1325 324,1326 161,1327 361.173,1328 173.258,1329 365.656,1330 532.56,1331 346,1332 5.699}
{0 CHEMBL195103,1 1.581,2 13.111,3 5.672,4 32.174,5 115.304,6 7.48,7 0.429,8 4.063,9 4.197,10 3.623,11 3.57,12 5.064,13 3.519,14 4.623,15 4.834,16 3.963,17 3.925,18 5.59,19 3.837,20 4.856,21 5.104,22 4.022,23 4.069,24 5.722,25 3.945,26 4.927,27 5.182,28 4.038,29 4.066,30 5.821,31 3.906,32 4.93,33 5.225,34 3.723,35 3.993,36 5.672,37 3.821,38 4.854,39 5.143,40 3.843,41 3.92,42 5.705,43 3.78,44 4.729,45 4.993,46 3.743,47 3.871,48 5.593,49 3.742,50 4.709,51 4.978,52 3.741,53 3.84,54 5.583,55 3.685,56 0.019,57 0.765,58 12.05,59 4.975,60 7.799,61 7.041,62 0.327,63 1.154,64 24.669,65 8.134,66 29.805,67 11.703,68 0.302,69 1.326,70 35.475,71 10.328,72 31.315,73 14.938,74 0.553,75 1.343,76 43.784,77 11.684,78 51.245,79 16.425,80 0.362,81 1.352,82 36.162,83 11.314,84 36.891,85 16.576,86 0.475,87 1.265,88 36.268,89 9.741,90 45.901,91 14.736,92 0.349,93 1.176,94 28.631,95 8.49,96 34.538,97 12.579,98 0.373,99 1.106,100 30.534,101 8.662,102 38.032,103 12.996,104 36,105 36,106 0.265,107 0.558,108 0.763,109 0.848,110 0.848,111 0.848,112 3.338,113 1.088,114 -5.91,115 -5.77,116 -5.37,119 36.4,120 3,121 2,125 4,127 1,138 4,139 1,140 2,141 1,143 1,146 1,163 3,165 3,166 6,169 1,171 3,172 8,176 2,181 1,183 4,187 8,190 2,194 8,198 4,201 1,205 3,209 11,214 1,217 1,220 1,221 3,226 3,227 3,231 2,236 3,238 5,241 2,242 2,249 5,252 1261,253 18.102,254 18.102,255 18.102,256 18.102,257 18.102,258 16.549,259 26.986,260 10.889,261 18.858,262 13.682,263 13.682,264 13.682,265 13.682,266 13.682,267 11.4,268 38.14,269 5.032,270 14.937,271 4.201,272 2.459,273 1.237,274 0.732,275 0.732,276 0.732,277 4.005,279 2,283 1,284 718,285 4.062,288 206.275,295 2.263,296 21.092,299 0.75,300 0.67,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.8,307 57.667,308 354,309 4.234,310 3.289,311 6.06,312 3.791,313 2.864,314 3.881,315 1.151,316 8.714,317 2.627,318 4.077,319 2.967,320 5.645,321 3.645,322 2.724,323 3.673,324 0.8,325 7.884,326 2.515,327 3.524,328 2.789,329 5.276,330 3.384,331 2.461,332 2.79,333 0.4,334 6.667,335 2.272,336 3.459,337 2.755,338 5.172,339 3.25,340 2.332,341 2.665,343 6.48,344 2.141,345 3.413,346 2.615,347 4.956,348 3.005,349 2.119,350 2.45,352 5.805,353 1.817,354 3.105,355 2.16,356 4.701,357 2.816,358 1.894,359 2.172,361 5.167,362 1.704,363 2.847,364 1.951,365 4.17,366 2.37,367 1.473,368 1.977,370 3.764,371 1.244,372 2.67,373 1.334,374 3.514,375 2.18,376 1.232,377 1.744,379 2.684,380 1.165,381 2.138,382 1.178,383 3.362,384 2.066,385 1.101,386 1.133,388 2.322,389 1.058,390 1.964,391 1.082,392 3.237,393 1.632,394 0.747,395 0.882,397 1.734,398 0.636,399 1.618,400 0.744,401 2.766,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.264,409 0.533,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 1.204,418 0.294,419 2.546,420 0.843,426 0.963,427 0.256,428 2.359,429 0.734,430 -0.206,431 -0.231,433 -0.452,434 -0.194,435 0.798,436 -0.076,437 2.208,438 0.381,439 -0.514,440 -0.612,442 -1.095,443 -0.293,444 13.362,445 0.495,446 0.574,447 0.021,448 30.25,449 1.12,450 13,451 0.481,452 17.25,453 0.639,454 26.977,455 0.999,456 31.038,457 0.564,458 19.848,459 0.735,460 5.645,461 0.209,462 7.366,463 0.273,464 0.219,466 0.254,472 0.785,473 1.619,474 0.655,475 1.146,476 0.734,477 1.08,478 0.893,479 1.117,480 0.696,481 0.878,482 0.591,483 0.923,484 1.09,485 1.048,486 0.908,487 0.916,488 0.884,489 0.929,490 0.92,491 1.024,492 0.894,493 1.043,494 0.86,495 1.046,496 0.799,497 0.943,498 0.611,499 0.819,500 0.757,501 0.865,502 0.724,503 0.975,504 0.659,505 0.843,506 0.643,507 0.815,508 1.141,509 0.975,510 0.699,511 0.773,512 0.982,513 0.877,514 0.775,515 1.062,516 0.762,517 0.965,518 0.759,519 0.986,520 6,521 0.132,522 2.444,523 1.563,524 0.996,525 0.688,526 0.386,527 0.333,528 0.221,529 0.22,530 9320,531 24794,532 1.954,533 50.9,535 13,537 1,538 1,540 13,542 1.696,543 1.82,544 3.663,545 -0.309,550 86.93,551 1.581,552 3.323,553 4.544,554 5.049,555 5.049,556 5.049,557 3.134,558 4.533,559 4.724,560 3.867,561 1357.38,562 8.174,563 18948.3,568 317.975,569 1.427,570 4.677,571 0.214,572 0.006,573 0.068,574 0.043,575 0.032,576 0.025,577 0.013,578 0.012,579 0.009,580 0.01,581 0.432,582 0.33,583 0.75,584 1.961,585 138.36,586 -0.014,587 -0.299,588 0.021,589 -0.115,590 -0.035,591 -0.05,592 0.123,593 0.038,594 0.071,595 0.067,596 0.242,597 0.037,598 -0.105,599 0.007,600 0.009,601 0.039,602 0.011,603 0.035,604 0.131,605 -0.044,606 0.052,607 -0.076,608 0.14,609 -0.076,610 0.007,611 -0.003,612 0.083,613 0.08,614 -0.001,615 0.085,616 0.161,617 -0.011,618 0.141,619 0.057,620 0.221,621 0.126,622 -0.129,623 0.069,624 0.021,625 0.11,626 -0.074,627 0.046,628 0.086,629 -0.056,630 0.058,631 -0.037,632 0.081,633 -0.029,634 1.346,635 2.18,636 0.444,637 30.856,638 0.998,639 1.136,640 4.68,641 21.905,642 0.656,643 3.367,644 3.611,645 3.761,646 3.892,647 4.007,648 3.989,649 3.951,650 4.043,651 4.094,652 4.159,653 7.751,654 0.606,655 411.42,656 3.367,657 4.86,658 5.652,659 6.479,660 7.284,661 8.114,662 8.925,663 9.758,664 10.572,665 11.407,666 7.3,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 55,705 12,706 1,707 28,709 56,710 20,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 10,730 10,747 28,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 1,812 1,814 1,815 1,824 2,825 1.8,830 1,832 14.833,833 10.552,834 6.278,835 3.685,836 2.212,837 1.326,838 0.922,839 9.456,840 8.992,841 3.555,842 4.043,843 4.472,844 4.913,845 5.36,846 5.329,847 5.371,848 5.704,849 6.024,850 6.354,851 0.889,852 36,853 9.95,854 3.926,855 7.607,856 19.31,857 14.913,859 2.107,860 56.889,864 317.82,865 106.307,866 54.706,867 78.297,868 11,871 106.307,872 407.117,873 54.706,874 26.476,875 15.979,876 37.905,877 63.353,878 33.358,879 6.714,880 306.049,881 78.297,882 317.82,883 161.013,884 11,885 78.297,887 164.795,888 164.024,891 59.012,892 50.42,893 129.879,895 317.82,896 65.706,897 184.604,900 317.82,901 32.879,902 76.552,903 18.011,904 122.868,905 317.82,906 65.706,907 184.604,909 0.562,910 0.318,911 0.156,912 0.075,913 13,914 7,915 0.196,916 11,918 1,919 3.971,920 200.156,922 12,923 124.382,928 22.06,929 11.574,930 7.724,932 65.706,933 8.857,934 8.594,938 3.089,940 18.011,941 568.13,942 34,952 54.869,953 62.488,954 0.273,955 0.575,956 0.786,957 0.873,958 0.873,959 0.873,960 4.754,961 1.232,962 5.602,963 3.764,964 4.29,965 4.727,966 1.595,967 6.297,968 4.116,969 5.904,970 1.101,971 7.096,972 2.684,973 3.761,974 4.388,975 0.325,976 6.969,977 3.412,978 7.164,979 0.747,980 8.68,981 2.322,982 5.784,983 6.774,984 1.613,985 9.951,986 5.451,987 8.454,988 0.618,989 10.314,990 1.734,991 6.019,992 7.203,993 0.268,994 11.383,995 5.513,996 9.772,997 0.155,998 11.979,999 0.791,1000 7.503,1001 9.105,1002 1.779,1003 13.87,1004 7.011,1005 11.11,1007 13.666,1008 0.276,1009 8.107,1010 9.915,1011 0.188,1012 15.647,1013 7.456,1014 12.463,1015 -0.206,1016 15.367,1018 9.351,1019 11.589,1020 1.991,1021 17.941,1022 8.694,1023 2.864,1024 -0.514,1025 17.08,1026 -0.452,1027 10.15,1028 12.612,1029 0.125,1030 19.893,1031 9.351,1032 2.724,1033 8.714,1034 18.803,1035 -1.095,1036 11.279,1037 14.157,1038 2.225,1039 22.103,1040 10.454,1041 2.461,1042 7.884,1043 20.534,1044 3.881,1045 12.184,1046 15.305,1047 0.082,1048 24.147,1049 11.231,1050 2.332,1051 6.667,1052 22.272,1053 3.673,1054 13.258,1055 16.772,1056 2.473,1057 26.322,1058 12.261,1059 2.119,1060 6.48,1061 24.016,1062 2.79,1063 14.22,1064 17.995,1065 0.054,1066 28.415,1067 13.109,1068 1.894,1069 5.805,1070 25.766,1071 2.665,1072 15.269,1073 19.414,1074 2.73,1075 30.574,1076 14.101,1077 1.473,1078 5.167,1079 27.52,1080 2.45,1081 16.263,1082 20.683,1083 0.035,1084 32.694,1085 14.99,1086 9456,1087 15880,1088 18.087,1089 36.091,1090 39.483,1091 40.395,1092 41.243,1093 39.843,1094 39.438,1095 48.289,1096 4.702,1097 104.579,1098 35.857,1099 5.169,1100 5.289,1101 5.678,1102 4.875,1103 4.864,1104 6.881,1105 2.302,1106 14.956,1107 4.627,1108 15.748,1109 1.41,1110 1.443,1111 1.473,1112 1.423,1113 1.408,1114 1.725,1115 0.168,1116 3.735,1117 1.281,1118 3.948,1119 3.982,1120 4.094,1121 3.883,1122 5.086,1123 3.874,1124 3.859,1125 3.902,1126 3.828,1127 3.704,1128 4.993,1129 3.718,1130 3.762,1131 3.832,1132 3.64,1133 3.579,1134 4.631,1135 3.587,1136 3.591,1137 3.666,1138 3.594,1139 3.416,1140 4.405,1141 3.409,1142 3.306,1143 3.407,1144 3.439,1145 3.123,1146 4.324,1147 3.089,1148 3.271,1149 3.355,1150 3.212,1151 3.088,1152 4.218,1153 3.083,1154 3.218,1155 3.263,1156 3.04,1157 3.056,1158 4.025,1159 3.034,1160 2.879,1161 2.938,1162 3.031,1163 2.797,1164 3.918,1165 2.77,1166 0.151,1167 0.117,1168 0.216,1169 0.135,1170 0.102,1171 4.234,1172 0.139,1173 3.289,1174 0.041,1175 6.06,1176 0.311,1177 3.791,1178 0.094,1179 2.864,1180 3.881,1181 1.151,1182 8.714,1183 2.627,1184 1.894,1185 1.88,1186 2.021,1187 2.017,1188 1.34,1189 2.014,1190 1.807,1191 1.748,1192 1.959,1193 1.965,1194 1.133,1195 1.976,1196 1.712,1197 1.65,1198 1.905,1199 1.916,1200 1.125,1201 1.916,1202 1.582,1203 1.51,1204 1.784,1205 1.785,1206 0.87,1207 1.8,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.283,1215 1.195,1216 1.631,1217 1.518,1218 0.743,1219 1.561,1220 1.176,1221 1.137,1222 1.406,1223 1.397,1224 0.587,1225 1.406,1226 0.868,1227 0.824,1228 1.261,1229 1.135,1230 0.437,1231 1.184,1232 4.043,1233 5.303,1235 6.744,1237 8.266,1239 9.829,1241 6.563,1242 12.079,1247 5.847,1248 3.416,1249 5.68,1251 0.328,1252 2.436,1257 33.304,1258 86.93,1259 182.748,1260 249.936,1261 277.71,1262 277.71,1263 277.71,1264 52.94,1265 6.78,1266 50.28,1267 50.28,1268 12,1269 11.981,1270 3.7,1271 2.807,1272 58.776,1273 125,1274 116,1275 0.224,1276 218.105,1277 375.41,1278 523.937,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.656,1284 20.648,1285 17.724,1286 13.012,1287 0.465,1288 0.363,1289 9.346,1290 11.964,1291 8.97,1292 7.522,1293 13.589,1294 10.156,1295 11.086,1296 0.308,1297 0.203,1298 11.865,1299 7.307,1300 8.646,1301 0.206,1302 0.119,1303 9.262,1304 4.992,1305 6.624,1306 0.138,1307 0.067,1308 7.32,1309 3.22,1310 4.627,1311 0.086,1312 0.033,1313 4.985,1314 1.785,1315 0.366,1316 87.212,1317 0.235,1318 26.776,1319 0.578,1320 128,1321 367.411,1322 170.824,1323 413.434,1324 542.35,1325 386,1326 142,1327 348.546,1328 174.784,1329 371.215,1330 537.56,1331 348,1332 5.553}
{0 CHEMBL195119,1 1.388,2 12.36,3 3.924,4 15.398,5 102.908,6 6.228,7 0.462,8 4.052,9 4.199,10 3.456,11 3.521,12 5.018,13 3.469,14 4.609,15 4.835,16 3.714,17 3.846,18 5.497,19 3.76,20 4.847,21 5.119,22 3.713,23 3.964,24 5.655,25 3.842,26 4.868,27 5.141,28 3.61,29 3.99,30 5.605,31 3.823,32 4.948,33 5.255,34 3.573,35 3.981,36 5.661,37 3.796,38 4.863,39 5.174,40 3.566,41 3.905,42 5.575,43 3.743,44 4.729,45 5.005,46 3.526,47 3.839,48 5.545,49 3.695,50 4.747,51 5.047,52 3.366,53 3.773,54 5.491,55 3.604,56 0.061,57 0.785,58 13.415,59 4.894,60 9.795,61 7.419,62 0.25,63 1.181,64 23.65,65 7.409,66 24.884,67 11.651,68 0.427,69 1.355,70 29.912,71 8.722,72 34.195,73 14.183,74 0.254,75 1.358,76 29.76,77 10.326,78 26.473,79 15.78,80 0.364,81 1.392,82 32.145,83 10.448,84 34.573,85 16.475,86 0.275,87 1.303,88 29.515,89 9.148,90 29.306,91 14.859,92 0.274,93 1.214,94 26.238,95 7.964,96 29.856,97 12.916,98 0.298,99 1.135,100 26.555,101 8.033,102 29.808,103 12.902,104 20,105 32,106 0.233,107 0.523,108 0.726,109 0.815,110 0.824,111 0.824,112 3.265,113 1.061,114 -4.53,115 -4.45,116 -4.19,119 36.4,120 3,121 2,125 4,127 1,138 6,140 1,141 1,143 1,145 1,163 5,165 1,166 7,169 1,171 3,172 5,175 2,176 3,181 1,183 3,187 3,190 1,194 5,198 7,201 2,205 3,209 6,220 1,221 6,226 4,227 4,231 1,236 2,238 2,241 1,242 2,247 1,249 7,252 1059,253 17.154,254 17.154,255 17.154,256 17.154,257 17.154,258 15.679,259 25.129,260 10.617,261 17.659,262 12.737,263 12.737,264 12.737,265 12.737,266 12.737,267 10.605,268 37.783,269 4.936,270 13.486,271 4.394,272 2.669,273 1.46,274 0.928,275 0.878,276 0.878,277 3.935,281 1,282 1,283 1,284 630,285 3.937,288 190.415,295 2.214,296 14.175,298 1,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 53,308 309,309 4.089,310 3.02,311 5.653,312 3.676,313 2.745,314 3.679,315 1.151,316 7.908,317 2.555,318 3.89,319 2.812,320 5.355,321 3.472,322 2.527,323 3.44,324 0.8,325 7.008,326 2.385,327 3.505,328 2.771,329 5.274,330 3.38,331 2.453,332 2.681,333 0.4,334 6.659,335 2.282,336 3.426,337 2.511,338 5.144,339 3.251,340 2.305,341 2.451,343 6.406,344 2.169,345 3.11,346 2.055,347 4.697,348 2.859,349 1.899,350 2.181,352 5.163,353 1.816,354 2.912,355 1.643,356 3.641,357 2.455,358 1.491,359 2.074,361 3.149,362 1.431,363 2.668,364 1.302,365 3.502,366 2.183,367 1.228,368 1.742,370 2.668,371 1.171,372 2.5,373 1.169,374 3.362,375 2.066,376 1.101,377 1.5,379 2.322,380 1.059,381 2.138,382 1,383 3.247,384 2,385 1,386 1.133,388 2.136,389 1,390 1.822,391 0.956,392 3.082,393 1.591,394 0.618,395 0.714,397 1.409,398 0.6,399 1.618,400 0.744,401 2.759,402 1.491,403 0.603,404 0.618,406 0.791,407 0.53,408 1.21,409 0.294,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 0.987,418 -0.073,419 2.3,420 0.74,421 -0.204,422 -0.229,424 -0.446,425 -0.192,426 0.874,427 -0.097,428 2.208,429 0.518,430 -0.422,431 -0.522,433 -1.008,434 -0.393,435 0.56,436 -0.548,437 1.71,438 0.378,439 -0.606,440 -0.615,442 -1.135,443 -0.596,444 11.933,445 0.477,446 0.379,447 0.015,448 28.75,449 1.15,450 13,451 0.52,452 15.75,453 0.63,454 22.531,455 0.901,456 28.867,457 0.525,458 18.31,459 0.732,460 5.494,461 0.22,462 6.713,463 0.269,464 0.126,466 0.201,472 0.949,473 1.625,474 0.991,475 1.358,476 0.96,477 1.203,478 1.27,479 1.241,480 1.043,481 1.113,482 0.888,483 1.061,484 1.338,485 0.901,486 1.067,487 0.873,488 1.061,489 0.92,490 0.909,491 1.133,492 1.039,493 1.16,494 0.856,495 1.123,496 0.818,497 0.908,498 0.908,499 0.912,500 0.889,501 0.917,502 0.914,503 0.929,504 0.83,505 0.816,506 0.889,507 0.809,508 1.135,509 1.081,510 1.09,511 1.036,512 1.161,513 1.045,514 1.372,515 0.905,516 1.038,517 0.868,518 1.298,519 0.912,520 4.5,521 0.095,522 1.556,523 1.063,524 0.693,525 0.521,526 0.306,527 0.217,528 0.16,529 0.13,530 7730,531 15628,532 1.996,533 54.5,535 15,537 1,538 1,540 13,542 1.675,543 1.899,544 3.607,545 -0.356,547 1,550 76.33,551 1.388,552 3.113,553 4.321,554 4.854,555 4.904,556 4.904,557 3.083,558 4.084,559 4.612,560 3.795,561 1138.42,562 7.951,563 15042.9,565 1,567 1,568 317.975,569 1.21,570 4.589,571 0.173,572 0.006,573 0.049,574 0.034,575 0.026,576 0.02,577 0.011,578 0.009,579 0.008,580 0.007,581 0.341,582 0.33,583 0.88,584 1.959,585 124.944,586 0.03,587 -0.3,588 0.056,589 -0.143,590 -0.001,591 -0.056,592 0.027,593 -0.094,594 0.007,595 -0.08,596 0.185,597 -0.047,598 -0.011,599 0.149,600 -0.031,601 0.072,602 0.055,603 0.032,604 0.011,605 -0.136,606 -0.064,607 -0.143,608 0.036,609 -0.117,610 0.086,611 0.025,612 0.058,613 0.035,614 0.068,615 0.042,616 -0.009,617 0.009,618 0.142,619 0.118,620 0.081,621 0.143,622 -0.071,623 -0.035,624 -0.082,625 -0.075,626 -0.026,627 -0.077,628 -0.159,629 0.04,630 -0.038,631 0.058,632 -0.189,633 0.027,634 1.129,635 2.21,636 0.48,637 28.192,638 0.986,639 1.138,640 3.296,641 10.867,642 0.625,643 3.296,644 3.497,645 3.638,646 3.761,647 3.871,648 3.807,649 3.85,650 3.892,651 3.951,652 3.932,653 7.392,654 0.575,655 342.54,656 3.296,657 4.762,658 5.541,659 6.347,660 7.138,661 7.95,662 8.746,663 9.561,664 10.36,665 11.177,666 7.3,669 1,671 1,676 2,681 7,682 2,686 3,688 12,697 1,701 1,703 55,705 12,706 1,707 26,709 56,710 20,711 10,712 1,713 5,717 2,718 2,721 3,727 3,729 10,730 10,744 1,747 30,748 5,749 1,750 5,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 3,805 25,810 6,811 1,812 1,814 1,815 1,825 1.8,830 1,832 13.167,833 10.433,834 5.917,835 3.718,836 2.128,837 1.324,838 0.92,839 8.538,840 8.699,841 3.497,842 3.932,843 4.344,844 4.777,845 5.216,846 5.072,847 5.268,848 5.556,849 5.877,850 6.119,851 1,852 31,853 9.235,854 3.59,855 7.473,856 18.189,857 13.953,859 1.973,860 49.333,862 1,863 1,864 341.362,865 118.258,866 54.706,868 11,871 118.258,872 352.362,873 54.706,874 26.476,875 15.979,876 56.857,877 63.353,878 30.743,879 2.328,880 329.591,882 341.362,883 172.964,884 11,887 190.666,888 164.024,891 54.626,892 64.429,893 51.582,895 341.362,896 65.706,897 118.258,900 341.362,901 25.878,902 95.505,903 18.011,904 44.571,905 341.362,906 65.706,907 118.258,909 0.548,910 0.308,911 0.154,912 0.075,913 11,914 5,915 0.196,916 11,918 1,919 3.88,920 176.823,922 12,923 108.096,928 19.519,929 10.936,930 7.308,932 65.706,933 13.423,934 8.832,938 2.371,940 18.011,941 525.326,942 32,952 54.221,953 62.6,954 0.24,955 0.538,956 0.747,957 0.84,958 0.848,959 0.848,960 4.663,961 1.101,962 5.451,963 2.668,964 4.174,965 4.615,966 1.595,967 6.094,968 4.061,969 5.776,970 1,971 6.903,972 2.322,973 3.434,974 3.98,975 0.325,976 6.629,977 3.231,978 7.001,979 0.618,980 8.444,981 2.136,982 5.609,983 6.581,984 1.613,985 9.613,986 5.368,987 8.255,988 0.603,989 10.036,990 1.409,991 5.673,992 6.729,993 0.268,994 10.931,995 5.323,996 9.539,997 0.155,998 11.659,999 0.791,1000 7.259,1001 8.819,1002 1.779,1003 13.37,1004 6.885,1005 10.841,1006 -0.204,1007 13.303,1008 0.276,1009 7.721,1010 9.371,1011 0.188,1012 15.031,1013 7.232,1014 12.16,1015 -0.422,1016 14.961,1017 -0.446,1018 9.022,1019 11.194,1020 1.991,1021 17.25,1022 8.51,1023 2.745,1024 -0.606,1025 16.627,1026 -1.008,1027 9.702,1028 11.988,1029 0.125,1030 19.084,1031 9.078,1032 2.527,1033 7.908,1034 18.301,1035 -1.135,1036 10.854,1037 13.644,1038 2.225,1039 21.204,1040 10.201,1041 2.453,1042 7.008,1043 19.979,1044 3.679,1045 11.66,1046 14.595,1047 0.082,1048 23.132,1049 10.9,1050 2.305,1051 6.659,1052 21.662,1053 3.44,1054 12.731,1055 16.137,1056 2.473,1057 25.208,1058 11.935,1059 1.899,1060 6.406,1061 23.348,1062 2.681,1063 13.611,1064 17.195,1065 0.054,1066 27.189,1067 12.715,1068 1.491,1069 5.163,1070 25.036,1071 2.451,1072 14.64,1073 18.658,1074 2.73,1075 29.247,1076 13.699,1077 1.228,1078 3.149,1079 26.727,1080 2.181,1081 15.564,1082 19.788,1083 0.035,1084 31.258,1085 14.529,1086 7791,1087 11317,1088 17.277,1089 34.376,1090 36.278,1091 36.491,1092 37.592,1093 36.288,1094 36.25,1095 44.744,1096 4.702,1097 91.789,1098 34.293,1099 5.025,1100 5.02,1101 5.455,1102 4.75,1103 4.745,1104 6.679,1105 2.302,1106 13.606,1107 4.555,1108 11.565,1109 1.395,1110 1.403,1111 1.446,1112 1.396,1113 1.394,1114 1.721,1115 0.181,1116 3.53,1117 1.319,1118 3.937,1119 3.984,1120 3.875,1121 3.823,1122 5.017,1123 3.825,1124 3.848,1125 3.89,1126 3.779,1127 3.713,1128 4.825,1129 3.726,1130 3.768,1131 3.839,1132 3.64,1133 3.593,1134 4.366,1135 3.597,1136 3.597,1137 3.674,1138 3.442,1139 3.422,1140 4.301,1141 3.415,1142 3.306,1143 3.407,1144 3.118,1145 3.123,1146 4.229,1147 3.089,1148 3.278,1149 3.363,1150 3.04,1151 3.088,1152 3.92,1153 3.078,1154 3.201,1155 3.257,1156 3.004,1157 3.015,1158 3.892,1159 3.007,1160 2.854,1161 2.933,1162 2.687,1163 2.735,1164 3.756,1165 2.715,1166 0.157,1167 0.116,1168 0.217,1169 0.141,1170 0.106,1171 4.089,1172 0.142,1173 3.02,1174 0.044,1175 5.653,1176 0.304,1177 3.676,1178 0.098,1179 2.745,1180 3.679,1181 1.151,1182 7.908,1183 2.555,1184 1.877,1185 1.851,1186 2.022,1187 2.025,1188 1.34,1189 2.02,1190 1.815,1191 1.757,1192 2,1193 1.973,1194 1.125,1195 1.984,1196 1.728,1197 1.665,1198 1.911,1199 1.927,1200 1.047,1201 1.928,1202 1.592,1203 1.517,1204 1.819,1205 1.795,1206 0.899,1207 1.815,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.636,1217 1.523,1218 0.824,1219 1.566,1220 1.175,1221 1.123,1222 1.442,1223 1.41,1224 0.593,1225 1.422,1226 0.886,1227 0.821,1228 1.26,1229 1.133,1230 0.437,1231 1.183,1232 3.97,1233 5.198,1235 6.611,1237 8.1,1239 9.625,1241 6.626,1247 6.07,1248 3.465,1249 5.71,1251 0.383,1252 2.455,1257 31.649,1258 76.33,1259 171.196,1260 237.671,1261 266.955,1262 269.71,1263 269.71,1264 40.974,1265 6.571,1266 50.28,1267 50.28,1268 12,1269 11.764,1270 3.7,1271 2.807,1272 51.965,1273 109,1274 100,1275 0.225,1276 201.44,1277 344.99,1278 483.272,1279 6216,1281 17.908,1282 0.716,1283 0.624,1284 17.908,1285 15.611,1286 12.207,1287 0.47,1288 0.354,1289 9.081,1290 11.754,1291 8.779,1292 7.407,1293 12.207,1294 9.195,1295 9.934,1296 0.31,1297 0.193,1298 9.934,1299 6.174,1300 7.799,1301 0.211,1302 0.114,1303 7.799,1304 4.217,1305 5.965,1306 0.142,1307 0.064,1308 5.965,1309 2.699,1310 4.265,1311 0.091,1312 0.032,1313 4.265,1314 1.503,1315 0.366,1316 76.033,1317 0.241,1318 25.174,1319 0.578,1320 116,1321 299.004,1322 127.564,1323 288.808,1324 398.73,1325 274,1326 127,1327 293.821,1328 138.425,1329 295.904,1330 424.53,1331 279,1332 4.523}
{0 CHEMBL195203,1 1.273,2 12.172,3 5.68,4 32.262,5 123.365,6 6.371,7 0.548,8 4.155,9 4.299,10 3.589,11 3.705,12 5.13,13 3.642,14 4.697,15 4.913,16 3.881,17 4.061,18 5.593,19 3.966,20 4.961,21 5.225,22 3.923,23 4.194,24 5.768,25 4.07,26 5.005,27 5.275,28 3.859,29 4.201,30 5.791,31 4.049,32 5.051,33 5.344,34 3.826,35 4.194,36 5.803,37 4.033,38 5.002,39 5.286,40 3.836,41 4.181,42 5.764,43 4.03,44 4.968,45 5.231,46 3.807,47 4.187,48 5.778,49 4.032,50 4.995,51 5.282,52 3.721,53 4.159,54 5.74,55 3.982,56 0.072,57 0.877,58 14.32,59 5.697,60 11.16,61 8.363,62 0.221,63 1.403,64 25.093,65 9.085,66 24.145,67 13.66,68 0.265,69 1.705,70 32.764,71 11.126,72 30.15,73 17.209,74 0.267,75 1.74,76 34.026,77 12.221,78 32.501,79 18.554,80 0.3,81 1.767,82 35.698,83 12.545,84 36.011,85 19.178,86 0.255,87 1.702,88 33.904,89 12.021,90 32.329,91 18.363,92 0.27,93 1.686,94 32.804,95 11.853,96 34.274,97 17.917,98 0.235,99 1.657,100 33.476,101 12.418,102 32.401,103 18.702,104 20,105 40,106 0.206,107 0.513,108 0.694,109 0.811,110 0.837,111 0.837,112 3.408,113 1.034,114 -6.28,115 -6.12,116 -5.68,119 41,120 3,121 2,125 3,127 1,134 2,138 9,139 2,142 1,143 1,145 1,163 13,165 1,166 8,169 1,171 3,172 14,176 6,181 2,183 10,187 7,190 1,192 3,194 10,198 7,201 1,203 2,205 10,209 6,214 1,217 12,220 1,221 4,226 4,227 16,231 1,236 2,238 13,241 1,242 5,247 1,249 15,252 1631,253 20.016,254 20.016,255 20.016,256 20.016,257 20.016,258 17.9,259 17.584,260 12.229,261 20.382,262 15.219,263 15.219,264 15.219,265 15.219,266 15.219,267 12.062,268 26.553,269 5.704,270 15.749,271 4.657,272 2.763,273 1.642,274 0.916,275 0.758,276 0.758,277 4.094,283 1,284 737,285 4.062,288 257.052,292 139.199,295 2.064,296 12.659,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.83,305 1,306 0.76,307 60,308 353,309 4.539,310 3.141,311 6.544,312 4.054,313 3.09,314 4.477,315 0.8,316 10.378,317 2.98,318 3.965,319 2.785,320 5.402,321 3.54,322 2.544,323 3.53,324 0.4,325 7.121,326 2.535,327 3.658,328 2.559,329 5.35,330 3.413,331 2.473,332 3.113,334 6.826,335 2.335,336 3.584,337 2.513,338 5.269,339 3.299,340 2.361,341 2.911,343 6.63,344 2.201,345 3.445,346 2.239,347 5.224,348 3.198,349 2.239,350 2.457,352 6.595,353 2.142,354 3.171,355 1.98,356 4.861,357 2.888,358 1.927,359 2.233,361 5.444,362 1.849,363 3.004,364 1.509,365 3.887,366 2.505,367 1.509,368 2.202,370 3.24,371 1.502,372 2.883,373 1.403,374 3.624,375 2.393,376 1.402,377 2.063,379 3.057,380 1.388,381 2.512,382 1.255,383 3.6,384 2.161,385 1.18,386 1.5,388 2.737,389 1.156,390 2.5,391 1.035,392 3.354,393 2,394 1,395 1.49,397 2.255,398 1,399 2.286,400 1,401 3.247,402 1.969,403 0.991,404 1.128,406 2.136,407 0.967,408 2.12,409 0.744,410 3.092,411 1.591,412 0.618,413 0.959,415 1.408,416 0.6,417 1.618,418 0.608,419 2.853,420 1.584,421 0.601,422 0.618,424 0.791,425 0.59,426 1.324,427 0.287,428 2.618,429 1.121,430 0.158,431 0.166,433 0.294,434 0.152,435 1.105,436 -0.011,437 2.543,438 0.853,439 -0.098,440 -0.118,442 -0.22,443 -0.093,444 14.1,445 0.486,446 0.482,447 0.017,448 35.75,449 1.233,450 18,451 0.621,452 17.75,453 0.612,454 26.503,455 0.914,456 31.5,457 0.516,458 24.871,459 0.858,460 6.809,461 0.235,462 7.381,463 0.255,464 0.106,466 0.241,472 0.979,473 1.395,474 0.967,475 1.168,476 1.01,477 1.084,478 1.143,479 1.173,480 1.002,481 1.051,482 0.749,483 1.022,484 1.468,485 1.008,486 0.992,487 0.89,488 0.979,489 0.902,490 1.117,491 1.098,492 1.02,493 1.035,494 0.982,495 1.023,496 1.174,497 0.917,498 0.941,499 0.876,500 1.064,501 0.888,502 1.201,503 0.951,504 0.937,505 0.883,506 1.037,507 0.888,508 1.255,509 1.042,510 1.118,511 1.05,512 1.255,513 1.07,514 1.049,515 0.972,516 0.999,517 0.975,518 1.092,519 0.982,520 5,521 0.149,522 2.222,523 1.438,524 1.178,525 0.75,526 0.488,527 0.363,528 0.218,529 0.223,530 10987,531 21192,532 2.053,533 52.5,535 18,538 1,540 13,542 1.721,543 1.955,544 3.559,545 -0.439,550 77.679,551 1.273,552 3.168,553 4.288,554 5.015,555 5.172,556 5.172,557 3.047,558 4.375,559 4.823,560 3.762,561 1527.2,562 8.414,563 21623.6,568 361.775,569 1.233,570 4.804,571 0.161,572 0.005,573 0.056,574 0.035,575 0.032,576 0.021,577 0.013,578 0.01,579 0.007,580 0.007,581 0.347,582 0.33,583 0.88,584 1.777,585 149.441,586 0.056,587 -0.175,588 0.054,589 -0.056,590 -0.029,591 -0.01,592 0.149,593 -0.042,594 0.024,595 -0.036,596 0.247,597 -0.019,598 -0.112,599 0.049,600 0.028,601 0.07,602 0.074,603 0.062,604 0.025,605 -0.081,606 -0.021,607 -0.061,608 0.077,609 -0.047,610 0.005,611 0.067,612 0.057,613 0.074,614 0.037,615 0.07,616 -0.052,617 0.046,618 0.061,619 0.08,620 0.039,621 0.079,622 -0.087,623 -0.007,624 -0.117,625 -0.071,626 -0.109,627 -0.092,628 -0.063,629 -0.001,630 -0.017,631 0.001,632 -0.119,633 -0.003,634 0.977,635 1.812,636 0.552,637 33.853,638 0.98,639 1.128,640 5.051,641 25.508,642 0.651,643 3.466,644 3.714,645 3.932,646 4.143,647 4.357,648 4.394,649 4.5,650 4.615,651 4.736,652 4.718,653 7.309,654 0.598,655 388.61,656 3.466,657 4.963,658 5.778,659 6.619,660 7.453,661 8.305,662 9.15,663 10.01,664 10.863,665 11.729,666 6.6,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 61,705 18,706 2,707 31,709 63,710 25,711 14,712 3,713 9,714 2,717 3,718 4,721 3,727 3,729 16,730 9,733 1,739 2,747 32,748 4,749 1,750 4,755 4,760 0.667,771 1,776 3,780 1,788 2,792 1,796 2,801 3,805 29,810 5,811 1,814 1,815 1,832 14.833,833 11.6,834 6.722,835 4.16,836 3.804,837 1.521,838 0.96,839 7.921,840 11.107,841 3.726,842 4.263,843 4.842,844 5.426,845 6.024,846 6.303,847 6.747,848 7.175,849 7.627,850 7.806,851 1,852 41,853 10.714,854 4.288,855 7.42,856 21.215,857 16.852,859 1.92,860 55.667,864 364.904,865 154.659,866 54.706,871 154.659,872 364.904,873 54.706,874 26.476,875 11.386,876 104.239,877 51.582,878 13.355,879 2.328,880 364.904,882 364.904,883 209.365,887 214.208,888 153.024,891 43.13,892 93.373,893 70.534,895 364.904,896 54.706,897 154.659,900 364.904,901 23.945,902 133.839,903 18.011,904 33.571,905 364.904,906 54.706,907 154.659,909 0.556,910 0.322,911 0.169,912 0.089,913 16,914 7,915 0.159,916 10,917 1,918 1.125,919 4.152,920 236.396,921 0.125,922 16,923 132.881,928 21.17,929 10.851,930 6.218,931 2.035,932 54.706,933 18.454,934 9.533,938 2.785,940 18.011,941 574.269,942 40.5,948 4.041,952 59.778,953 68.806,954 0.215,955 0.534,956 0.723,957 0.846,958 0.872,959 0.872,960 4.914,961 1.402,962 5.714,963 3.24,964 4.394,965 4.949,966 0.824,967 6.441,968 4.328,969 6.079,970 1.18,971 7.215,972 3.057,973 3.761,974 4.543,975 0.325,976 7.182,977 3.635,978 7.346,979 1,980 8.814,981 2.737,982 5.9,983 7.114,984 0.413,985 10.259,986 5.759,987 8.652,988 0.991,989 10.476,990 2.255,991 6.111,992 7.624,993 0.268,994 11.877,995 5.911,996 9.994,997 0.618,998 12.179,999 2.136,1000 7.665,1001 9.616,1002 0.246,1003 14.466,1004 7.454,1005 11.363,1006 0.601,1007 13.912,1008 1.408,1009 8.302,1010 10.606,1011 0.188,1012 16.482,1013 8.038,1014 12.755,1015 0.158,1016 15.668,1017 0.791,1018 9.597,1019 12.33,1020 0.157,1021 18.91,1022 9.317,1023 3.09,1024 -0.098,1025 17.443,1026 0.294,1027 10.463,1028 13.575,1029 0.125,1030 21.109,1031 10.136,1032 2.544,1033 10.378,1034 19.233,1035 -0.22,1036 11.644,1037 15.172,1038 0.102,1039 23.481,1040 11.295,1041 2.473,1042 7.121,1043 21.036,1044 4.477,1045 12.632,1046 16.547,1047 0.082,1048 25.761,1049 12.24,1050 2.361,1051 6.826,1052 22.852,1053 3.53,1054 13.767,1055 18.086,1056 0.067,1057 28.113,1058 13.348,1059 2.239,1060 6.63,1061 24.677,1062 3.113,1063 14.82,1064 19.526,1065 0.054,1066 30.427,1067 14.36,1068 1.927,1069 6.595,1070 26.51,1071 2.911,1072 15.94,1073 21.04,1074 0.043,1075 32.772,1076 15.449,1077 1.509,1078 5.444,1079 28.351,1080 2.457,1081 17.026,1082 22.509,1083 0.035,1084 35.101,1085 16.497,1086 10812,1087 15247,1088 20.86,1089 39.682,1090 44.638,1091 44.308,1092 45.593,1093 44.247,1094 44.19,1095 57.694,1096 2.4,1097 117.826,1098 42.794,1099 5.476,1100 5.141,1101 6.345,1102 5.128,1103 5.09,1104 7.477,1105 1.2,1106 17.354,1107 4.98,1108 12.651,1109 1.44,1110 1.429,1111 1.471,1112 1.427,1113 1.425,1114 1.861,1115 0.077,1116 3.801,1117 1.38,1118 4.078,1119 4.114,1120 4.044,1121 3.987,1122 5.068,1123 3.995,1124 3.901,1125 3.93,1126 3.832,1127 3.851,1128 4.771,1129 3.843,1130 3.798,1131 3.871,1132 3.657,1133 3.636,1134 4.495,1135 3.63,1136 3.625,1137 3.703,1138 3.483,1139 3.446,1140 4.362,1141 3.444,1142 3.498,1143 3.547,1144 3.411,1145 3.386,1146 4.271,1147 3.386,1148 3.306,1149 3.407,1150 3.121,1151 3.123,1152 4.039,1153 3.112,1154 3.285,1155 3.372,1156 3.04,1157 3.122,1158 3.947,1159 3.089,1160 3.151,1161 3.217,1162 2.982,1163 3.011,1164 3.892,1165 2.995,1166 0.146,1167 0.101,1168 0.211,1169 0.131,1170 0.1,1171 4.539,1172 0.144,1173 3.141,1174 0.026,1175 6.544,1176 0.335,1177 4.054,1178 0.096,1179 3.09,1180 4.477,1181 0.8,1182 10.378,1183 2.98,1184 2.02,1185 1.992,1186 2.096,1187 2.13,1188 1.342,1189 2.12,1190 1.909,1191 1.882,1192 2.031,1193 1.984,1194 1.184,1195 2.002,1196 1.773,1197 1.705,1198 2.004,1199 1.967,1200 1.114,1201 1.984,1202 1.616,1203 1.539,1204 1.886,1205 1.826,1206 1.095,1207 1.851,1208 1.484,1209 1.44,1210 1.725,1211 1.624,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.651,1217 1.584,1218 0.848,1219 1.633,1220 1.302,1221 1.22,1222 1.626,1223 1.525,1224 0.659,1225 1.568,1226 1.152,1227 1.092,1228 1.348,1229 1.327,1230 0.438,1231 1.345,1232 4.143,1233 5.407,1235 6.87,1237 8.427,1239 10.037,1241 6.685,1247 5.677,1248 3.63,1251 0.356,1252 2.472,1257 36.461,1258 77.679,1259 193.244,1260 261.597,1261 305.901,1262 315.51,1263 315.51,1264 43.501,1265 7.304,1266 41.05,1267 41.05,1268 18,1269 12.278,1270 4.248,1271 3.392,1272 52.379,1273 121,1274 132,1275 0.201,1276 229.229,1277 391.52,1278 551.08,1279 15043,1281 20.476,1282 0.706,1283 0.614,1284 20.476,1285 17.805,1286 14.19,1287 0.458,1288 0.345,1289 10.601,1290 13.878,1291 10.248,1292 8.637,1293 14.19,1294 10.68,1295 11.842,1296 0.296,1297 0.185,1298 11.842,1299 7.406,1300 9.723,1301 0.194,1302 0.105,1303 9.723,1304 5.234,1305 7.817,1306 0.126,1307 0.056,1308 7.817,1309 3.481,1310 6.118,1311 0.079,1312 0.028,1313 6.118,1314 2.145,1315 0.319,1316 86.978,1317 0.219,1318 27.967,1319 0.539,1320 142,1321 315.268,1322 150.354,1323 318.629,1324 451.99,1325 302,1326 161,1327 344.718,1328 169.493,1329 353.418,1330 513.21,1331 335,1332 5.215}
{0 CHEMBL195213,1 1.573,2 12.24,3 6.686,4 44.708,5 105.903,6 7.647,7 0.462,8 3.967,9 4.094,10 3.546,11 3.512,12 4.983,13 3.456,14 4.52,15 4.717,16 3.903,17 3.879,18 5.506,19 3.785,20 4.779,21 5.016,22 3.941,23 4.005,24 5.673,25 3.867,26 4.847,27 5.124,28 3.957,29 3.928,30 5.74,31 3.764,32 4.681,33 4.958,34 3.627,35 3.808,36 5.488,37 3.671,38 4.635,39 4.887,40 3.764,41 3.813,42 5.57,43 3.693,44 4.619,45 4.867,46 3.631,47 3.792,48 5.516,49 3.651,50 4.589,51 4.876,52 3.659,53 3.678,54 5.473,55 3.526,56 0.017,57 0.68,58 10.564,59 4.685,60 7.702,61 6.442,62 0.239,63 1.051,64 21.642,65 8.122,66 26.762,67 11.126,68 0.236,69 1.23,70 32.758,71 10.304,72 32.513,73 14.322,74 0.581,75 1.208,76 42.748,77 10.917,78 54.006,79 15.202,80 0.298,81 1.124,82 28.15,83 8.547,84 31.819,85 12.402,86 0.359,87 1.09,88 28.434,89 8.236,90 38.786,91 11.875,92 0.286,93 1.066,94 26.184,95 8.064,96 33.145,97 11.474,98 0.34,99 0.963,100 28.471,101 7.973,102 37.715,103 11.706,104 32,105 34,106 0.27,107 0.57,108 0.769,109 0.864,110 0.864,111 0.864,112 3.265,113 1.08,114 -6.48,115 -6.31,116 -5.85,119 38,120 3,121 3,122 1,125 1,127 1,138 4,139 1,140 2,141 1,143 1,146 1,163 7,165 2,166 4,169 2,171 2,172 13,176 1,181 1,183 7,186 1,187 8,190 1,192 2,194 7,198 3,203 1,205 2,209 9,214 3,217 7,221 4,226 1,227 1,231 9,236 3,238 4,242 1,249 4,252 1005,253 16.361,254 16.361,255 16.361,256 16.361,257 16.361,258 14.809,259 18.889,260 9.928,261 16.929,262 12.843,263 12.843,264 12.843,265 12.843,266 12.843,267 10.562,268 29.087,269 4.775,270 13.878,271 4.071,272 2.317,273 1.161,274 0.605,275 0.605,276 0.605,277 3.929,279 2,283 1,284 622,285 3.808,288 186.703,295 2.09,296 20.385,299 0.75,300 0.83,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.85,307 53.167,308 306,309 4.234,310 3.289,311 6.06,312 3.792,313 2.864,314 3.881,315 1.151,316 8.714,317 2.628,318 4.077,319 2.966,320 5.645,321 3.638,322 2.724,323 3.673,324 0.4,325 7.884,326 2.494,327 3.518,328 2.76,329 5.179,330 3.329,331 2.374,332 2.79,334 6.506,335 2.278,336 3.438,337 2.622,338 4.956,339 3.18,340 2.203,341 2.664,343 5.807,344 2.14,345 3.244,346 2.248,347 4.737,348 3,349 2.114,350 2.28,352 5.309,353 1.803,354 3.07,355 2.127,356 4.611,357 2.798,358 1.882,359 2.114,361 5.009,362 1.699,363 2.847,364 1.94,365 4.17,366 2.371,367 1.472,368 1.977,370 3.764,371 1.246,372 2.668,373 1.316,374 3.509,375 2.161,376 1.221,377 1.742,379 2.672,380 1.142,381 2.027,382 1.086,383 3.254,384 1.986,385 1,386 1.021,388 2.1,389 0.985,390 1.963,391 1.031,392 3.19,393 1.63,394 0.746,395 0.881,397 1.733,398 0.635,399 1.263,400 0.532,401 2.612,402 0.886,408 1.091,409 0.256,410 2.535,411 0.839,412 -0.069,413 -0.076,415 -0.176,416 -0.066,417 0.798,418 0.057,419 2.359,420 0.597,421 -0.376,422 -0.4,424 -0.839,425 -0.293,426 0.718,427 -0.257,428 2,429 0.277,430 -0.514,431 -0.621,433 -1.242,434 -0.366,435 0.651,436 -0.347,437 2,438 0.202,439 -0.674,440 -0.839,442 -1.701,443 -0.563,444 12.462,445 0.498,446 0.65,447 0.026,448 28.5,449 1.14,450 13,451 0.52,452 15.5,453 0.62,454 24.619,455 0.985,456 28.338,457 0.567,458 17.704,459 0.708,460 5.019,461 0.201,462 6.917,463 0.277,464 0.235,466 0.281,472 0.748,473 1.453,474 0.635,475 1.069,476 0.737,477 1.031,478 0.766,479 1.086,480 0.66,481 0.924,482 0.557,483 0.952,484 1.036,485 1.176,486 0.913,487 1.031,488 0.943,489 1.029,490 0.864,491 0.909,492 0.794,493 0.87,494 0.791,495 0.859,496 1.006,497 0.914,498 0.653,499 0.741,500 0.923,501 0.81,502 0.857,503 1.052,504 0.758,505 0.922,506 0.778,507 0.913,508 1.226,509 1.088,510 0.823,511 0.902,512 1.117,513 1.003,514 0.677,515 1.003,516 0.64,517 0.828,518 0.608,519 0.803,520 6,521 0.115,522 2.222,523 1.438,524 0.996,525 0.688,526 0.304,527 0.333,528 0.221,529 0.22,530 7410,531 19772,532 1.95,533 50,534 11,535 7,537 1,538 1,540 5,542 1.675,543 1.807,544 3.56,545 -0.317,550 78.631,551 1.573,552 3.327,553 4.483,554 5.039,555 5.039,556 5.039,557 3.083,558 4.484,559 4.612,560 3.757,561 1127.2,562 7.953,563 14633,568 282.193,569 1.469,570 4.56,571 0.231,572 0.007,573 0.065,574 0.045,575 0.036,576 0.026,577 0.011,578 0.014,579 0.01,580 0.012,581 0.456,582 0.33,583 0.88,584 1.765,585 124.245,586 -0.017,587 -0.181,588 0.015,589 -0.068,590 -0.048,591 -0.024,592 0.161,593 0.041,594 0.082,595 0.034,596 0.264,597 0.019,598 -0.069,599 -0.148,600 -0.012,601 -0.07,602 -0.027,603 -0.061,604 0.223,605 0.016,606 0.167,607 0.072,608 0.22,609 0.095,610 -0.098,611 0.099,612 0.051,613 0.138,614 -0.091,615 0.116,616 0.085,617 -0.01,618 0.049,619 -0.008,620 0.131,621 0.029,622 -0.191,623 -0.039,624 -0.065,625 -0.003,626 -0.207,627 -0.076,628 0.191,629 -0.052,630 0.2,631 0.088,632 0.271,633 0.149,634 1.17,635 2.229,636 0.48,637 26.384,638 0.998,639 1.131,640 5.249,641 27.553,642 0.666,643 3.296,644 3.555,645 3.664,646 3.829,647 3.97,648 3.951,649 3.871,650 4.007,651 4.025,652 4.094,653 7.186,654 0.615,655 382.37,656 3.296,657 4.796,658 5.58,659 6.412,660 7.213,661 8.048,662 8.858,663 9.695,664 10.509,665 11.349,666 6,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 50,705 12,706 1,707 26,709 51,710 19,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 4,729 10,730 9,731 1,747 25,748 4,749 1,750 6,751 2,755 3,760 1,761 1,771 1,776 2,796 2,801 3,802 2,805 25,810 4,811 1,812 1,814 2,824 2,825 2,830 1,832 13.833,833 9.686,834 5.611,835 3.219,836 2.22,837 1.334,838 0.92,839 8.109,840 8.865,841 3.497,842 4.007,843 4.425,844 4.89,845 5.351,846 5.319,847 5.352,848 5.697,849 6.01,850 6.339,851 1,852 32,853 9.21,854 3.671,855 7.629,856 17.836,857 13.958,859 2.129,860 53.222,864 282.506,865 102.524,866 51.582,867 78.297,868 11,871 102.524,872 371.804,873 51.582,874 26.476,875 12.196,876 37.905,877 63.353,878 30.234,879 6.714,880 270.735,881 78.297,882 282.506,883 154.106,884 11,885 78.297,887 223.651,888 69.855,891 49.618,892 52.906,893 129.879,895 282.506,896 62.582,897 180.822,900 282.506,901 29.096,902 73.428,903 18.011,904 122.868,905 282.506,906 62.582,907 180.822,909 0.57,910 0.297,911 0.148,912 0.078,913 13,914 7,915 0.176,916 9,918 1,919 3.78,920 181.217,922 12,923 114.096,928 20.121,929 10.076,930 7.287,932 62.582,933 8.765,934 8.666,938 3.142,940 18.011,941 525.91,942 32,952 49.883,953 56.575,954 0.279,955 0.59,956 0.794,957 0.893,958 0.893,959 0.893,960 4.7,961 1.221,962 5.541,963 3.764,964 4.234,965 4.691,966 1.378,967 6.232,968 4.078,969 5.865,970 1,971 7.031,972 2.672,973 3.761,974 4.388,976 6.88,977 3.462,978 7.127,979 0.746,980 8.61,981 2.1,982 5.72,983 6.751,984 1.517,985 9.874,986 5.425,987 8.418,989 10.239,990 1.733,991 5.969,992 7.188,994 11.288,995 5.519,996 9.737,997 -0.069,998 11.9,1000 7.435,1001 9.092,1002 1.732,1003 13.799,1004 6.99,1005 11.075,1006 -0.376,1007 13.583,1008 -0.176,1009 8.042,1010 9.905,1012 15.573,1013 7.444,1014 12.43,1015 -0.514,1016 15.282,1017 -0.839,1018 9.284,1019 11.582,1020 1.968,1021 17.885,1022 8.675,1023 2.864,1024 -0.674,1025 16.995,1026 -1.242,1027 10.084,1028 12.606,1030 19.841,1031 9.33,1032 2.724,1033 8.714,1034 18.719,1035 -1.701,1036 11.216,1037 14.153,1038 2.214,1039 22.063,1040 10.432,1041 2.374,1042 7.884,1043 20.452,1044 3.881,1045 12.123,1046 15.302,1048 24.113,1049 11.205,1050 2.203,1051 6.506,1052 22.193,1053 3.673,1054 13.201,1055 16.77,1056 2.468,1057 26.295,1058 12.236,1059 2.114,1060 5.807,1061 23.941,1062 2.79,1063 14.167,1064 17.993,1066 28.393,1067 13.08,1068 1.882,1069 5.309,1070 25.695,1071 2.664,1072 15.221,1073 19.413,1074 2.727,1075 30.557,1076 14.072,1077 1.472,1078 5.009,1079 27.455,1080 2.28,1081 16.219,1082 20.682,1084 32.68,1085 14.957,1086 7532,1087 12694,1088 16.701,1089 33.324,1090 37.624,1091 38.515,1092 38.315,1093 37.467,1094 37.2,1095 46.046,1096 3.102,1097 98.995,1098 34.098,1099 5.151,1100 5.289,1101 5.622,1102 4.877,1103 4.864,1104 6.881,1105 2.302,1106 14.956,1107 4.628,1108 14.913,1109 1.447,1110 1.481,1111 1.474,1112 1.441,1113 1.431,1114 1.771,1115 0.119,1116 3.808,1117 1.311,1118 3.948,1119 3.979,1120 4.094,1121 3.884,1122 5.073,1123 3.875,1124 3.855,1125 3.899,1126 3.825,1127 3.711,1128 4.993,1129 3.715,1130 3.761,1131 3.818,1132 3.626,1133 3.613,1134 4.633,1135 3.62,1136 3.567,1137 3.639,1138 3.592,1139 3.42,1140 4.445,1141 3.405,1142 3.23,1143 3.294,1144 3.404,1145 3.062,1146 4.294,1147 3.057,1148 3.173,1149 3.247,1150 3.202,1151 2.991,1152 4.169,1153 2.964,1154 2.88,1155 3.009,1156 2.958,1157 2.796,1158 4.05,1159 2.769,1160 2.874,1161 2.973,1162 2.846,1163 2.648,1164 3.829,1165 2.659,1166 0.163,1167 0.127,1168 0.233,1169 0.146,1170 0.11,1171 4.234,1172 0.149,1173 3.289,1174 0.044,1175 6.06,1176 0.335,1177 3.792,1178 0.101,1179 2.864,1180 3.881,1181 1.151,1182 8.714,1183 2.628,1184 1.895,1185 1.881,1186 2.056,1187 2.015,1188 1.388,1189 2.018,1190 1.822,1191 1.763,1192 1.962,1193 1.961,1194 1.136,1195 1.979,1196 1.725,1197 1.675,1198 1.898,1199 1.903,1200 1.132,1201 1.906,1202 1.577,1203 1.511,1204 1.778,1205 1.763,1206 0.793,1207 1.786,1208 1.219,1209 1.135,1210 1.589,1211 1.46,1212 0.74,1213 1.508,1214 1.158,1215 1.106,1216 1.417,1217 1.384,1218 0.572,1219 1.393,1220 0.934,1221 0.824,1222 1.393,1223 1.239,1224 0.469,1225 1.308,1226 0.868,1227 0.804,1228 1.221,1229 1.135,1230 0.391,1231 1.164,1232 3.97,1233 5.242,1235 6.681,1237 8.201,1239 9.765,1241 6.634,1242 12.059,1247 3.846,1248 3.327,1249 5.729,1251 1.055,1257 30.756,1258 78.631,1259 166.363,1260 224.154,1261 251.928,1262 251.928,1263 251.928,1264 48.399,1265 6.645,1266 47.04,1267 47.04,1268 12,1269 11.92,1270 3.7,1271 2.807,1272 51.961,1273 107,1274 105,1275 0.234,1276 201.719,1277 347.11,1278 483.953,1279 6652,1280 4,1281 18.234,1282 0.729,1283 0.658,1284 19.234,1285 16.44,1286 11.936,1287 0.459,1288 0.36,1289 8.578,1290 11.009,1291 8.183,1292 6.917,1293 12.513,1294 9.357,1295 10.797,1296 0.318,1297 0.219,1298 11.576,1299 7.457,1300 7.66,1301 0.202,1302 0.116,1303 8.276,1304 4.402,1305 6.047,1306 0.134,1307 0.064,1308 6.743,1309 2.87,1310 4.407,1311 0.085,1312 0.033,1313 4.766,1314 1.696,1315 0.379,1316 80.143,1317 0.245,1318 24.993,1319 0.607,1320 120,1321 339.765,1322 160.687,1323 389.126,1324 508.41,1325 362,1326 132,1327 324.434,1328 162.619,1329 348.687,1330 503.16,1331 326,1332 5}
{0 CHEMBL195298,1 1.505,2 13.111,3 5.497,4 30.22,5 119.034,6 7.329,7 0.429,8 4.076,9 4.223,10 3.616,11 3.586,12 5.06,13 3.527,14 4.633,15 4.857,16 3.955,17 3.95,18 5.565,19 3.851,20 4.889,21 5.149,22 4.015,23 4.1,24 5.729,25 3.963,26 4.945,27 5.212,28 4.025,29 4.104,30 5.802,31 3.928,32 4.976,33 5.286,34 3.724,35 4.032,36 5.705,37 3.849,38 4.862,39 5.157,40 3.813,41 3.969,42 5.668,43 3.813,44 4.762,45 5.029,46 3.76,47 3.937,48 5.615,49 3.784,50 4.783,51 5.076,52 3.749,53 3.86,54 5.62,55 3.689,56 0.042,57 0.803,58 12.61,59 4.878,60 8.359,61 7.226,62 0.268,63 1.212,64 25.007,65 8.16,66 25.968,67 12.108,68 0.324,69 1.393,70 36.7,71 10.332,72 31.482,73 15.512,74 0.458,75 1.419,76 43.76,77 11.634,78 44.609,79 17.045,80 0.389,81 1.419,82 38.575,83 11.219,84 37.666,85 17.11,86 0.385,87 1.293,88 35.483,89 9.864,90 38.553,91 15.189,92 0.312,93 1.229,94 30.854,95 9.219,96 32.696,97 13.812,98 0.37,99 1.161,100 33.112,101 9.071,102 38.996,103 14.035,104 36,105 36,106 0.252,107 0.556,108 0.762,109 0.851,110 0.851,111 0.851,112 3.338,113 1.1,114 -5.91,115 -5.77,116 -5.37,119 35.7,120 3,121 2,125 4,127 1,138 4,139 1,140 2,141 1,143 1,146 1,163 3,165 1,166 5,169 3,171 4,172 8,176 1,181 2,183 4,187 5,190 1,191 1,192 4,194 7,198 4,201 1,205 3,209 4,214 4,217 5,220 2,221 1,226 4,227 3,231 4,236 3,238 3,242 5,245 1,249 3,252 1261,253 18.102,254 18.102,255 18.102,256 18.102,257 18.102,258 16.549,259 29.154,260 10.889,261 18.793,262 13.682,263 13.682,264 13.682,265 13.682,266 13.682,267 11.4,268 45.197,269 5.032,270 14.826,271 4.302,272 2.486,273 1.251,274 0.719,275 0.719,276 0.719,277 4.005,279 2,282 1,283 1,284 718,285 4.062,288 206.275,295 2.263,296 18.939,299 0.75,300 0.67,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.8,307 57.167,308 354,309 4.234,310 3.268,311 6.06,312 3.797,313 2.864,314 3.881,315 0.8,316 8.714,317 2.645,318 4.077,319 2.885,320 5.645,321 3.646,322 2.724,323 3.673,324 0.657,325 7.884,326 2.509,327 3.524,328 2.783,329 5.276,330 3.39,331 2.461,332 2.79,333 0.4,334 6.667,335 2.294,336 3.459,337 2.748,338 5.172,339 3.271,340 2.332,341 2.665,343 6.48,344 2.18,345 3.413,346 2.517,347 4.956,348 3.006,349 2.119,350 2.45,352 5.805,353 1.825,354 3.105,355 2.115,356 4.701,357 2.819,358 1.894,359 2.172,361 5.167,362 1.718,363 2.847,364 1.916,365 4.17,366 2.375,367 1.473,368 1.977,370 3.764,371 1.25,372 2.67,373 1.295,374 3.514,375 2.182,376 1.232,377 1.744,379 2.684,380 1.166,381 2.138,382 1.168,383 3.362,384 2.074,385 1.101,386 1.133,388 2.322,389 1.068,390 1.964,391 0.994,392 3.237,393 1.666,394 0.747,395 0.882,397 1.734,398 0.666,399 1.618,400 0.744,401 2.766,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.264,409 0.438,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 1.204,418 0.293,419 2.546,420 0.863,426 0.963,427 0.256,428 2.359,429 0.735,430 -0.206,431 -0.231,433 -0.452,434 -0.194,435 0.798,436 -0.076,437 2.208,438 0.381,439 -0.514,440 -0.612,442 -1.095,443 -0.293,444 13.429,445 0.497,446 0.574,447 0.021,448 30.25,449 1.12,450 13,451 0.481,452 17.25,453 0.639,454 27.118,455 1.004,456 30.971,457 0.553,458 19.707,459 0.73,460 5.607,461 0.208,462 7.404,463 0.274,464 0.218,466 0.253,472 0.805,473 1.627,474 0.674,475 1.116,476 0.744,477 1.075,478 0.839,479 1.129,480 0.702,481 0.904,482 0.551,483 0.949,484 1.172,485 1.061,486 0.912,487 0.886,488 0.939,489 0.922,490 0.858,491 1.111,492 0.903,493 1.076,494 0.853,495 1.086,496 0.837,497 0.864,498 0.678,499 0.779,500 0.839,501 0.84,502 0.799,503 0.941,504 0.692,505 0.816,506 0.722,507 0.826,508 0.963,509 1.045,510 0.84,511 0.954,512 0.926,513 1.01,514 0.699,515 1.091,516 0.696,517 0.94,518 0.685,519 0.932,520 6,521 0.132,522 2.444,523 1.563,524 0.996,525 0.688,526 0.386,527 0.333,528 0.221,529 0.22,530 9320,531 24082,532 1.954,533 51.8,535 13,537 1,538 2,540 13,542 1.696,543 1.82,544 3.663,545 0.267,550 84.282,551 1.505,552 3.321,553 4.557,554 5.088,555 5.088,556 5.088,557 3.134,558 4.533,559 4.724,560 3.867,561 1357.38,562 8.174,563 18948.3,568 325.212,569 1.427,570 4.677,571 0.214,572 0.006,573 0.068,574 0.043,575 0.032,576 0.025,577 0.013,578 0.012,579 0.009,580 0.01,581 0.432,582 0.33,583 0.75,584 1.961,585 138.36,586 -0.028,587 -0.282,588 0.015,589 -0.085,590 -0.043,591 -0.036,592 0.105,593 0.048,594 0.065,595 0.043,596 0.23,597 0.021,598 -0.136,599 -0.009,600 0.003,601 0.064,602 -0.022,603 0.039,604 0.106,605 -0.109,606 0.031,607 -0.108,608 0.1,609 -0.111,610 -0.027,611 0.08,612 0.052,613 0.109,614 -0.043,615 0.095,616 0.071,617 0.029,618 0.101,619 0.096,620 0.121,621 0.12,622 -0.044,623 0.003,624 -0.035,625 -0.026,626 -0.039,627 -0.056,628 0.176,629 -0.134,630 0.116,631 -0.024,632 0.171,633 0.017,634 1.035,635 2.103,636 0.444,637 30.856,638 0.994,639 1.139,640 4.68,641 21.905,642 0.654,643 3.367,644 3.611,645 3.761,646 3.892,647 4.007,648 3.989,649 3.951,650 4.043,651 4.094,652 4.159,653 7.751,654 0.6,655 410.44,656 3.367,657 4.86,658 5.652,659 6.479,660 7.284,661 8.114,662 8.925,663 9.758,664 10.572,665 11.407,666 8.9,669 1,671 2,676 2,681 5,682 2,686 5,688 12,697 2,702 2,703 56,705 12,706 1,707 28,709 57,710 20,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 10,730 10,747 29,748 5,749 2,750 7,751 2,755 5,760 1,771 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 2,814 1,815 1,824 2,832 14.833,833 10.636,834 6.278,835 3.748,836 2.212,837 1.326,838 0.931,839 9.456,840 8.992,841 3.555,842 4.043,843 4.472,844 4.913,845 5.36,846 5.329,847 5.371,848 5.704,849 6.024,850 6.354,851 0.889,852 36,853 9.949,854 3.924,855 7.57,856 19.408,857 15.068,859 2.07,860 55.889,864 317.82,865 101.334,866 72.717,867 78.297,871 101.334,872 396.117,873 72.717,874 26.476,875 13.492,876 37.905,877 81.364,878 22.359,879 4.227,880 306.049,881 78.297,882 317.82,883 174.051,885 78.297,887 164.795,888 153.024,891 54.038,892 50.42,893 147.89,895 317.82,896 72.717,897 179.631,900 317.82,901 27.906,902 76.552,903 36.022,904 111.868,905 317.82,906 72.717,907 179.631,909 0.562,910 0.318,911 0.156,912 0.075,913 13,914 7,915 0.193,916 11,918 1,919 3.971,920 200.156,922 12,923 124.382,928 22.06,929 11.574,930 7.724,932 72.717,933 9.087,934 8.861,938 3.641,940 36.022,941 570.168,942 34,952 55.643,953 63.777,954 0.259,955 0.572,956 0.785,957 0.876,958 0.876,959 0.876,960 4.754,961 1.232,962 5.602,963 3.764,964 4.29,965 4.727,966 1.145,967 6.297,968 4.131,969 5.904,970 1.101,971 7.096,972 2.684,973 3.761,974 4.388,975 0.325,976 6.969,977 3.428,978 7.164,979 0.747,980 8.68,981 2.322,982 5.784,983 6.774,984 0.634,985 9.951,986 5.478,987 8.454,988 0.618,989 10.314,990 1.734,991 6.019,992 7.203,993 0.268,994 11.383,995 5.542,996 9.772,997 0.155,998 11.979,999 0.791,1000 7.503,1001 9.105,1002 0.364,1003 13.87,1004 7.047,1005 11.11,1007 13.666,1008 0.276,1009 8.107,1010 9.915,1011 0.188,1012 15.647,1013 7.495,1014 12.463,1015 -0.206,1016 15.367,1018 9.351,1019 11.589,1020 0.215,1021 17.941,1022 8.739,1023 2.864,1024 -0.514,1025 17.08,1026 -0.452,1027 10.15,1028 12.612,1029 0.125,1030 19.893,1031 9.398,1032 2.724,1033 8.714,1034 18.803,1035 -1.095,1036 11.279,1037 14.157,1038 0.129,1039 22.103,1040 10.505,1041 2.461,1042 7.884,1043 20.534,1044 3.881,1045 12.184,1046 15.305,1047 0.082,1048 24.147,1049 11.287,1050 2.332,1051 6.667,1052 22.272,1053 3.673,1054 13.258,1055 16.772,1056 0.079,1057 26.322,1058 12.321,1059 2.119,1060 6.48,1061 24.016,1062 2.79,1063 14.22,1064 17.995,1065 0.054,1066 28.415,1067 13.173,1068 1.894,1069 5.805,1070 25.766,1071 2.665,1072 15.269,1073 19.414,1074 0.048,1075 30.574,1076 14.168,1077 1.473,1078 5.167,1079 27.52,1080 2.45,1081 16.263,1082 20.683,1083 0.035,1084 32.694,1085 15.062,1086 9456,1087 15596,1088 18.087,1089 36.643,1090 39.483,1091 40.238,1092 41.243,1093 39.842,1094 39.438,1095 48.289,1096 3.715,1097 104.579,1098 36.139,1099 5.169,1100 5.268,1101 5.678,1102 4.87,1103 4.864,1104 6.881,1105 1.457,1106 14.956,1107 4.645,1108 15.748,1109 1.41,1110 1.437,1111 1.473,1112 1.423,1113 1.408,1114 1.725,1115 0.133,1116 3.735,1117 1.291,1118 3.958,1119 4,1120 4.096,1121 3.89,1122 5.038,1123 3.881,1124 3.855,1125 3.9,1126 3.832,1127 3.697,1128 4.986,1129 3.713,1130 3.767,1131 3.838,1132 3.643,1133 3.594,1134 4.629,1135 3.598,1136 3.601,1137 3.677,1138 3.594,1139 3.428,1140 4.347,1141 3.421,1142 3.306,1143 3.407,1144 3.447,1145 3.123,1146 4.261,1147 3.103,1148 3.292,1149 3.379,1150 3.223,1151 3.11,1152 4.179,1153 3.089,1154 3.233,1155 3.317,1156 3.04,1157 3.065,1158 4.016,1159 3.042,1160 2.882,1161 2.975,1162 3.038,1163 2.798,1164 3.892,1165 2.77,1166 0.151,1167 0.117,1168 0.216,1169 0.136,1170 0.102,1171 4.234,1172 0.139,1173 3.268,1174 0.029,1175 6.06,1176 0.311,1177 3.797,1178 0.094,1179 2.864,1180 3.881,1181 0.8,1182 8.714,1183 2.645,1184 1.905,1185 1.885,1186 2.019,1187 2.029,1188 1.339,1189 2.022,1190 1.802,1191 1.741,1192 1.976,1193 1.971,1194 1.155,1195 1.987,1196 1.722,1197 1.66,1198 1.901,1199 1.915,1200 1.123,1201 1.914,1202 1.597,1203 1.522,1204 1.804,1205 1.795,1206 0.869,1207 1.815,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.863,1213 1.638,1214 1.294,1215 1.205,1216 1.638,1217 1.527,1218 0.799,1219 1.568,1220 1.216,1221 1.147,1222 1.453,1223 1.446,1224 0.602,1225 1.461,1226 0.868,1227 0.824,1228 1.264,1229 1.149,1230 0.437,1231 1.192,1232 4.043,1233 5.303,1235 6.744,1237 8.266,1239 9.829,1241 6.572,1242 12.151,1247 6.148,1248 6.668,1251 0.321,1252 2.44,1257 33.61,1258 84.282,1259 185.985,1260 255.173,1261 284.947,1262 284.947,1263 284.947,1264 52.441,1265 6.78,1266 53.08,1267 53.08,1268 12,1269 11.981,1270 3.7,1271 2.807,1272 58.776,1273 125,1274 116,1275 0.224,1276 220.903,1277 377.62,1278 530.764,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.66,1284 20.648,1285 17.816,1286 13.012,1287 0.465,1288 0.367,1289 9.47,1290 12.022,1291 9.09,1292 7.628,1293 13.589,1294 10.267,1295 11.086,1296 0.308,1297 0.206,1298 11.865,1299 7.413,1300 8.646,1301 0.206,1302 0.121,1303 9.262,1304 5.099,1305 6.624,1306 0.138,1307 0.069,1308 7.32,1309 3.306,1310 4.627,1311 0.086,1312 0.034,1313 4.985,1314 1.85,1315 0.366,1316 86.757,1317 0.235,1318 26.776,1319 0.578,1320 128,1321 338.008,1322 168.891,1323 392.349,1324 516.59,1325 366,1326 142,1327 332.782,1328 172.961,1329 357.07,1330 515.26,1331 336,1332 5.301}
{0 CHEMBL195343,1 1.419,2 12.167,3 4.479,4 20.057,5 121.165,6 6.649,7 0.531,8 4.168,9 4.311,10 3.632,11 3.685,12 5.191,13 3.64,14 4.711,15 4.922,16 3.945,17 4.041,18 5.684,19 3.966,20 4.979,21 5.236,22 4.017,23 4.174,24 5.928,25 4.075,26 5.02,27 5.283,28 3.969,29 4.184,30 5.916,31 4.066,32 5.072,33 5.35,34 3.972,35 4.183,36 6.001,37 4.062,38 5.027,39 5.294,40 3.956,41 4.166,42 5.959,43 4.055,44 4.992,45 5.242,46 3.906,47 4.168,48 5.945,49 4.048,50 5.019,51 5.294,52 3.771,53 4.143,54 5.882,55 3.992,56 0.058,57 0.905,58 13.995,59 5.394,60 9.818,61 7.928,62 0.262,63 1.417,64 25.139,65 8.622,66 27.043,67 13.105,68 0.458,69 1.703,70 33.802,71 10.59,72 50.44,73 16.519,74 0.295,75 1.727,76 34.945,77 11.506,78 38.884,79 17.747,80 0.443,81 1.743,82 37.367,83 11.959,84 56.413,85 18.352,86 0.355,87 1.688,88 35.597,89 11.217,90 53.667,91 17.265,92 0.363,93 1.679,94 34.169,95 11.025,96 51.465,97 16.798,98 0.379,99 1.641,100 35.299,101 11.536,102 52.558,103 17.599,104 27,105 42,106 0.23,107 0.538,108 0.699,109 0.811,110 0.837,111 0.837,112 3.44,113 1.005,114 -5.46,115 -5.33,116 -4.98,119 39.3,120 3,121 2,125 3,127 1,138 9,139 1,140 1,142 1,143 1,145 1,151 1,163 9,165 1,166 6,169 2,171 5,172 9,175 2,176 4,179 2,181 4,183 5,187 7,190 1,192 3,194 5,198 11,201 2,202 1,203 3,205 5,209 9,214 2,217 5,220 1,221 7,226 7,227 10,231 2,236 3,238 9,241 1,242 4,247 1,249 14,252 1736,253 20.516,254 20.516,255 20.516,256 20.516,257 20.516,258 18.414,259 25.104,260 12.426,261 20.906,262 15.697,263 15.697,264 15.697,265 15.697,266 15.697,267 12.539,268 37.245,269 5.785,270 16.258,271 4.512,272 2.607,273 1.609,274 0.916,275 0.758,276 0.758,277 4.124,282 1,283 1,284 760,285 4.301,288 268.021,292 144.783,295 2,296 22.257,299 0.75,300 0.83,301 0.83,302 1,303 0.5,304 1,305 1,306 0.85,307 63.5,308 365,309 4.557,310 3.582,311 6.566,312 4.083,313 3.12,314 4.486,315 1.058,316 10.458,317 3.006,318 4.054,319 3.092,320 5.994,321 3.692,322 2.711,323 3.538,324 0.8,325 8.497,326 2.652,327 3.793,328 2.785,329 5.35,330 3.413,331 2.473,332 3.302,333 0.4,334 6.856,335 2.339,336 3.59,337 2.545,338 5.317,339 3.352,340 2.377,341 2.925,343 6.816,344 2.322,345 3.445,346 2.515,347 5.269,348 3.298,349 2.351,350 2.457,352 6.63,353 2.2,354 3.171,355 1.996,356 4.861,357 2.892,358 1.931,359 2.27,361 5.444,362 1.854,363 3.049,364 1.888,365 4.254,366 2.556,367 1.578,368 2.223,370 3.882,371 1.536,372 2.885,373 1.519,374 3.752,375 2.407,376 1.416,377 2.058,379 3.073,380 1.402,381 2.705,382 1.379,383 3.6,384 2.198,385 1.209,386 1.74,388 2.823,389 1.19,390 2.5,391 1.253,392 3.512,393 2.115,394 1.133,395 1.5,397 2.541,398 1.107,399 2.393,400 1.002,401 3.338,402 2,403 1,404 1.331,406 2.14,407 1,408 2.121,409 1,410 3.247,411 1.869,412 0.89,413 1.098,415 2.136,416 0.867,417 1.618,418 0.744,419 2.856,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.316,427 0.452,428 2.689,429 1.121,430 0.158,431 0.166,433 0.294,434 0.152,435 1.178,436 0.287,437 2.618,438 0.855,439 -0.096,440 -0.116,442 -0.218,443 -0.091,444 14.333,445 0.478,446 0.571,447 0.019,448 37.5,449 1.25,450 18.5,451 0.617,452 19,453 0.633,454 27.363,455 0.912,456 33.067,457 0.542,458 27.818,459 0.927,460 7.146,461 0.238,462 7.455,463 0.249,464 0.128,466 0.272,472 0.833,473 1.465,474 0.915,475 1.192,476 0.659,477 1.078,478 0.808,479 1.24,480 0.931,481 1.082,482 0.549,483 1.024,484 1.01,485 0.975,486 0.938,487 0.886,488 0.738,489 0.893,490 0.968,491 1.134,492 0.947,493 1.045,494 0.793,495 0.995,496 1.084,497 0.919,498 0.893,499 0.883,500 1.12,501 0.868,502 1.365,503 0.989,504 0.954,505 0.889,506 1.395,507 0.878,508 1.387,509 1.07,510 1.145,511 1.051,512 1.403,513 1.068,514 1.346,515 0.924,516 1.105,517 0.934,518 1.428,519 0.987,520 5.5,521 0.182,522 2.667,523 1.688,524 1.538,525 0.951,526 0.632,527 0.422,528 0.243,529 0.223,530 11624,531 24807,532 2.032,533 50.8,535 16,538 2,540 13,542 1.731,543 1.915,544 3.555,545 0.177,547 1,550 86.546,551 1.419,552 3.324,553 4.321,554 5.015,555 5.172,556 5.172,557 3.048,558 4.374,559 4.872,560 3.754,561 1633.03,562 8.518,563 23363.9,565 1,568 361.775,569 1.338,570 4.843,571 0.172,572 0.006,573 0.063,574 0.038,575 0.038,576 0.023,577 0.015,578 0.011,579 0.007,580 0.007,581 0.381,582 0.17,583 0.88,584 1.793,585 155.532,586 -0.012,587 -0.203,588 0.047,589 -0.064,590 -0.04,591 -0.013,592 0.166,593 -0.095,594 0.055,595 -0.058,596 0.144,597 -0.022,598 0.127,599 0.083,600 0.069,601 0.071,602 0.171,603 0.066,604 0.024,605 -0.118,606 0.042,607 -0.068,608 0.09,609 -0.018,610 0.091,611 0.056,612 0.113,613 0.067,614 0.101,615 0.091,616 -0.101,617 0.003,618 0.059,619 0.068,620 -0.02,621 0.081,622 -0.148,623 -0.032,624 -0.138,625 -0.079,626 -0.1,627 -0.103,628 -0.195,629 0.049,630 -0.106,631 0.029,632 -0.203,633 -0.021,634 1.982,635 5.739,636 0.533,637 34.649,638 0.989,639 1.133,640 4.225,641 17.853,642 0.646,643 3.497,644 3.761,645 3.989,646 4.205,647 4.431,648 4.489,649 4.615,650 4.691,651 4.796,652 4.762,653 7.268,654 0.601,655 405.6,656 3.497,657 5.004,658 5.826,659 6.676,660 7.519,661 8.38,662 9.235,663 10.103,664 10.966,665 11.84,666 8.2,669 1,671 1,673 1,676 2,680 2,681 9,682 2,686 3,688 17,692 1,697 1,703 61,705 18,706 2,707 32,709 63,710 24,711 14,712 3,713 9,714 1,717 3,718 4,721 3,727 3,729 15,730 9,733 1,737 1,741 1,744 1,747 31,748 6,749 2,750 6,755 5,760 0.667,761 1,771 1,776 3,780 1,792 1,796 2,801 3,805 30,810 5,811 2,814 1,815 1,825 1.6,828 1,832 15.667,833 11.6,834 6.917,835 4.111,836 3.196,837 1.434,838 0.956,839 8.036,840 10.552,841 3.75,842 4.29,843 4.85,844 5.426,845 6.016,846 6.274,847 6.68,848 7.021,849 7.388,850 7.422,851 1,852 44,853 11.114,854 4.532,855 7.594,856 21.586,857 17.129,859 2.094,860 62.833,863 1,864 341.362,865 139.982,866 72.717,868 25.145,871 139.982,872 366.507,873 72.717,874 26.476,875 29.397,876 85.286,877 81.431,878 12.926,879 2.328,880 341.362,882 341.362,883 212.699,884 25.145,887 190.666,888 178.169,891 61.141,892 97.649,893 51.582,895 341.362,896 97.862,897 139.982,900 341.362,901 28.221,902 114.886,903 36.022,904 58.716,905 341.362,906 97.862,907 139.982,909 0.561,910 0.327,911 0.171,912 0.091,913 17,914 8,915 0.159,916 10,917 1,918 1.125,919 4.158,920 251.784,921 0.125,922 16,923 137.207,928 22.045,929 10.936,930 6.173,931 1.674,932 97.862,933 17.133,934 9.045,938 1.586,940 36.022,941 579.206,942 41.5,946 12.739,950 -0.316,952 60.323,953 69.099,954 0.239,955 0.56,956 0.729,957 0.846,958 0.872,959 0.872,960 4.951,961 1.416,962 5.778,963 3.882,964 4.443,965 4.977,966 1.509,967 6.529,968 4.374,969 6.121,970 1.209,971 7.298,972 3.073,973 3.892,974 4.663,975 0.325,976 7.322,977 3.779,978 7.399,979 1.133,980 8.918,981 2.823,982 5.974,983 7.139,984 1.391,985 10.406,986 5.828,987 8.715,988 1,989 10.6,990 2.541,991 6.256,992 7.708,993 0.268,994 12.047,995 6.066,996 10.066,997 0.89,998 12.321,999 2.14,1000 7.774,1001 9.646,1002 1.408,1003 14.645,1004 7.556,1005 11.443,1006 0.618,1007 14.07,1008 2.136,1009 8.462,1010 10.667,1011 0.188,1012 16.662,1013 8.203,1014 12.842,1015 0.158,1016 15.841,1017 0.791,1018 9.738,1019 12.363,1020 1.463,1021 19.091,1022 9.451,1023 3.12,1024 -0.096,1025 17.627,1026 0.294,1027 10.637,1028 13.623,1029 0.125,1030 21.283,1031 10.31,1032 2.711,1033 10.458,1034 19.427,1035 -0.218,1036 11.81,1037 15.206,1038 1.533,1039 23.652,1040 11.453,1041 2.473,1042 8.497,1043 21.238,1044 4.486,1045 12.817,1046 16.587,1047 0.082,1048 25.925,1049 12.421,1050 2.377,1051 6.856,1052 23.058,1053 3.538,1054 13.951,1055 18.121,1056 1.613,1057 28.274,1058 13.523,1059 2.351,1060 6.816,1061 24.886,1062 3.302,1063 15.015,1064 19.562,1065 0.054,1066 30.584,1067 14.548,1068 1.931,1069 6.63,1070 26.72,1071 2.925,1072 16.136,1073 21.075,1074 1.698,1075 32.927,1076 15.636,1077 1.578,1078 5.444,1079 28.561,1080 2.457,1081 17.23,1082 22.546,1083 0.035,1084 35.255,1085 16.691,1086 11487,1087 17096,1088 21.266,1089 39.381,1090 46.083,1091 47.205,1092 47.714,1093 45.962,1094 45.93,1095 59.423,1096 4.517,1097 124.76,1098 44.453,1099 5.494,1100 5.582,1101 6.368,1102 5.158,1103 5.12,1104 7.486,1105 2.117,1106 17.434,1107 5.006,1108 14.649,1109 1.44,1110 1.475,1111 1.491,1112 1.436,1113 1.435,1114 1.857,1115 0.141,1116 3.899,1117 1.389,1118 4.077,1119 4.112,1120 4.046,1121 3.978,1122 7.43,1123 3.989,1124 3.893,1125 3.928,1126 3.825,1127 3.821,1128 5.035,1129 3.817,1130 3.797,1131 3.871,1132 3.657,1133 3.636,1134 4.766,1135 3.63,1136 3.625,1137 3.703,1138 3.492,1139 3.444,1140 4.46,1141 3.442,1142 3.515,1143 3.552,1144 3.448,1145 3.33,1146 4.347,1147 3.359,1148 3.306,1149 3.407,1150 3.135,1151 3.123,1152 4.242,1153 3.089,1154 3.285,1155 3.371,1156 3.04,1157 3.096,1158 3.958,1159 3.089,1160 3.146,1161 3.215,1162 2.985,1163 2.963,1164 3.901,1165 2.964,1166 0.142,1167 0.112,1168 0.205,1169 0.128,1170 0.097,1171 4.557,1172 0.14,1173 3.582,1174 0.033,1175 6.566,1176 0.327,1177 4.083,1178 0.094,1179 3.12,1180 4.486,1181 1.058,1182 10.458,1183 3.006,1184 2.014,1185 1.986,1186 2.088,1187 2.131,1188 1.342,1189 2.117,1190 1.885,1191 1.854,1192 2.011,1193 1.985,1194 1.18,1195 1.995,1196 1.773,1197 1.705,1198 2.004,1199 1.967,1200 1.111,1201 1.984,1202 1.616,1203 1.538,1204 1.886,1205 1.826,1206 1.061,1207 1.851,1208 1.43,1209 1.392,1210 1.725,1211 1.639,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.645,1217 1.584,1218 0.848,1219 1.617,1220 1.292,1221 1.207,1222 1.516,1223 1.527,1224 0.491,1225 1.562,1226 1.096,1227 1.042,1228 1.291,1229 1.335,1230 0.437,1231 1.327,1232 4.174,1233 5.451,1235 6.927,1237 8.495,1239 10.116,1241 6.545,1247 5.387,1248 6.37,1251 0.24,1252 2.429,1257 36.67,1258 86.546,1259 202.768,1260 263.597,1261 305.901,1262 315.51,1263 315.51,1264 55.356,1265 7.356,1266 70.15,1267 70.15,1268 18,1269 12.383,1270 4.248,1271 3.392,1272 55.169,1273 125,1274 140,1275 0.206,1276 230.428,1277 394.01,1278 554.003,1279 15714,1281 21.347,1282 0.712,1283 0.602,1284 21.347,1285 18.059,1286 14.601,1287 0.456,1288 0.335,1289 10.613,1290 14.163,1291 10.289,1292 8.654,1293 14.601,1294 10.724,1295 12.371,1296 0.295,1297 0.177,1298 12.371,1299 7.448,1300 10.188,1301 0.192,1302 0.099,1303 10.188,1304 5.227,1305 8.162,1306 0.124,1307 0.052,1308 8.162,1309 3.463,1310 6.42,1311 0.077,1312 0.026,1313 6.42,1314 2.123,1315 0.326,1316 90.428,1317 0.217,1318 28.607,1319 0.56,1320 148,1321 379.337,1322 160.622,1323 374.48,1324 519.83,1325 352,1326 169,1327 389.608,1328 181.984,1329 395.557,1330 577.32,1331 374,1332 5}
{0 CHEMBL195484,1 1.633,2 12.36,3 4.715,4 22.228,5 106.242,6 7.824,7 0.462,8 3.959,9 4.089,10 3.558,11 3.466,12 4.988,13 3.424,14 4.505,15 4.711,16 3.89,17 3.809,18 5.507,19 3.732,20 4.714,21 4.954,22 3.948,23 3.931,24 5.618,25 3.82,26 4.744,27 4.982,28 3.947,29 3.904,30 5.703,31 3.756,32 4.745,33 5.038,34 3.583,35 3.809,36 5.491,37 3.643,38 4.645,39 4.931,40 3.686,41 3.717,42 5.545,43 3.587,44 4.468,45 4.726,46 3.63,47 3.648,48 5.367,49 3.535,50 4.407,51 4.654,52 3.689,53 3.57,54 5.437,55 3.475,56 0.018,57 0.689,58 10.114,59 4.309,60 6.357,61 5.99,62 0.304,63 1.026,64 21.366,65 7.056,66 26.51,67 9.904,68 0.3,69 1.136,70 31.237,71 8.93,72 29.252,73 12.582,74 0.586,75 1.12,76 37.676,77 9.602,78 48.8,79 13.218,80 0.295,81 1.116,82 30.874,83 9.583,84 30.611,85 13.917,86 0.502,87 1.025,88 30.441,89 7.855,90 42.647,91 11.565,92 0.224,93 0.914,94 22.99,95 6.717,96 24.203,97 9.81,98 0.404,99 0.85,100 23.047,101 5.576,102 36.231,103 8.508,104 26,105 33,106 0.281,107 0.578,108 0.765,109 0.842,110 0.842,111 0.842,112 3.265,113 1.066,114 -5.47,115 -5.35,116 -4.99,119 36.7,120 2,121 1,125 5,138 4,139 1,140 2,141 1,143 1,146 1,163 2,165 2,166 7,169 2,171 1,172 7,176 1,183 3,186 1,187 6,190 2,192 1,194 7,198 1,205 1,208 2,209 6,214 3,217 4,221 1,226 1,230 1,231 9,236 3,238 2,249 1,252 1018,253 16.947,254 16.947,255 16.947,256 16.947,257 16.947,258 15.394,259 25.405,260 10.27,261 17.7,262 12.698,263 12.698,264 12.698,265 12.698,266 12.698,267 10.407,268 35.64,269 4.732,270 13.943,271 3.982,272 2.259,273 1.174,274 0.725,275 0.725,276 0.725,277 3.932,279 2,282 1,283 1,284 628,285 3.674,288 187.456,295 2.186,296 20.164,299 0.75,300 0.83,301 0.83,302 1,303 1,304 1,305 1,306 0.92,307 53.667,308 309,309 4.234,310 3.289,311 6.06,312 3.791,313 2.863,314 3.881,315 1.151,316 8.714,317 2.627,318 4.065,319 2.948,320 5.595,321 3.592,322 2.684,323 3.668,324 0.8,325 7.729,326 2.432,327 3.482,328 2.784,329 5.271,330 3.364,331 2.445,332 2.786,333 0.4,334 6.644,335 2.245,336 3.446,337 2.739,338 5.007,339 3.058,340 2.173,341 2.612,343 6.013,344 1.908,345 3.354,346 2.468,347 4.935,348 2.939,349 2.049,350 2.442,352 5.745,353 1.756,354 2.85,355 2.03,356 4.171,357 2.421,358 1.5,359 1.981,361 3.769,362 1.384,363 2.705,364 1.585,365 3.617,366 2.359,367 1.429,368 1.788,370 3.039,371 1.243,372 2.453,373 1.283,374 3.478,375 2.142,376 1.198,377 1.45,379 2.61,380 1.125,381 1.964,382 1.084,383 3.241,384 1.632,385 0.748,386 0.883,388 1.737,389 0.637,390 1.618,391 0.744,392 2.907,393 1.591,394 0.618,395 0.618,397 1.074,398 0.6,399 1.602,400 0.719,401 2.618,402 1.473,403 0.53,404 0.558,406 0.791,407 0.498,408 1.261,409 0.53,410 2.548,411 0.845,417 0.964,418 0.256,419 2.359,420 0.821,421 -0.135,422 -0.142,424 -0.208,425 -0.129,426 0.798,427 -0.014,428 2.247,429 0.348,430 -0.514,431 -0.621,433 -1.234,434 -0.293,435 0.688,436 -0.258,437 2,438 0.273,439 -0.585,440 -0.681,442 -1.243,443 -0.522,444 12.362,445 0.494,446 0.468,447 0.019,448 29.25,449 1.17,450 13,451 0.52,452 16.25,453 0.65,454 22.399,455 0.896,456 28.438,457 0.58,458 19.02,459 0.761,460 5.673,461 0.227,462 6.445,463 0.258,464 0.196,466 0.235,472 0.791,473 1.629,474 0.622,475 1.116,476 0.705,477 1.043,478 0.964,479 1.035,480 0.693,481 0.835,482 0.644,483 0.892,484 1.151,485 1.036,486 0.909,487 0.888,488 0.927,489 0.892,490 0.974,491 0.986,492 0.966,493 1.068,494 0.955,495 1.096,496 0.742,497 0.995,498 0.581,499 0.826,500 0.699,501 0.854,502 0.844,503 0.776,504 0.713,505 0.739,506 0.803,507 0.765,508 0.953,509 1.133,510 0.7,511 0.813,512 0.875,513 0.833,514 0.964,515 1.069,516 0.8,517 0.852,518 0.926,519 0.869,520 5,521 0.091,522 2.222,523 1.188,524 0.916,525 0.438,526 0.305,527 0.302,528 0.217,529 0.167,530 7610,531 21532,532 1.973,533 49,535 14,537 1,538 1,540 6,541 2,542 1.674,543 1.852,544 3.582,545 -0.277,550 80.023,551 1.633,552 3.356,553 4.441,554 4.89,555 4.89,556 4.89,557 3.083,558 4.404,559 4.613,560 3.786,561 1135.88,562 7.947,563 14973,565 1,568 275.121,569 1.359,570 4.575,571 0.192,572 0.006,573 0.067,574 0.036,575 0.034,576 0.018,577 0.012,578 0.012,579 0.009,580 0.009,581 0.396,582 0.33,583 0.88,584 1.829,585 124.856,586 -0.027,587 -0.328,588 0.019,589 -0.124,590 -0.028,591 -0.054,592 0.057,593 0.114,594 0.059,595 0.086,596 0.188,597 0.043,598 -0.122,599 -0.005,600 0.021,601 0.065,602 0.008,603 0.066,604 0.146,605 0.005,606 0.01,607 -0.102,608 0.102,609 -0.136,610 0.02,611 -0.083,612 0.118,613 0.083,614 0.032,615 0.113,616 0.117,617 0.19,618 0.117,619 0.15,620 0.129,621 0.165,622 -0.066,623 -0.11,624 0.09,625 0.099,626 -0.018,627 0.113,628 0.112,629 -0.001,630 0.084,631 0.04,632 0.151,633 0.044,634 1.172,635 2.206,636 0.48,637 27.126,638 1.002,639 1.136,640 4.238,641 17.965,642 0.665,643 3.296,644 3.526,645 3.689,646 3.807,647 3.932,648 3.871,649 3.85,650 3.97,651 4.025,652 4.078,653 7.372,654 0.617,655 383.36,656 3.296,657 4.779,658 5.572,659 6.392,660 7.198,661 8.022,662 8.834,663 9.66,664 10.476,665 11.305,666 8.2,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 49,705 12,706 1,707 26,709 50,710 18,711 10,712 3,713 3,717 2,718 2,719 2,721 2,727 1,729 10,730 8,747 24,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 2,802 2,805 25,810 6,811 1,812 1,815 1,824 2,825 2,830 1,832 13.5,833 9.219,834 5.861,835 3.227,836 2.22,837 1.334,838 0.932,839 8.586,840 8.865,841 3.497,842 3.989,843 4.437,844 4.875,845 5.329,846 5.269,847 5.307,848 5.635,849 6.003,850 6.328,851 1,852 33,853 9.195,854 3.623,855 7.642,856 17.737,857 13.562,859 2.142,860 53.556,862 1,863 1,864 270.735,865 97.053,866 54.706,867 78.297,868 11,871 97.053,872 360.033,873 54.706,874 17.65,875 15.55,876 37.905,877 63.353,878 33.358,879 6.714,880 258.964,881 78.297,882 270.735,883 151.759,884 11,885 78.297,887 176.567,888 105.169,891 47.271,892 52.906,893 129.879,895 270.735,896 65.706,897 175.35,900 270.735,901 32.45,902 67.727,903 18.011,904 122.868,905 270.735,906 65.706,907 175.35,909 0.558,910 0.32,911 0.156,912 0.075,913 12,914 6,915 0.2,916 10,918 1,919 3.827,920 179.041,922 12,923 112.096,928 20.083,929 10.689,930 6.883,932 65.706,933 8.737,934 8.586,938 3.119,940 18.011,941 511.792,942 32,952 49.102,953 55.658,954 0.291,955 0.598,956 0.791,957 0.871,958 0.871,959 0.871,960 4.682,961 1.198,962 5.509,963 3.039,964 4.205,965 4.673,966 1.595,967 6.196,968 4.016,969 5.83,970 0.748,971 6.997,972 2.61,973 3.611,974 4.311,975 0.325,976 6.862,977 3.214,978 7.09,979 0.618,980 8.577,981 1.737,982 5.687,983 6.739,984 1.613,985 9.848,986 5.326,987 8.382,988 0.53,989 10.21,990 1.074,991 5.889,992 7.165,993 0.268,994 11.296,995 5.324,996 9.705,998 11.877,999 0.791,1000 7.402,1001 9.085,1002 1.779,1003 13.776,1004 6.868,1005 11.047,1006 -0.135,1007 13.566,1009 7.991,1010 9.895,1011 0.188,1012 15.57,1013 7.275,1014 12.406,1015 -0.514,1016 15.271,1017 -0.208,1018 9.25,1019 11.577,1020 1.991,1021 17.858,1022 8.54,1023 2.863,1024 -0.585,1025 16.989,1026 -1.234,1027 10.043,1028 12.6,1029 0.125,1030 19.822,1031 9.174,1032 2.684,1033 8.714,1034 18.716,1035 -1.243,1036 11.181,1037 14.148,1038 2.225,1039 22.03,1040 10.292,1041 2.445,1042 7.729,1043 20.451,1044 3.881,1045 12.083,1046 15.296,1047 0.082,1048 24.082,1049 11.057,1050 2.173,1051 6.644,1052 22.193,1053 3.668,1054 13.162,1055 16.764,1056 2.473,1057 26.256,1058 12.096,1059 2.049,1060 6.013,1061 23.941,1062 2.786,1063 14.124,1064 17.987,1065 0.054,1066 28.354,1067 12.936,1068 1.5,1069 5.745,1070 25.695,1071 2.612,1072 15.176,1073 19.407,1074 2.73,1075 30.515,1076 13.933,1077 1.429,1078 3.769,1079 27.453,1080 2.442,1081 16.17,1082 20.676,1083 0.035,1084 32.639,1085 14.818,1086 7719,1087 13327,1088 16.989,1089 32.569,1090 36.53,1091 37.466,1092 37.972,1093 36.84,1094 36.473,1095 45.335,1096 4.702,1097 95.728,1098 32.912,1099 5.153,1100 5.289,1101 5.761,1102 4.876,1103 4.863,1104 6.881,1105 2.302,1106 14.956,1107 4.627,1108 13.526,1109 1.405,1110 1.441,1111 1.46,1112 1.417,1113 1.403,1114 1.744,1115 0.181,1116 3.682,1117 1.266,1118 3.945,1119 3.973,1120 4.094,1121 3.883,1122 5.073,1123 3.874,1124 3.841,1125 3.889,1126 3.817,1127 3.662,1128 4.993,1129 3.687,1130 3.746,1131 3.817,1132 3.617,1133 3.556,1134 4.633,1135 3.561,1136 3.477,1137 3.557,1138 3.592,1139 3.297,1140 4.441,1141 3.284,1142 3.306,1143 3.407,1144 3.308,1145 3.123,1146 4.326,1147 3.089,1148 3.221,1149 3.262,1150 3.193,1151 3.06,1152 4.098,1153 3.055,1154 3.022,1155 3.122,1156 3.04,1157 2.8,1158 4.046,1159 2.798,1160 2.879,1161 2.922,1162 2.895,1163 2.79,1164 3.892,1165 2.767,1166 0.163,1167 0.127,1168 0.233,1169 0.146,1170 0.11,1171 4.234,1172 0.149,1173 3.289,1174 0.044,1175 6.06,1176 0.335,1177 3.791,1178 0.101,1179 2.863,1180 3.881,1181 1.151,1182 8.714,1183 2.627,1184 1.895,1185 1.88,1186 1.986,1187 2.007,1188 1.273,1189 1.997,1190 1.766,1191 1.707,1192 1.96,1193 1.957,1194 1.133,1195 1.971,1196 1.697,1197 1.634,1198 1.844,1199 1.902,1200 1.042,1201 1.894,1202 1.481,1203 1.403,1204 1.751,1205 1.694,1206 0.869,1207 1.722,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.767,1213 1.638,1214 1.163,1215 1.121,1216 1.397,1217 1.396,1218 0.577,1219 1.401,1220 1.002,1221 0.904,1222 1.34,1223 1.282,1224 0.524,1225 1.31,1226 0.868,1227 0.824,1228 1.097,1229 1.017,1230 0.186,1231 1.06,1232 3.97,1233 5.22,1235 6.658,1237 8.18,1239 9.744,1241 4.349,1242 12.044,1247 5.395,1248 3.233,1249 5.706,1252 2.387,1257 30.25,1258 80.023,1259 164.452,1260 217.611,1261 239.611,1262 239.611,1263 239.611,1264 44.088,1265 6.645,1266 50.28,1267 50.28,1268 12,1269 11.882,1270 3.7,1271 2.807,1272 52.03,1273 110,1274 101,1275 0.226,1276 198.921,1277 340.81,1278 477.126,1279 6783,1280 4.1,1281 18.071,1282 0.723,1283 0.646,1284 19.071,1285 16.147,1286 12.118,1287 0.466,1288 0.355,1289 8.423,1290 11.066,1291 8.122,1292 6.779,1293 12.695,1294 9.236,1295 10.099,1296 0.306,1297 0.194,1298 10.878,1299 6.394,1300 8.076,1301 0.207,1302 0.114,1303 8.691,1304 4.436,1305 6.096,1306 0.139,1307 0.064,1308 6.792,1309 2.804,1310 4.37,1311 0.087,1312 0.032,1313 4.728,1314 1.575,1315 0.369,1316 81.894,1317 0.243,1318 25.105,1319 0.582,1320 118,1321 357.411,1322 160.436,1323 402.282,1324 526.47,1325 376,1326 131,1327 335.265,1328 163.617,1329 356.613,1330 516.99,1331 335,1332 5.097}
{0 CHEMBL195665,1 1.273,2 11.571,3 5.247,4 27.531,5 117.596,6 6.277,7 0.567,8 4.139,9 4.285,10 3.561,11 3.68,12 5.09,13 3.616,14 4.696,15 4.916,16 3.86,17 4.046,18 5.561,19 3.948,20 4.963,21 5.229,22 3.906,23 4.184,24 5.752,25 4.059,26 5.017,27 5.289,28 3.866,29 4.198,30 5.786,31 4.045,32 5.068,33 5.364,34 3.832,35 4.195,36 5.812,37 4.037,38 5.012,39 5.296,40 3.834,41 4.197,42 5.744,43 4.041,44 4.991,45 5.255,46 3.786,47 4.212,48 5.768,49 4.046,50 5.038,51 5.335,52 3.674,53 4.171,54 5.743,55 3.976,56 0.073,57 0.869,58 14.324,59 5.627,60 10.601,61 8.336,62 0.223,63 1.393,64 25.254,65 9.038,66 22.165,67 13.714,68 0.277,69 1.698,70 32.955,71 10.87,72 28.947,73 17.087,74 0.264,75 1.743,76 34.426,77 12.207,78 31.907,79 18.721,80 0.332,81 1.782,82 36.38,83 12.162,84 36.245,85 18.991,86 0.248,87 1.699,88 34.094,89 12.286,90 29.581,91 18.753,92 0.267,93 1.701,94 33.489,95 12.373,96 31.949,97 18.642,98 0.23,99 1.672,100 34.678,101 13.125,102 31.859,103 19.725,104 20,105 39,106 0.207,107 0.504,108 0.69,109 0.805,110 0.831,111 0.831,112 3.374,113 1.048,114 -6.15,115 -5.99,116 -5.57,119 40,120 3,121 3,125 3,127 1,138 9,139 2,142 1,143 1,145 1,163 12,165 1,166 8,169 1,171 3,172 13,176 6,181 2,183 8,187 9,190 1,192 3,194 8,198 7,201 1,203 2,205 9,209 4,214 2,217 14,220 1,221 2,226 4,227 18,231 1,236 1,238 14,241 1,242 5,249 12,252 1450,253 19.309,254 19.309,255 19.309,256 19.309,257 19.309,258 17.298,259 24.86,260 11.781,261 19.675,262 14.736,263 14.736,264 14.736,265 14.736,266 14.736,267 11.785,268 38.765,269 5.498,270 15.263,271 4.634,272 2.811,273 1.67,274 0.965,275 0.804,276 0.804,277 4.061,282 1,283 1,284 679,285 3.937,288 239.966,292 131.439,295 1.827,296 13.374,299 0.75,300 0.67,301 0.83,302 1,303 1,304 1,305 1,306 0.89,307 58,308 324,309 4.538,310 3.188,311 6.544,312 4.057,313 3.094,314 4.474,315 0.8,316 10.384,317 2.984,318 3.946,319 2.857,320 5.554,321 3.581,322 2.59,323 3.483,324 0.68,325 7.598,326 2.567,327 3.599,328 2.784,329 5.35,330 3.412,331 2.472,332 3.013,333 0.4,334 6.823,335 2.334,336 3.533,337 2.52,338 5.269,339 3.299,340 2.359,341 2.888,343 6.63,344 2.2,345 3.444,346 2.22,347 5.031,348 3.075,349 2.114,350 2.457,352 6.033,353 2.025,354 3.171,355 1.98,356 4.86,357 2.886,358 1.925,359 2.23,361 5.444,362 1.847,363 2.927,364 1.523,365 3.871,366 2.456,367 1.462,368 2.123,370 3.196,371 1.452,372 2.836,373 1.391,374 3.6,375 2.352,376 1.362,377 1.991,379 2.963,380 1.347,381 2.5,382 1.255,383 3.573,384 2.157,385 1.177,386 1.5,388 2.711,389 1.152,390 2.457,391 1.028,392 3.348,393 2,394 1,395 1.442,397 2.228,398 1,399 2.125,400 1,401 3.247,402 1.944,403 0.967,404 1.11,406 2.136,407 0.943,408 1.618,409 0.744,410 2.873,411 1.591,412 0.618,413 0.618,415 0.791,416 0.6,417 1.412,418 0.297,419 2.829,420 1.121,421 0.158,422 0.167,424 0.298,425 0.152,426 1.221,427 0.264,428 2.618,429 1.029,430 0.053,431 0.067,433 0.134,434 0.052,435 1.047,436 -0.022,437 2.537,438 0.801,439 -0.147,440 -0.17,442 -0.339,443 -0.139,444 13.6,445 0.486,446 0.482,447 0.017,448 33.75,449 1.205,450 16.5,451 0.589,452 17.25,453 0.616,454 26.528,455 0.947,456 30.8,457 0.513,458 22.749,459 0.812,460 6.319,461 0.226,462 7.371,463 0.263,464 0.11,466 0.25,472 0.98,473 1.427,474 0.983,475 1.195,476 1,477 1.107,478 1.127,479 1.181,480 1.002,481 1.058,482 0.792,483 1.027,484 1.551,485 1.019,486 1.028,487 0.901,488 1.12,489 0.919,490 1.048,491 1.156,492 0.998,493 1.062,494 0.895,495 1.032,496 1.364,497 0.887,498 0.975,499 0.841,500 1.232,501 0.871,502 1.1,503 0.943,504 0.931,505 0.897,506 0.958,507 0.901,508 1.168,509 1.034,510 1.149,511 1.09,512 1.179,513 1.113,514 0.88,515 0.96,516 0.974,517 0.99,518 0.976,519 0.99,520 5,521 0.111,522 2,523 1.688,524 1.018,525 0.806,526 0.567,527 0.306,528 0.209,529 0.197,530 9738,531 18316,532 2.055,533 53.3,535 16,538 1,539 2,540 13,542 1.713,543 1.953,544 3.493,545 -0.429,550 76.374,551 1.273,552 3.096,553 4.237,554 4.942,555 5.102,556 5.102,557 2.942,558 4.111,559 4.773,560 3.684,561 1392.51,562 8.316,563 18951.8,568 354.413,569 1.255,570 4.752,571 0.167,572 0.005,573 0.051,574 0.042,575 0.028,576 0.022,577 0.015,578 0.009,579 0.007,580 0.007,581 0.353,582 0.33,583 0.88,584 1.819,585 141.923,586 0.058,587 -0.183,588 0.057,589 -0.058,590 -0.011,591 -0.01,592 0.153,593 -0.043,594 0.032,595 -0.032,596 0.203,597 -0.013,598 -0.143,599 0.051,600 0.001,601 0.059,602 -0.011,603 0.044,604 0.07,605 -0.14,606 0.001,607 -0.083,608 0.15,609 -0.052,610 -0.058,611 0.113,612 0.034,613 0.093,614 -0.032,615 0.074,616 -0.042,617 0.05,618 0.06,619 0.079,620 0.05,621 0.078,622 -0.105,623 -0.001,624 -0.153,625 -0.092,626 -0.123,627 -0.121,628 -0.028,629 -0.017,630 -0.008,631 -0.007,632 -0.067,633 -0.006,634 0.96,635 1.879,636 0.571,637 30.628,638 0.98,639 1.13,640 4.919,641 24.192,642 0.645,643 3.434,644 3.689,645 3.912,646 4.143,647 4.357,648 4.419,649 4.543,650 4.682,651 4.754,652 4.745,653 6.945,654 0.591,655 376.6,656 3.434,657 4.934,658 5.753,659 6.6,660 7.438,661 8.297,662 9.146,663 10.014,664 10.87,665 11.744,666 6.7,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 60,705 17,706 2,707 30,709 62,710 24,711 14,712 3,713 9,717 3,718 4,721 3,727 4,729 14,730 10,747 32,748 4,749 1,750 4,755 4,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,805 28,810 6,811 1,814 1,815 1,832 14.333,833 11.433,834 6.472,835 4.132,836 3.24,837 1.447,838 0.959,839 7.53,840 10.49,841 3.676,842 4.22,843 4.777,844 5.371,845 5.953,846 6.202,847 6.62,848 7.072,849 7.452,850 7.578,851 0.875,852 40,853 10.365,854 4.165,855 7.399,856 20.618,857 16.522,859 1.899,860 53.167,864 364.904,865 138.241,866 54.706,871 138.241,872 364.904,873 54.706,874 26.476,875 13.921,876 85.286,877 51.582,878 13.355,879 2.328,880 364.904,882 364.904,883 192.947,887 214.208,888 153.024,891 45.665,892 93.373,893 51.582,895 364.904,896 54.706,897 138.241,900 364.904,901 26.479,902 114.886,903 18.011,904 33.571,905 364.904,906 54.706,907 138.241,909 0.557,910 0.322,911 0.172,912 0.09,913 16,914 7,915 0.161,916 10,917 1,918 1.125,919 4.03,920 228.082,921 0.125,922 16,923 126.606,928 20.449,929 10.311,930 5.854,931 2.094,932 54.706,933 18.688,934 9.667,938 3.047,940 18.011,941 557.851,942 38.5,952 58.778,953 67.806,954 0.215,955 0.524,956 0.717,957 0.837,958 0.864,959 0.864,960 4.869,961 1.362,962 5.694,963 3.196,964 4.369,965 4.905,966 1.165,967 6.431,968 4.301,969 6.032,970 1.177,971 7.2,972 2.963,973 3.761,974 4.543,975 0.325,976 7.182,977 3.635,978 7.303,979 1,980 8.805,981 2.711,982 5.883,983 7.069,984 0.662,985 10.269,986 5.74,987 8.611,988 0.967,989 10.47,990 2.228,991 6.111,992 7.601,993 0.268,994 11.888,995 5.911,996 9.955,997 0.618,998 12.177,999 2.136,1000 7.659,1001 9.576,1002 0.39,1003 14.486,1004 7.445,1005 11.326,1006 0.158,1007 13.914,1008 0.791,1009 8.309,1010 10.58,1011 0.188,1012 16.501,1013 8.045,1014 12.719,1015 0.053,1016 15.673,1017 0.298,1018 9.602,1019 12.297,1020 0.233,1021 18.931,1022 9.32,1023 3.094,1024 -0.147,1025 17.45,1026 0.134,1027 10.477,1028 13.551,1029 0.125,1030 21.128,1031 10.151,1032 2.59,1033 10.384,1034 19.242,1035 -0.339,1036 11.658,1037 15.146,1038 0.14,1039 23.5,1040 11.309,1041 2.472,1042 7.598,1043 21.047,1044 4.474,1045 12.652,1046 16.527,1047 0.082,1048 25.778,1049 12.261,1050 2.359,1051 6.823,1052 22.864,1053 3.483,1054 13.788,1055 18.066,1056 0.085,1057 28.129,1058 13.369,1059 2.114,1060 6.63,1061 24.69,1062 3.013,1063 14.844,1064 19.507,1065 0.054,1066 30.441,1067 14.386,1068 1.925,1069 6.033,1070 26.524,1071 2.888,1072 15.965,1073 21.022,1074 0.052,1075 32.785,1076 15.475,1077 1.462,1078 5.444,1079 28.365,1080 2.457,1081 17.053,1082 22.493,1083 0.035,1084 35.113,1085 16.525,1086 9603,1087 13380,1088 20.167,1089 38.682,1090 42.848,1091 42.961,1092 44.336,1093 42.761,1094 42.703,1095 55.126,1096 3.76,1097 114.738,1098 41.311,1099 5.475,1100 5.188,1101 6.346,1102 5.132,1103 5.094,1104 7.474,1105 1.48,1106 17.359,1107 4.984,1108 12.313,1109 1.428,1110 1.432,1111 1.478,1112 1.425,1113 1.423,1114 1.838,1115 0.125,1116 3.825,1117 1.377,1118 4.081,1119 4.118,1120 4.045,1121 3.989,1122 5.054,1123 3.997,1124 3.888,1125 3.919,1126 3.815,1127 3.835,1128 4.74,1129 3.827,1130 3.798,1131 3.871,1132 3.657,1133 3.636,1134 4.467,1135 3.63,1136 3.625,1137 3.703,1138 3.479,1139 3.444,1140 4.351,1141 3.44,1142 3.444,1143 3.502,1144 3.352,1145 3.302,1146 4.249,1147 3.308,1148 3.306,1149 3.407,1150 3.074,1151 3.123,1152 3.957,1153 3.089,1154 3.269,1155 3.36,1156 3.04,1157 3.092,1158 3.892,1159 3.075,1160 3.079,1161 3.15,1162 2.918,1163 2.953,1164 3.752,1165 2.938,1166 0.151,1167 0.106,1168 0.218,1169 0.135,1170 0.103,1171 4.538,1172 0.149,1173 3.188,1174 0.027,1175 6.544,1176 0.346,1177 4.057,1178 0.099,1179 3.094,1180 4.474,1181 0.8,1182 10.384,1183 2.984,1184 2.024,1185 1.995,1186 2.103,1187 2.135,1188 1.343,1189 2.126,1190 1.898,1191 1.87,1192 2.027,1193 1.98,1194 1.214,1195 1.999,1196 1.773,1197 1.705,1198 2.002,1199 1.963,1200 1.136,1201 1.981,1202 1.616,1203 1.538,1204 1.886,1205 1.826,1206 1.105,1207 1.851,1208 1.418,1209 1.363,1210 1.725,1211 1.591,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.646,1217 1.584,1218 0.848,1219 1.604,1220 1.291,1221 1.204,1222 1.583,1223 1.516,1224 0.723,1225 1.555,1226 1.087,1227 1.028,1228 1.317,1229 1.273,1230 0.438,1231 1.297,1232 4.111,1233 5.38,1235 6.849,1237 8.413,1239 10.031,1241 6.703,1247 6.466,1248 3.651,1251 0.374,1252 2.477,1257 35.461,1258 76.374,1259 185.738,1260 254.235,1261 296.539,1262 306.149,1263 306.149,1264 42.556,1265 7.25,1266 41.05,1267 41.05,1268 18,1269 12.289,1270 4.17,1271 3.248,1272 49.586,1273 111,1274 124,1275 0.208,1276 222.564,1277 376.86,1278 534.817,1279 13670,1281 19.769,1282 0.706,1283 0.62,1284 19.769,1285 17.358,1286 13.69,1287 0.456,1288 0.349,1289 10.397,1290 13.378,1291 10.045,1292 8.45,1293 13.69,1294 10.477,1295 11.5,1296 0.295,1297 0.189,1298 11.5,1299 7.382,1300 9.406,1301 0.192,1302 0.107,1303 9.406,1304 5.244,1305 7.721,1306 0.125,1307 0.057,1308 7.721,1309 3.559,1310 5.994,1311 0.078,1312 0.029,1313 5.994,1314 2.211,1315 0.329,1316 83.978,1317 0.223,1318 27.01,1319 0.565,1320 138,1321 301.268,1322 146.354,1323 303.551,1324 430.43,1325 288,1326 157,1327 327.718,1328 165.493,1329 335.518,1330 487.88,1331 318,1332 5}
{0 CHEMBL195698,1 1.285,2 10.963,3 5.212,4 27.167,5 113.047,6 6.361,7 0.586,8 4.092,9 4.237,10 3.527,11 3.635,12 5.057,13 3.574,14 4.643,15 4.861,16 3.831,17 3.998,18 5.527,19 3.906,20 4.907,21 5.171,22 3.898,23 4.133,24 5.716,25 4.017,26 4.958,27 5.228,28 3.856,29 4.145,30 5.764,31 4.008,32 5.005,33 5.295,34 3.816,35 4.161,36 5.761,37 4.01,38 4.96,39 5.236,40 3.801,41 4.174,42 5.704,43 4.02,44 4.955,45 5.217,46 3.733,47 4.181,48 5.737,49 4.01,50 4.986,51 5.282,52 3.539,53 4.104,54 5.689,55 3.891,56 0.068,57 0.83,58 13.482,59 5.288,60 10.247,61 7.817,62 0.216,63 1.33,64 23.833,65 8.465,66 21.89,67 12.836,68 0.253,69 1.617,70 31.1,71 10.276,72 28.199,73 16.109,74 0.278,75 1.67,76 32.677,77 11.061,78 32.904,79 17.168,80 0.308,81 1.692,82 34.199,83 11.674,84 34.121,85 18.036,86 0.233,87 1.63,88 32.375,89 11.926,90 28.035,91 18.012,92 0.247,93 1.638,94 32.201,95 12.209,96 31.53,97 18.206,98 0.214,99 1.579,100 32.995,101 12.63,102 31.362,103 18.89,104 20,105 38,106 0.211,107 0.507,108 0.676,109 0.799,110 0.826,111 0.826,112 3.34,113 1.037,114 -6.21,115 -6.05,116 -5.62,119 40.4,120 3,121 2,125 3,127 1,138 9,139 2,142 1,143 1,145 1,163 11,165 1,166 8,169 1,171 3,172 11,176 8,181 2,183 6,187 9,190 1,192 3,194 7,198 5,201 1,203 3,205 11,209 2,214 2,217 16,220 1,221 2,226 3,227 19,231 1,238 11,241 1,242 5,249 7,252 1278,253 18.654,254 18.654,255 18.654,256 18.654,257 18.654,258 16.707,259 17.584,260 11.328,261 19.013,262 14.224,263 14.224,264 14.224,265 14.224,266 14.224,267 11.351,268 26.553,269 5.25,270 14.743,271 4.548,272 2.755,273 1.722,274 0.98,275 0.812,276 0.812,277 4.026,282 1,283 1,284 623,285 3.808,288 222.725,292 123.763,295 1.599,296 12.629,299 0.75,300 0.83,301 0.83,302 1,303 0.5,304 1,305 1,306 0.85,307 56,308 296,309 4.561,310 3.168,311 6.572,312 4.087,313 3.124,314 4.492,315 0.8,316 10.487,317 3.009,318 4.079,319 2.786,320 6.074,321 3.68,322 2.696,323 3.677,324 0.4,325 8.799,326 2.654,327 3.592,328 2.718,329 5.35,330 3.411,331 2.472,332 2.937,334 6.823,335 2.334,336 3.446,337 2.509,338 5.269,339 3.298,340 2.358,341 2.709,343 6.63,344 2.2,345 3.32,346 1.987,347 4.861,348 2.899,349 1.937,350 2.457,352 5.444,353 1.861,354 3.17,355 1.829,356 4.539,357 2.799,358 1.827,359 2.23,361 4.674,362 1.773,363 2.921,364 1.433,365 3.836,366 2.423,367 1.432,368 2.123,370 3.143,371 1.418,372 2.653,373 1.259,374 3.6,375 2.184,376 1.201,377 1.725,379 2.798,380 1.178,381 2.5,382 1.152,383 3.472,384 2.1,385 1.124,386 1.5,388 2.51,389 1.095,390 2.388,391 1,392 3.335,393 2,394 1,395 1.348,397 2.143,398 1,399 2.122,400 0.934,401 3.247,402 1.87,403 0.895,404 1.1,406 2.136,407 0.871,408 1.618,409 0.744,410 2.855,411 1.591,412 0.618,413 0.618,415 0.791,416 0.6,417 1.322,418 0.287,419 2.618,420 1.121,421 0.158,422 0.166,424 0.294,425 0.152,426 1.103,427 -0.011,428 2.568,429 0.849,430 -0.1,431 -0.12,433 -0.224,434 -0.094,435 0.957,436 -0.395,437 2.515,438 0.535,439 -0.426,440 -0.539,442 -0.978,443 -0.409,444 13.1,445 0.485,446 0.465,447 0.017,448 33.25,449 1.231,450 16.5,451 0.611,452 16.75,453 0.62,454 24.703,455 0.915,456 29.5,457 0.518,458 22.495,459 0.833,460 6.219,461 0.23,462 6.988,463 0.259,464 0.115,466 0.26,472 0.978,473 1.423,474 0.965,475 1.183,476 1.004,477 1.091,478 1.132,479 1.168,480 0.983,481 1.036,482 0.764,483 1.004,484 1.415,485 1.058,486 0.954,487 0.892,488 0.901,489 0.887,490 1.249,491 1.108,492 1.005,493 0.996,494 1.04,495 0.983,496 1.27,497 0.862,498 0.951,499 0.83,500 1.158,501 0.859,502 1.064,503 0.925,504 0.964,505 0.921,506 0.939,507 0.932,508 1.044,509 1.043,510 1.16,511 1.132,512 1.141,513 1.151,514 0.835,515 1.023,516 1.052,517 1.09,518 1.074,519 1.089,520 4.5,521 0.132,522 2.444,523 1.438,524 1.098,525 0.931,526 0.469,527 0.304,528 0.176,529 0.151,530 8609,531 16407,532 2.057,533 52.6,535 16,538 1,540 13,542 1.703,543 1.952,544 3.411,545 -0.419,550 73.226,551 1.285,552 3.078,553 4.11,554 4.853,555 5.021,556 5.021,557 2.89,558 4.459,559 4.721,560 3.601,561 1263.96,562 8.212,563 16555.5,568 332.475,569 1.277,570 4.698,571 0.155,572 0.007,573 0.064,574 0.036,575 0.03,576 0.026,577 0.013,578 0.009,579 0.007,580 0.007,581 0.354,582 0.33,583 0.88,584 1.863,585 134.543,586 0.053,587 -0.19,588 0.058,589 -0.06,590 -0.026,591 -0.011,592 0.152,593 -0.032,594 0.043,595 -0.019,596 0.229,597 -0.001,598 -0.068,600 0.067,601 0.068,602 0.148,603 0.077,604 0.013,605 -0.074,606 0.005,607 -0.035,608 0.12,609 -0.019,610 -0.046,611 0.136,612 0.052,613 0.116,614 -0.013,615 0.096,616 -0.076,617 0.071,618 0.021,619 0.069,620 -0.003,621 0.055,622 -0.094,623 -0.027,624 -0.178,625 -0.125,626 -0.14,627 -0.153,628 -0.046,629 -0.093,630 -0.092,631 -0.104,632 -0.173,633 -0.102,634 0.97,635 1.854,636 0.593,637 27.16,638 0.981,639 1.13,640 4.975,641 24.755,642 0.648,643 3.401,644 3.664,645 3.912,646 4.143,647 4.382,648 4.466,649 4.615,650 4.7,651 4.779,652 4.718,653 6.608,654 0.595,655 362.57,656 3.401,657 4.905,658 5.733,659 6.586,660 7.437,661 8.303,662 9.165,663 10.04,664 10.91,665 11.79,666 7,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 57,705 17,706 2,707 29,709 59,710 23,711 14,712 3,713 9,717 3,718 4,721 3,727 3,729 14,730 9,747 30,748 4,749 1,750 4,755 4,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,805 27,810 5,811 1,814 1,815 1,832 13.833,833 10.933,834 6.25,835 3.944,836 3.275,837 1.455,838 0.962,839 6.919,840 10.469,841 3.651,842 4.205,843 4.802,844 5.412,845 6.032,846 6.359,847 6.851,848 7.278,849 7.685,850 7.825,851 1,852 40,853 9.985,854 4.023,855 7.414,856 19.801,857 15.857,859 1.914,860 51.667,864 341.362,865 135.707,866 54.706,871 135.707,872 341.362,873 54.706,874 26.476,875 11.386,876 85.286,877 51.582,878 13.355,879 2.328,880 341.362,882 341.362,883 190.413,887 190.666,888 153.024,891 43.13,892 93.373,893 51.582,895 341.362,896 54.706,897 135.707,900 341.362,901 23.945,902 114.886,903 18.011,904 33.571,905 341.362,906 54.706,907 135.707,909 0.558,910 0.329,911 0.175,912 0.093,913 16,914 7,915 0.153,916 9,917 1,918 1.125,919 3.905,920 220.055,921 0.125,922 16,923 120.382,928 19.475,929 9.592,930 5.124,931 2.053,932 54.706,933 18.401,934 9.617,938 2.738,940 18.011,941 531.775,942 37.5,952 55.894,953 64.391,954 0.22,955 0.528,956 0.705,957 0.832,958 0.861,959 0.861,960 4.846,961 1.201,962 5.68,963 3.143,964 4.344,965 4.89,966 0.824,967 6.441,968 4.273,969 6.015,970 1.124,971 7.203,972 2.798,973 3.761,974 4.543,975 0.325,976 7.261,977 3.635,978 7.292,979 1,980 8.828,981 2.51,982 5.878,983 7.077,984 0.413,985 10.357,986 5.731,987 8.611,988 0.895,989 10.518,990 2.143,991 6.155,992 7.645,993 0.268,994 12.042,995 5.954,996 9.967,997 0.618,998 12.249,999 2.136,1000 7.691,1001 9.614,1002 0.246,1003 14.645,1004 7.473,1005 11.351,1006 0.158,1007 14.01,1008 0.791,1009 8.389,1010 10.648,1011 0.188,1012 16.694,1013 8.122,1014 12.758,1015 -0.1,1016 15.793,1017 0.294,1018 9.676,1019 12.358,1020 0.157,1021 19.125,1022 9.389,1023 3.124,1024 -0.426,1025 17.592,1026 -0.224,1027 10.587,1028 13.63,1029 0.125,1030 21.335,1031 10.256,1032 2.696,1033 10.487,1034 19.403,1035 -0.978,1036 11.768,1037 15.22,1038 0.102,1039 23.705,1040 11.412,1041 2.472,1042 8.799,1043 21.225,1044 4.492,1045 12.787,1046 16.609,1047 0.082,1048 25.986,1049 12.389,1050 2.358,1051 6.823,1052 23.055,1053 3.677,1054 13.927,1055 18.145,1056 0.067,1057 28.335,1058 13.5,1059 1.937,1060 6.63,1061 24.892,1062 2.937,1063 14.999,1064 19.591,1065 0.054,1066 30.648,1067 14.533,1068 1.827,1069 5.444,1070 26.734,1071 2.709,1072 16.126,1073 21.104,1074 0.043,1075 32.992,1076 15.626,1077 1.432,1078 4.674,1079 28.582,1080 2.457,1081 17.227,1082 22.578,1083 0.035,1084 35.321,1085 16.688,1086 8511,1087 11973,1088 19.474,1089 36.921,1090 41.762,1091 41.817,1092 43.124,1093 41.734,1094 41.684,1095 54.163,1096 2.4,1097 113.343,1098 40.288,1099 5.498,1100 5.168,1101 6.374,1102 5.161,1103 5.124,1104 7.492,1105 1.2,1106 17.463,1107 5.009,1108 11.972,1109 1.44,1110 1.442,1111 1.487,1112 1.439,1113 1.437,1114 1.868,1115 0.083,1116 3.908,1117 1.389,1118 4.088,1119 4.123,1120 4.055,1121 3.997,1122 5.071,1123 4.006,1124 3.853,1125 3.884,1126 3.784,1127 3.803,1128 4.719,1129 3.795,1130 3.798,1131 3.871,1132 3.657,1133 3.636,1134 4.445,1135 3.63,1136 3.625,1137 3.703,1138 3.477,1139 3.443,1140 4.346,1141 3.439,1142 3.37,1143 3.434,1144 3.281,1145 3.218,1146 4.238,1147 3.228,1148 3.306,1149 3.407,1150 3.046,1151 3.123,1152 3.956,1153 3.089,1154 3.245,1155 3.334,1156 3.04,1157 3.066,1158 3.892,1159 3.047,1160 3.006,1161 3.073,1162 2.88,1163 2.879,1164 3.746,1165 2.873,1166 0.157,1167 0.109,1168 0.227,1169 0.141,1170 0.108,1171 4.561,1172 0.155,1173 3.168,1174 0.028,1175 6.572,1176 0.362,1177 4.087,1178 0.104,1179 3.124,1180 4.492,1181 0.8,1182 10.487,1183 3.009,1184 2.03,1185 2.002,1186 2.103,1187 2.138,1188 1.342,1189 2.128,1190 1.865,1191 1.838,1192 2.011,1193 1.972,1194 1.192,1195 1.989,1196 1.772,1197 1.705,1198 1.985,1199 1.937,1200 1.115,1201 1.955,1202 1.616,1203 1.538,1204 1.886,1205 1.826,1206 1.058,1207 1.851,1208 1.351,1209 1.28,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.343,1215 1.256,1216 1.645,1217 1.549,1218 0.848,1219 1.581,1220 1.255,1221 1.175,1222 1.436,1223 1.461,1224 0.461,1225 1.469,1226 0.995,1227 0.941,1228 1.261,1229 1.187,1230 0.436,1231 1.206,1232 4.078,1233 5.352,1235 6.834,1237 8.413,1239 10.048,1241 6.688,1247 5.698,1248 3.635,1251 0.363,1252 2.473,1257 33.934,1258 73.226,1259 175.468,1260 234.297,1261 276.6,1262 286.21,1263 286.21,1264 39.223,1265 7.194,1266 41.05,1267 41.05,1268 18,1269 12.329,1270 4.17,1271 3.248,1272 46.892,1273 102,1274 116,1275 0.216,1276 212.972,1277 359.56,1278 511.412,1279 12374,1281 19.062,1282 0.706,1283 0.617,1284 19.062,1285 16.651,1286 13.207,1287 0.455,1288 0.346,1289 9.94,1290 12.898,1291 9.609,1292 8.091,1293 13.207,1294 10.02,1295 11.052,1296 0.291,1297 0.184,1298 11.052,1299 6.993,1300 9.27,1301 0.189,1302 0.103,1303 9.27,1304 5.024,1305 7.546,1306 0.122,1307 0.054,1308 7.546,1309 3.369,1310 5.964,1311 0.075,1312 0.027,1313 5.964,1314 2.096,1315 0.339,1316 81.079,1317 0.227,1318 26.054,1319 0.591,1320 134,1321 297.268,1322 142.354,1323 299.438,1324 426.67,1325 284,1326 154,1327 327.718,1328 162.826,1329 335.267,1330 490.68,1331 318,1332 4.602}
{0 CHEMBL195751,1 1.273,2 12.194,3 6.121,4 37.462,5 129.497,6 6.55,7 0.647,8 4.201,9 4.339,10 3.669,11 3.777,12 5.178,13 3.718,14 4.751,15 4.956,16 3.997,17 4.159,18 5.652,19 4.074,20 5.022,21 5.271,22 4.077,23 4.31,24 5.858,25 4.2,26 5.085,27 5.344,28 4.012,29 4.316,30 5.904,31 4.178,32 5.119,33 5.404,34 3.959,35 4.297,36 5.883,37 4.147,38 5.054,39 5.326,40 3.965,41 4.279,42 5.831,43 4.14,44 5.041,45 5.294,46 3.942,47 4.302,48 5.863,49 4.156,50 5.081,51 5.357,52 3.833,53 4.279,54 5.834,55 4.103,56 0.071,57 0.905,58 14.497,59 5.931,60 11.013,61 8.552,62 0.222,63 1.494,64 25.959,65 9.752,66 23.084,67 14.352,68 0.262,69 1.864,70 34.536,71 12.256,72 31.053,73 18.47,74 0.291,75 1.943,76 36.817,77 13.314,78 36.195,79 19.963,80 0.317,81 1.95,82 38.339,83 13.751,84 37.365,85 20.686,86 0.256,87 1.846,88 35.675,89 13.103,90 32.649,91 19.606,92 0.281,93 1.858,94 35.112,95 13.062,96 35.822,97 19.383,98 0.238,99 1.848,100 36.494,101 14.131,102 34.457,103 20.861,104 20,105 46,106 0.203,107 0.496,108 0.67,109 0.799,110 0.835,111 0.852,112 3.472,113 1.008,114 -6.88,115 -6.69,116 -6.19,119 42.9,120 3,121 2,125 3,127 1,138 11,139 4,142 1,143 1,145 1,163 16,165 1,166 8,169 1,171 3,172 19,176 8,181 2,183 15,187 9,190 1,192 3,194 13,198 7,201 1,203 3,205 13,209 6,214 2,217 16,220 1,221 4,226 4,227 21,231 1,236 2,238 17,241 1,242 5,247 1,249 16,252 1814,253 21.463,254 21.463,255 21.463,256 21.463,257 21.463,258 19.001,259 17.584,260 12.824,261 21.822,262 16.695,263 16.695,264 16.695,265 16.695,266 16.695,267 12.996,268 26.553,269 5.958,270 17.214,271 4.704,272 2.87,273 1.779,274 0.969,275 0.746,276 0.639,277 4.172,283 1,284 812,285 3.937,288 312.705,292 265.239,295 1.967,296 14.571,299 0.75,300 0.83,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.75,307 64,308 378,309 4.573,310 3.175,311 6.575,312 4.102,313 3.137,314 4.505,315 0.8,316 10.502,317 3.035,318 4.403,319 2.936,320 6.253,321 3.918,322 2.924,323 4.33,324 0.4,325 9.437,326 2.904,327 3.924,328 2.785,329 5.952,330 3.517,331 2.538,332 3.455,334 8.391,335 2.484,336 3.591,337 2.574,338 5.35,339 3.41,340 2.469,341 2.929,343 6.823,344 2.334,345 3.446,346 2.484,347 5.269,348 3.298,349 2.357,350 2.457,352 6.63,353 2.2,354 3.171,355 1.984,356 4.861,357 2.893,358 1.932,359 2.427,361 5.444,362 1.854,363 3.118,364 1.618,365 4.532,366 2.618,367 1.618,368 2.427,370 4.583,371 1.618,372 3.118,373 1.618,374 4.365,375 2.593,376 1.618,377 2.228,379 4.205,380 1.575,381 2.909,382 1.416,383 3.791,384 2.411,385 1.416,386 2.11,388 3.063,389 1.408,390 2.761,391 1.277,392 3.602,393 2.248,394 1.266,395 1.89,397 2.898,398 1.241,399 2.424,400 1.233,401 3.6,402 2.143,403 1.164,404 1.396,406 2.652,407 1.137,408 2.154,409 0.977,410 3.346,411 1.91,412 0.933,413 1.108,415 2.192,416 0.909,417 2.118,418 0.744,419 3.162,420 1.648,421 0.652,422 0.972,424 1.532,425 0.649,426 1.618,427 0.653,428 2.857,429 1.591,430 0.618,431 0.618,433 0.791,434 0.6,435 1.329,436 0.287,437 2.7,438 1.121,439 0.158,440 0.166,442 0.294,443 0.152,444 15.1,445 0.487,446 0.585,447 0.019,448 39.75,449 1.282,450 20.5,451 0.661,452 19.25,453 0.621,454 28.714,455 0.926,456 32.9,457 0.522,458 28.454,459 0.918,460 7.426,461 0.24,462 7.748,463 0.25,464 0.099,466 0.291,472 0.962,473 1.317,474 0.925,475 1.104,476 0.996,477 1.028,478 1.115,479 1.101,480 0.952,481 0.987,482 0.747,483 0.962,484 1.389,485 1.027,486 0.951,487 0.89,488 0.887,489 0.888,490 1.226,491 1.096,492 1.025,493 1.015,494 1.084,495 1.007,496 1.211,497 0.902,498 0.93,499 0.855,500 1.114,501 0.869,502 1.166,503 0.958,504 0.922,505 0.886,506 0.966,507 0.886,508 1.27,509 1.018,510 1.118,511 1.036,512 1.259,513 1.06,514 0.982,515 1.008,516 1.035,517 1.034,518 1.107,519 1.038,520 5.5,521 0.186,522 3.111,523 1.563,524 1.622,525 1.014,526 0.569,527 0.45,528 0.287,529 0.248,530 13118,531 24980,532 2.104,533 50.8,535 18,538 1,540 13,542 1.739,543 2,544 3.563,545 -0.457,550 80.187,551 1.273,552 3.107,553 4.198,554 5.009,555 5.231,556 5.338,557 3.066,558 4.761,559 4.92,560 3.754,561 1745.51,562 8.612,563 25163.4,568 376.569,569 1.277,570 4.899,571 0.162,572 0.006,573 0.068,574 0.032,575 0.037,576 0.024,577 0.013,578 0.011,579 0.008,580 0.007,581 0.368,582 0.33,583 0.88,584 1.7,585 161.68,586 0.053,587 -0.14,588 0.063,589 -0.032,590 -0.037,591 0.008,592 0.147,593 0.016,594 0.054,595 0.016,596 0.227,597 0.026,598 -0.071,599 0.034,600 0.06,601 0.076,602 0.153,603 0.077,604 0.003,605 -0.066,606 -0.023,607 -0.049,608 0.063,609 -0.04,611 0.092,612 0.072,613 0.098,614 0.018,615 0.092,616 -0.035,617 0.044,618 0.074,619 0.084,620 0.072,621 0.087,622 -0.106,623 0.018,624 -0.122,625 -0.058,626 -0.119,627 -0.085,628 -0.063,629 -0.04,630 -0.057,631 -0.047,632 -0.147,633 -0.051,634 0.988,635 1.961,636 0.645,637 34.793,638 0.981,639 1.124,640 5.65,641 31.925,642 0.662,643 3.555,644 3.85,645 4.127,646 4.382,647 4.654,648 4.762,649 4.934,650 5.088,651 5.263,652 5.303,653 7.252,654 0.61,655 412.63,656 3.555,657 5.081,658 5.927,659 6.795,660 7.66,661 8.538,662 9.413,663 10.297,664 11.178,665 12.067,666 6.3,669 1,671 1,676 2,680 4,681 11,682 2,686 3,688 22,697 1,703 63,705 22,706 3,707 34,709 66,710 27,711 18,712 5,713 11,717 4,718 6,721 3,727 3,729 18,730 9,747 32,748 4,749 1,750 4,755 4,760 0.5,771 1,776 4,780 2,792 1,796 2,801 3,805 31,810 5,811 1,814 1,815 1,832 15.5,833 12.1,834 7.028,835 4.34,836 4.541,837 1.572,838 0.988,839 6.913,840 12.486,841 3.829,842 4.443,843 5.089,844 5.732,845 6.386,846 6.773,847 7.289,848 7.796,849 8.32,850 8.619,851 1,852 49,853 11.468,854 4.722,855 7.403,856 22.764,857 18.648,859 1.903,860 59,864 364.904,865 159.805,866 54.706,871 159.805,872 364.904,873 54.706,874 26.476,875 11.386,876 104.239,877 51.582,878 18.501,879 2.328,880 364.904,882 364.904,883 214.511,887 214.208,888 153.024,891 43.13,892 117.471,893 51.582,895 364.904,896 54.706,897 159.805,900 364.904,901 29.091,902 133.839,903 18.011,904 33.571,905 364.904,906 54.706,907 159.805,909 0.567,910 0.337,911 0.18,912 0.097,913 21,914 9,915 0.136,916 9,917 2,918 1.2,919 4.26,920 277.077,921 0.2,922 20,923 149.58,928 21.428,929 10.001,930 5.097,931 4.476,932 54.706,933 23.103,934 9.831,938 2.73,940 18.011,941 579.415,942 45,952 61.778,953 70.806,954 0.213,955 0.52,956 0.702,957 0.838,958 0.875,959 0.893,960 5.04,961 1.618,962 5.889,963 4.583,964 4.533,965 5.13,966 0.824,967 6.676,968 4.475,969 6.235,970 1.416,971 7.428,972 4.205,973 4.007,974 4.902,975 0.325,976 7.526,977 3.91,978 7.534,979 1.266,980 9.068,981 3.063,982 6.098,983 7.396,984 0.413,985 10.622,986 5.982,987 8.873,988 1.164,989 10.768,990 2.898,991 6.415,992 8.056,993 0.268,994 12.309,995 6.264,996 10.248,997 0.933,998 12.508,999 2.652,1000 7.937,1001 9.994,1002 0.246,1003 14.908,1004 7.771,1005 11.649,1006 0.652,1007 14.274,1008 2.192,1009 8.66,1010 11.088,1011 0.188,1012 16.948,1013 8.464,1014 13.071,1015 0.618,1016 16.059,1017 1.532,1018 9.941,1019 12.78,1020 0.157,1021 19.372,1022 9.728,1023 3.137,1024 0.158,1025 17.86,1026 0.791,1027 10.866,1028 14.084,1029 0.125,1030 21.568,1031 10.626,1032 2.924,1033 10.502,1034 19.671,1035 0.294,1036 12.044,1037 15.663,1038 0.102,1039 23.928,1040 11.785,1041 2.538,1042 9.437,1043 21.491,1044 4.505,1045 13.068,1046 17.067,1047 0.082,1048 26.194,1049 12.782,1050 2.469,1051 8.391,1052 23.319,1053 4.33,1054 14.206,1055 18.596,1056 0.067,1057 28.532,1058 13.899,1059 2.357,1060 6.823,1061 25.153,1062 3.455,1063 15.279,1064 20.046,1065 0.054,1066 30.833,1067 14.945,1068 1.932,1069 6.63,1070 26.991,1071 2.929,1072 16.404,1073 21.554,1074 0.043,1075 33.166,1076 16.044,1077 1.618,1078 5.444,1079 28.834,1080 2.457,1081 17.502,1082 23.026,1083 0.035,1084 35.484,1085 17.114,1086 12603,1087 17648,1088 23.057,1089 41.682,1090 49.606,1091 49.759,1092 51.268,1093 49.636,1094 49.599,1095 66.038,1096 2.4,1097 138.873,1098 48.202,1099 5.51,1100 5.175,1101 6.263,1102 5.177,1103 5.137,1104 7.505,1105 1.2,1106 17.478,1107 5.035,1108 13.198,1109 1.459,1110 1.464,1111 1.508,1112 1.46,1113 1.459,1114 1.942,1115 0.071,1116 4.085,1117 1.418,1118 4.131,1119 4.159,1120 4.095,1121 4.071,1122 5.079,1123 4.072,1124 4.004,1125 4.031,1126 3.96,1127 3.939,1128 4.863,1129 3.942,1130 3.798,1131 3.872,1132 3.657,1133 3.636,1134 4.486,1135 3.63,1136 3.625,1137 3.703,1138 3.487,1139 3.458,1140 4.365,1141 3.456,1142 3.528,1143 3.569,1144 3.444,1145 3.433,1146 4.285,1147 3.427,1148 3.316,1149 3.407,1150 3.196,1151 3.167,1152 4.175,1153 3.168,1154 3.306,1155 3.391,1156 3.04,1157 3.123,1158 3.955,1159 3.089,1160 3.218,1161 3.295,1162 3.03,1163 3.053,1164 3.892,1165 3.034,1166 0.135,1167 0.093,1168 0.193,1169 0.121,1170 0.092,1171 4.573,1172 0.133,1173 3.175,1174 0.024,1175 6.575,1176 0.309,1177 4.102,1178 0.089,1179 3.137,1180 4.505,1181 0.8,1182 10.502,1183 3.035,1184 2.091,1185 2.07,1186 2.166,1187 2.165,1188 1.343,1189 2.164,1190 1.99,1191 1.964,1192 2.074,1193 2.075,1194 1.292,1195 2.079,1196 1.773,1197 1.705,1198 2.005,1199 1.968,1200 1.173,1201 1.985,1202 1.616,1203 1.539,1204 1.886,1205 1.826,1206 1.11,1207 1.851,1208 1.527,1209 1.49,1210 1.725,1211 1.638,1212 0.869,1213 1.651,1214 1.351,1215 1.256,1216 1.672,1217 1.584,1218 0.848,1219 1.638,1220 1.317,1221 1.244,1222 1.642,1223 1.533,1224 0.735,1225 1.574,1226 1.219,1227 1.151,1228 1.402,1229 1.405,1230 0.442,1231 1.417,1232 4.234,1233 5.533,1235 7.041,1237 8.647,1239 10.306,1241 6.702,1247 5.663,1248 3.672,1251 0.346,1252 2.477,1257 38.461,1258 80.187,1259 195.758,1260 264.476,1261 315.549,1262 329.549,1263 336.304,1264 43.311,1265 7.945,1266 41.05,1267 41.05,1268 24,1269 12.599,1270 4.524,1271 3.585,1272 49.336,1273 130,1274 148,1275 0.179,1276 238.093,1277 400.22,1278 572.708,1279 32760,1281 21.631,1282 0.698,1283 0.607,1284 21.631,1285 18.805,1286 15.173,1287 0.446,1288 0.336,1289 11.345,1290 14.865,1291 10.977,1292 9.207,1293 15.173,1294 11.424,1295 13.032,1296 0.283,1297 0.178,1298 13.032,1299 8.189,1300 11.2,1301 0.184,1302 0.098,1303 11.2,1304 6,1305 9.279,1306 0.117,1307 0.052,1308 9.279,1309 4.111,1310 7.598,1311 0.073,1312 0.026,1313 7.598,1314 2.676,1315 0.282,1316 92.877,1317 0.208,1318 29.242,1319 0.488,1320 160,1321 347.268,1322 168.354,1323 351.923,1324 505.53,1325 334,1326 187,1327 391.718,1328 195.826,1329 402.435,1330 591.41,1331 382,1332 5.602}
{0 CHEMBL195764,1 1.606,2 13.154,3 5.295,4 28.034,5 110.885,6 7.642,7 0.444,8 4.012,9 4.145,10 3.591,11 3.519,12 5.023,13 3.473,14 4.565,15 4.775,16 3.917,17 3.866,18 5.544,19 3.782,20 4.786,21 5.033,22 3.974,23 3.99,24 5.662,25 3.87,26 4.813,27 5.058,28 3.972,29 3.962,30 5.742,31 3.808,32 4.817,33 5.116,34 3.618,35 3.878,36 5.546,37 3.705,38 4.708,39 4.99,40 3.715,41 3.804,42 5.565,43 3.661,44 4.591,45 4.861,46 3.65,47 3.738,48 5.46,49 3.602,50 4.525,51 4.795,52 3.693,53 3.636,54 5.448,55 3.516,56 0.01,57 0.727,58 11.091,59 4.641,60 6.617,61 6.517,62 0.296,63 1.088,64 23.021,65 7.63,66 27.26,67 10.808,68 0.291,69 1.213,70 33.563,71 9.694,72 30.024,73 13.803,74 0.559,75 1.196,76 39.971,77 10.27,78 49.268,79 14.36,80 0.337,81 1.195,82 33.009,83 10.227,84 31.979,85 14.911,86 0.413,87 1.094,88 31.649,89 8.687,90 39.249,91 12.829,92 0.289,93 1.015,94 26.114,95 7.75,96 29.144,97 11.334,98 0.347,99 0.917,100 26.343,101 6.705,102 34.051,103 10.204,104 27,105 34,106 0.273,107 0.564,108 0.755,109 0.833,110 0.846,111 0.846,112 3.302,113 1.082,114 -5.69,115 -5.56,116 -5.18,119 36.5,120 2,121 2,125 5,138 4,139 1,140 2,141 1,143 1,146 1,163 3,165 2,166 7,169 2,171 1,172 7,176 2,181 1,183 3,186 1,187 6,190 1,192 1,194 7,198 3,201 1,205 3,209 6,214 1,217 4,220 2,221 2,226 3,227 1,231 4,236 3,238 2,241 1,242 5,249 2,252 1140,253 17.654,254 17.654,255 17.654,256 17.654,257 17.654,258 16.102,259 25.405,260 10.77,261 18.407,262 13.198,263 13.198,264 13.198,265 13.198,266 13.198,267 10.907,268 33.14,269 4.982,270 14.443,271 4.095,272 2.386,273 1.26,274 0.798,275 0.721,276 0.721,277 3.971,279 2,282 1,283 1,284 695,285 3.808,288 197.571,295 2.308,296 20.435,299 0.75,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.82,307 55.667,308 342,309 4.234,310 3.289,311 6.06,312 3.791,313 2.863,314 3.881,315 1.151,316 8.714,317 2.627,318 4.065,319 2.948,320 5.595,321 3.591,322 2.684,323 3.668,324 0.8,325 7.729,326 2.431,327 3.481,328 2.782,329 5.271,330 3.366,331 2.446,332 2.786,333 0.4,334 6.644,335 2.249,336 3.446,337 2.74,338 5.007,339 3.063,340 2.175,341 2.611,343 6.015,344 1.918,345 3.358,346 2.472,347 4.935,348 2.944,349 2.053,350 2.445,352 5.745,353 1.76,354 2.851,355 2.033,356 4.171,357 2.571,358 1.606,359 1.981,361 3.769,362 1.544,363 2.721,364 1.682,365 3.71,366 2.371,367 1.47,368 1.797,370 3.307,371 1.246,372 2.593,373 1.333,374 3.502,375 2.166,376 1.228,377 1.602,379 2.671,380 1.145,381 1.967,382 1.086,383 3.247,384 1.795,385 0.84,386 0.898,388 1.783,389 0.799,390 1.901,391 0.976,392 3.101,393 1.629,394 0.744,395 0.863,397 1.694,398 0.634,399 1.618,400 0.744,401 2.618,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.264,409 0.532,410 2.568,411 1.093,412 0.139,413 0.145,415 0.246,416 0.132,417 1.204,418 0.291,419 2.512,420 0.842,426 0.807,427 0.256,428 2.359,429 0.611,430 -0.353,431 -0.377,433 -0.607,434 -0.293,435 0.79,436 -0.24,437 2,438 0.28,439 -0.514,440 -0.621,442 -1.242,443 -0.339,444 12.862,445 0.495,446 0.468,447 0.018,448 29.75,449 1.144,450 13,451 0.5,452 16.75,453 0.644,454 24.162,455 0.929,456 29.738,457 0.572,458 19.234,459 0.74,460 5.673,461 0.218,462 6.945,463 0.267,464 0.189,466 0.225,472 0.788,473 1.624,474 0.639,475 1.132,476 0.699,477 1.062,478 0.952,479 1.059,480 0.706,481 0.869,482 0.636,483 0.924,484 1.118,485 1.03,486 0.894,487 0.891,488 0.898,489 0.894,490 0.973,491 1.045,492 0.95,493 1.069,494 0.933,495 1.086,496 0.752,497 0.868,498 0.593,499 0.776,500 0.7,501 0.826,502 0.799,503 0.954,504 0.712,505 0.842,506 0.768,507 0.842,508 0.883,509 0.976,510 0.714,511 0.814,512 0.859,513 0.869,514 0.861,515 1.089,516 0.724,517 0.864,518 0.761,519 0.844,520 5,521 0.124,522 2.222,523 1.188,524 0.916,525 0.493,526 0.224,527 0.333,528 0.197,529 0.16,530 8715,531 23757,532 1.974,533 50,535 14,537 1,538 1,540 10,542 1.684,543 1.857,544 3.666,545 -0.294,550 83.501,551 1.606,552 3.315,553 4.441,554 4.902,555 4.979,556 4.979,557 3.123,558 3.95,559 4.669,560 3.878,561 1260.26,562 8.055,563 17367.2,568 296.423,569 1.335,570 4.634,571 0.185,572 0.007,573 0.065,574 0.035,575 0.033,576 0.02,577 0.009,578 0.013,579 0.008,580 0.008,581 0.383,582 0.33,583 0.75,584 1.966,585 132.329,586 -0.02,587 -0.313,588 0.02,589 -0.12,590 -0.015,591 -0.052,592 0.066,593 0.093,594 0.053,595 0.063,596 0.196,597 0.024,598 -0.101,599 -0.005,600 0.032,601 0.065,602 0.028,603 0.069,604 0.133,605 -0.057,606 0.021,607 -0.103,608 0.114,609 -0.122,610 0.023,611 0.053,612 0.109,613 0.126,614 0.027,615 0.131,616 0.095,617 0.008,618 0.105,619 0.072,620 0.125,621 0.109,622 -0.005,623 0.041,624 0.068,625 0.091,626 0.003,627 0.073,628 0.118,629 -0.09,630 0.148,631 0.043,632 0.18,633 0.093,634 1.17,635 2.216,636 0.462,637 30.13,638 1,639 1.136,640 4.461,641 19.905,642 0.66,643 3.332,644 3.555,645 3.714,646 3.829,647 3.951,648 3.892,649 3.85,650 3.97,651 4.043,652 4.094,653 7.816,654 0.611,655 397.39,656 3.332,657 4.812,658 5.602,659 6.418,660 7.222,661 8.043,662 8.852,663 9.676,664 10.489,665 11.316,666 7.7,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 52,705 12,706 1,707 27,709 53,710 19,711 10,712 3,713 3,717 2,718 2,719 2,721 2,727 2,729 10,730 9,747 26,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 2,802 2,805 26,810 7,811 1,812 1,815 1,824 2,825 1.9,830 1,832 14,833 9.719,834 6.111,835 3.477,836 2.216,837 1.33,838 0.931,839 9.298,840 8.93,841 3.526,842 4.007,843 4.449,844 4.883,845 5.334,846 5.274,847 5.302,848 5.626,849 5.995,850 6.322,851 0.889,852 34,853 9.574,854 3.766,855 7.618,856 18.553,857 14.229,859 2.118,860 55.056,864 294.278,865 99.588,866 54.706,867 78.297,868 11,871 99.588,872 383.575,873 54.706,874 17.65,875 18.084,876 37.905,877 63.353,878 33.358,879 6.714,880 282.506,881 78.297,882 294.278,883 154.294,884 11,885 78.297,887 176.567,888 128.711,891 49.806,892 52.906,893 129.879,895 294.278,896 65.706,897 177.885,900 294.278,901 34.985,902 67.727,903 18.011,904 122.868,905 294.278,906 65.706,907 177.885,909 0.555,910 0.317,911 0.155,912 0.075,913 12,914 6,915 0.208,916 11,918 1,919 3.95,920 187.06,922 12,923 118.211,928 21.071,929 11.473,930 7.507,932 65.706,933 8.755,934 8.609,938 3.135,940 18.011,941 537.868,942 33,952 51.985,953 59.073,954 0.282,955 0.582,956 0.779,957 0.86,958 0.873,959 0.873,960 4.71,961 1.228,962 5.533,963 3.307,964 4.234,965 4.691,966 1.595,967 6.213,968 4.052,969 5.851,970 0.84,971 7.015,972 2.671,973 3.611,974 4.311,975 0.325,976 6.862,977 3.214,978 7.106,979 0.744,980 8.59,981 1.783,982 5.707,983 6.746,984 1.613,985 9.853,986 5.355,987 8.394,988 0.618,989 10.219,990 1.694,991 5.889,992 7.165,993 0.268,994 11.296,995 5.324,996 9.714,997 0.139,998 11.883,999 0.791,1000 7.414,1001 9.087,1002 1.779,1003 13.778,1004 6.888,1005 11.054,1007 13.57,1008 0.246,1009 7.991,1010 9.895,1011 0.188,1012 15.57,1013 7.275,1014 12.41,1015 -0.353,1016 15.274,1018 9.257,1019 11.577,1020 1.991,1021 17.859,1022 8.553,1023 2.863,1024 -0.514,1025 16.991,1026 -0.607,1027 10.043,1028 12.6,1029 0.125,1030 19.822,1031 9.174,1032 2.684,1033 8.714,1034 18.717,1035 -1.242,1036 11.184,1037 14.148,1038 2.225,1039 22.03,1040 10.3,1041 2.446,1042 7.729,1043 20.452,1044 3.881,1045 12.083,1046 15.296,1047 0.082,1048 24.082,1049 11.057,1050 2.175,1051 6.644,1052 22.194,1053 3.668,1054 13.164,1055 16.765,1056 2.473,1057 26.256,1058 12.101,1059 2.053,1060 6.015,1061 23.942,1062 2.786,1063 14.124,1064 17.987,1065 0.054,1066 28.354,1067 12.936,1068 1.606,1069 5.745,1070 25.695,1071 2.611,1072 15.176,1073 19.407,1074 2.73,1075 30.515,1076 13.936,1077 1.47,1078 3.769,1079 27.453,1080 2.445,1081 16.17,1082 20.676,1083 0.035,1084 32.639,1085 14.818,1086 8821,1087 14969,1088 17.682,1089 34.33,1090 37.664,1091 38.575,1092 39.126,1093 38.166,1094 37.735,1095 46.596,1096 4.702,1097 98.218,1098 34.175,1099 5.167,1100 5.289,1101 5.837,1102 4.876,1103 4.863,1104 6.881,1105 2.302,1106 14.956,1107 4.627,1108 13.981,1109 1.395,1110 1.429,1111 1.449,1112 1.414,1113 1.398,1114 1.726,1115 0.174,1116 3.638,1117 1.266,1118 3.945,1119 3.974,1120 4.094,1121 3.883,1122 5.073,1123 3.874,1124 3.842,1125 3.891,1126 3.817,1127 3.669,1128 4.993,1129 3.69,1130 3.762,1131 3.831,1132 3.631,1133 3.579,1134 4.633,1135 3.584,1136 3.546,1137 3.624,1138 3.593,1139 3.373,1140 4.44,1141 3.361,1142 3.306,1143 3.407,1144 3.377,1145 3.123,1146 4.329,1147 3.089,1148 3.241,1149 3.3,1150 3.205,1151 3.065,1152 4.128,1153 3.062,1154 3.149,1155 3.224,1156 3.04,1157 2.954,1158 4.048,1159 2.943,1160 2.879,1161 2.922,1162 2.988,1163 2.796,1164 3.892,1165 2.768,1166 0.157,1167 0.122,1168 0.224,1169 0.14,1170 0.106,1171 4.234,1172 0.144,1173 3.289,1174 0.043,1175 6.06,1176 0.323,1177 3.791,1178 0.097,1179 2.863,1180 3.881,1181 1.151,1182 8.714,1183 2.627,1184 1.895,1185 1.881,1186 2.004,1187 2.007,1188 1.319,1189 2.001,1190 1.778,1191 1.715,1192 1.961,1193 1.962,1194 1.134,1195 1.976,1196 1.711,1197 1.652,1198 1.874,1199 1.912,1200 1.099,1201 1.905,1202 1.55,1203 1.474,1204 1.784,1205 1.753,1206 0.869,1207 1.779,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.798,1213 1.638,1214 1.191,1215 1.133,1216 1.505,1217 1.45,1218 0.714,1219 1.471,1220 1.138,1221 1.062,1222 1.39,1223 1.363,1224 0.571,1225 1.381,1226 0.868,1227 0.824,1228 1.144,1229 1.081,1230 0.291,1231 1.112,1232 4.007,1233 5.252,1235 6.683,1237 8.199,1239 9.759,1241 4.386,1242 12.058,1247 6.726,1248 3.248,1249 5.716,1252 2.423,1257 31.777,1258 83.501,1259 172.375,1260 230.913,1261 254.913,1262 258.913,1263 258.913,1264 47.911,1265 6.714,1266 50.28,1267 50.28,1268 12,1269 11.895,1270 3.7,1271 2.807,1272 55.449,1273 122,1274 112,1275 0.217,1276 208.513,1277 358.11,1278 500.532,1279 7594,1280 3.8,1281 18.778,1282 0.722,1283 0.648,1284 19.778,1285 16.854,1286 12.618,1287 0.467,1288 0.361,1289 8.923,1290 11.566,1291 8.612,1292 7.196,1293 13.195,1294 9.736,1295 10.452,1296 0.307,1297 0.198,1298 11.231,1299 6.747,1300 8.326,1301 0.208,1302 0.117,1303 8.941,1304 4.686,1305 6.273,1306 0.139,1307 0.066,1308 6.969,1309 2.962,1310 4.491,1311 0.088,1312 0.033,1313 4.849,1314 1.7,1315 0.357,1316 84.894,1317 0.238,1318 26.103,1319 0.552,1320 122,1321 361.411,1322 164.436,1323 406.444,1324 532.23,1325 380,1326 135,1327 339.265,1328 167.617,1329 360.774,1330 522.75,1331 339,1332 5.523}
{0 CHEMBL195893,1 1.581,2 12.63,3 5.253,4 27.592,5 112.518,6 7.48,7 0.429,8 4.063,9 4.197,10 3.623,11 3.57,12 5.063,13 3.519,14 4.622,15 4.833,16 3.961,17 3.917,18 5.58,19 3.834,20 4.866,21 5.116,22 3.978,23 4.05,24 5.751,25 3.928,26 4.885,27 5.138,28 4.078,29 4.059,30 5.769,31 3.906,32 4.956,33 5.254,34 3.734,35 4.024,36 5.706,37 3.842,38 4.877,39 5.172,40 3.739,41 3.965,42 5.644,43 3.801,44 4.742,45 5.003,46 3.858,47 3.884,48 5.673,49 3.755,50 4.759,51 5.045,52 3.7,53 3.849,54 5.567,55 3.69,56 0.019,57 0.765,58 12.05,59 4.975,60 7.688,61 7.041,62 0.223,63 1.157,64 24.558,65 8.045,66 26.709,67 11.565,68 0.49,69 1.323,70 36.592,71 9.973,72 39.656,73 14.542,74 0.456,75 1.344,76 39.317,77 11.493,78 44.101,79 16.248,80 0.414,81 1.389,82 37.99,83 11.69,84 40.35,85 17.228,86 0.354,87 1.289,88 37.187,89 10.564,90 36.851,91 15.634,92 0.413,93 1.193,94 30.314,95 8.509,96 43.175,97 13.045,98 0.339,99 1.121,100 31.128,101 9.166,102 34.829,103 13.424,104 36,105 36,106 0.265,107 0.558,108 0.751,109 0.824,110 0.824,111 0.824,112 3.338,113 1.088,114 -5.5,115 -5.38,116 -5.02,119 36.4,120 3,121 2,125 4,127 1,138 4,140 3,141 1,143 1,145 1,163 1,165 1,166 7,169 1,171 3,172 8,175 2,176 1,181 1,183 1,187 5,190 1,194 8,198 7,201 2,205 3,209 2,220 1,221 10,226 4,227 4,231 1,241 1,242 2,247 3,249 9,252 1261,253 18.049,254 18.049,255 18.049,256 18.049,257 18.049,258 16.525,259 28.331,260 10.913,261 18.827,262 13.72,263 13.72,264 13.72,265 13.72,266 13.72,267 11.432,268 41.433,269 5.082,270 14.988,271 4.201,272 2.459,273 1.31,274 0.878,275 0.878,276 0.878,277 4.005,279 2,282 1,283 1,284 692,285 4.062,288 206.106,295 2.31,296 21.398,299 0.75,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.82,307 57.667,308 341,309 4.168,310 3.201,311 5.687,312 3.709,313 2.79,314 3.812,315 1.151,316 7.994,317 2.56,318 4.076,319 2.947,320 5.626,321 3.643,322 2.715,323 3.673,324 0.8,325 7.828,326 2.483,327 3.519,328 2.787,329 5.276,330 3.389,331 2.461,332 2.709,333 0.4,334 6.667,335 2.289,336 3.435,337 2.696,338 5.175,339 3.269,340 2.335,341 2.541,343 6.488,344 2.174,345 3.304,346 2.623,347 4.856,348 2.941,349 2.035,350 2.481,352 5.595,353 1.838,354 3.232,355 2.417,356 4.688,357 2.782,358 1.879,359 2.449,361 5.129,362 1.661,363 3.094,364 2.026,365 4.618,366 2.707,367 1.845,368 2.166,370 4.963,371 1.441,372 2.67,373 1.331,374 3.514,375 2.186,376 1.234,377 1.744,379 2.684,380 1.173,381 2.138,382 1.174,383 3.362,384 2.066,385 1.101,386 1.133,388 2.322,389 1.059,390 1.825,391 1.019,392 3.197,393 1.591,394 0.618,395 0.723,397 1.492,398 0.6,399 1.618,400 0.744,401 2.764,402 1.498,403 0.617,404 0.618,406 0.791,407 0.537,408 1.21,409 0.294,410 2.618,411 1.119,412 0.155,413 0.159,415 0.276,416 0.149,417 1,418 0.271,419 2.517,420 0.74,421 -0.204,422 -0.229,424 -0.446,425 -0.192,426 1,427 0.173,428 2.382,429 0.546,430 -0.347,431 -0.445,433 -0.891,434 -0.229,435 0.927,436 -0.073,437 2.208,438 0.473,439 -0.375,440 -0.473,442 -1.005,443 -0.276,444 13.362,445 0.495,446 0.591,447 0.022,448 30.25,449 1.12,450 13,451 0.481,452 17.25,453 0.639,454 26.928,455 0.997,456 31.038,457 0.564,458 19.853,459 0.735,460 5.639,461 0.209,462 7.355,463 0.272,464 0.219,466 0.254,472 0.785,473 1.619,474 0.655,475 1.146,476 0.737,477 1.08,478 1.021,479 1.224,480 0.699,481 0.92,482 0.634,483 0.934,484 1.231,485 0.892,486 0.979,487 0.842,488 1.051,489 0.901,490 0.542,491 1.14,492 0.628,493 1.053,494 0.479,495 1.042,496 0.695,497 0.912,498 0.666,499 0.84,500 0.712,501 0.887,502 0.869,503 0.935,504 0.782,505 0.814,506 0.87,507 0.824,508 0.687,509 1.117,510 0.667,511 0.978,512 0.623,513 0.984,514 1.064,515 0.889,516 0.675,517 0.714,518 0.915,519 0.804,520 6.5,521 0.161,522 1.778,523 1.813,524 1.076,525 0.521,526 0.469,527 0.28,528 0.251,529 0.161,530 9320,531 24850,532 1.954,533 50.9,535 13,537 1,538 1,540 13,542 1.696,543 1.82,544 3.622,545 -0.309,550 86.93,551 1.581,552 3.323,553 4.472,554 4.904,555 4.904,556 4.904,557 3.056,558 4.31,559 4.724,560 3.852,561 1351.98,562 8.176,563 18951.4,568 317.975,569 1.427,570 4.677,571 0.232,572 0.008,573 0.049,574 0.052,575 0.034,576 0.019,577 0.016,578 0.01,579 0.01,580 0.007,581 0.437,582 0.33,583 0.75,584 1.961,585 138.369,586 -0.014,587 -0.299,588 0.021,589 -0.115,590 -0.038,591 -0.05,592 -0.008,593 -0.072,594 0.069,595 0.023,596 0.198,597 0.026,598 -0.091,599 0.164,600 -0.05,601 0.088,602 -0.053,603 0.038,604 0.29,605 -0.139,606 0.183,607 -0.087,608 0.323,609 -0.056,610 0.057,611 0.033,612 0.062,613 0.066,614 0.039,615 0.067,616 -0.045,617 0.013,618 0.051,619 0.105,620 -0.019,621 0.131,622 0.179,623 -0.061,624 0.091,625 -0.074,626 0.245,627 -0.041,628 -0.095,629 0.068,630 0.101,631 0.186,632 -0.059,633 0.133,634 1.247,635 2.202,636 0.444,637 30.804,638 0.998,639 1.136,640 4.274,641 18.269,642 0.656,643 3.367,644 3.611,645 3.738,646 3.912,647 3.989,648 3.989,649 3.97,650 4.007,651 4.127,652 4.111,653 7.744,654 0.606,655 411.42,656 3.367,657 4.86,658 5.645,659 6.475,660 7.272,661 8.106,662 8.907,663 9.744,664 10.549,665 11.387,666 7.3,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 55,705 12,706 1,707 28,709 56,710 20,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 10,730 10,747 28,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 1,812 1,814 1,815 1,824 2,825 1.8,830 1,832 14.833,833 10.552,834 6.25,835 3.678,836 2.193,837 1.323,838 0.922,839 9.456,840 8.973,841 3.555,842 4.043,843 4.454,844 4.934,845 5.342,846 5.345,847 5.382,848 5.667,849 6.059,850 6.32,851 1,852 35,853 9.95,854 3.927,855 7.607,856 19.31,857 14.908,859 2.107,860 56.889,864 317.82,865 106.307,866 54.706,867 78.297,868 11,871 106.307,872 407.117,873 54.706,874 26.476,875 15.979,876 37.905,877 63.353,878 37.744,879 2.328,880 306.049,881 78.297,882 317.82,883 161.013,884 11,885 78.297,887 167.123,888 164.024,891 54.626,892 52.478,893 129.879,895 317.82,896 65.706,897 184.604,900 317.82,901 32.879,902 76.552,903 18.011,904 122.868,905 317.82,906 65.706,907 184.604,909 0.56,910 0.31,911 0.159,912 0.075,913 13,914 7,915 0.196,916 11,918 1,919 3.974,920 199.873,922 12,923 118.382,928 22.06,929 11.574,930 8.117,932 65.706,933 8.71,934 8.79,938 3.077,940 18.011,941 568.13,942 34,952 54.869,953 62.488,954 0.273,955 0.575,956 0.773,957 0.848,958 0.848,959 0.848,960 4.754,961 1.234,962 5.595,963 4.963,964 4.29,965 4.727,966 1.595,967 6.279,968 4.115,969 5.904,970 1.101,971 7.076,972 2.684,973 3.761,974 4.388,975 0.325,976 6.88,977 3.404,978 7.161,979 0.618,980 8.641,981 2.322,982 5.771,983 6.763,984 1.613,985 9.865,986 5.437,987 8.444,988 0.617,989 10.252,990 1.492,991 5.969,992 7.151,993 0.268,994 11.178,995 5.461,996 9.753,997 0.155,998 11.889,999 0.791,1000 7.459,1001 9.067,1002 1.779,1003 13.669,1004 6.967,1005 11.079,1006 -0.204,1007 13.542,1008 0.276,1009 8.019,1010 9.83,1011 0.188,1012 15.322,1013 7.366,1014 12.42,1015 -0.347,1016 15.207,1017 -0.446,1018 9.267,1019 11.519,1020 1.991,1021 17.599,1022 8.611,1023 2.79,1024 -0.375,1025 16.881,1026 -0.891,1027 10.026,1028 12.5,1029 0.125,1030 19.435,1031 9.221,1032 2.715,1033 7.994,1034 18.562,1035 -1.005,1036 11.153,1037 14.057,1038 2.225,1039 21.608,1040 10.325,1041 2.461,1042 7.828,1043 20.248,1044 3.812,1045 12.023,1046 15.169,1047 0.082,1048 23.545,1049 11.058,1050 2.335,1051 6.667,1052 21.938,1053 3.673,1054 13.088,1055 16.642,1056 2.473,1057 25.666,1058 12.084,1059 2.035,1060 6.488,1061 23.633,1062 2.709,1063 14.019,1064 17.834,1065 0.054,1066 27.66,1067 12.89,1068 1.879,1069 5.595,1070 25.332,1071 2.541,1072 15.055,1073 19.254,1074 2.73,1075 29.754,1076 13.871,1077 1.845,1078 5.129,1079 27.033,1080 2.481,1081 16.02,1082 20.496,1083 0.035,1084 31.781,1085 14.723,1086 9455,1087 15915,1088 18.087,1089 36.091,1090 39.443,1091 40.078,1092 41.048,1093 39.944,1094 39.571,1095 48.414,1096 4.702,1097 104.457,1098 35.926,1099 5.104,1100 5.201,1101 5.305,1102 4.787,1103 4.79,1104 6.812,1105 2.302,1106 13.994,1107 4.56,1108 15.758,1109 1.409,1110 1.431,1111 1.466,1112 1.427,1113 1.413,1114 1.729,1115 0.168,1116 3.731,1117 1.283,1118 3.943,1119 3.983,1120 4.087,1121 3.855,1122 5.068,1123 3.851,1124 3.856,1125 3.888,1126 3.838,1127 3.717,1128 4.975,1129 3.731,1130 3.768,1131 3.839,1132 3.64,1133 3.593,1134 4.632,1135 3.597,1136 3.597,1137 3.673,1138 3.582,1139 3.422,1140 4.502,1141 3.415,1142 3.306,1143 3.407,1144 3.447,1145 3.123,1146 4.351,1147 3.089,1148 3.28,1149 3.363,1150 3.247,1151 3.09,1152 4.245,1153 3.082,1154 3.204,1155 3.257,1156 3.04,1157 3.021,1158 3.922,1159 3.011,1160 2.901,1161 2.933,1162 3.031,1163 2.849,1164 3.892,1165 2.815,1166 0.149,1167 0.114,1168 0.203,1169 0.132,1170 0.1,1171 4.168,1172 0.136,1173 3.201,1174 0.041,1175 5.687,1176 0.285,1177 3.709,1178 0.091,1179 2.79,1180 3.812,1181 1.151,1182 7.994,1183 2.56,1184 1.866,1185 1.853,1186 2.021,1187 2.022,1188 1.34,1189 2.018,1190 1.813,1191 1.757,1192 1.925,1193 1.958,1194 1.125,1195 1.962,1196 1.728,1197 1.665,1198 1.9,1199 1.91,1200 1.041,1201 1.915,1202 1.591,1203 1.517,1204 1.814,1205 1.793,1206 0.898,1207 1.813,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.289,1215 1.204,1216 1.636,1217 1.523,1218 0.824,1219 1.566,1220 1.173,1221 1.123,1222 1.433,1223 1.401,1224 0.592,1225 1.415,1226 0.849,1227 0.827,1228 1.26,1229 1.133,1230 0.437,1231 1.183,1232 4.043,1233 5.303,1235 6.737,1237 8.251,1239 9.807,1241 6.578,1242 11.971,1247 5.837,1248 3.441,1249 5.702,1251 0.343,1252 2.439,1257 33.304,1258 86.93,1259 182.748,1260 245.936,1261 269.71,1262 269.71,1263 269.71,1264 53.508,1265 6.78,1266 50.28,1267 50.28,1268 12,1269 11.962,1270 3.7,1271 2.807,1272 58.762,1273 125,1274 116,1275 0.224,1276 218.105,1277 375.41,1278 523.937,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.656,1284 20.648,1285 17.724,1286 12.995,1287 0.464,1288 0.363,1289 9.34,1290 11.924,1291 8.965,1292 7.508,1293 13.572,1294 10.15,1295 11.214,1296 0.311,1297 0.204,1298 12.03,1299 7.339,1300 8.35,1301 0.204,1302 0.116,1303 8.822,1304 4.746,1305 6.838,1306 0.14,1307 0.067,1308 7.633,1309 3.3,1310 4.546,1311 0.086,1312 0.032,1313 4.856,1314 1.714,1315 0.366,1316 87.11,1317 0.235,1318 26.771,1319 0.577,1320 128,1321 367.411,1322 170.603,1323 413.187,1324 541.49,1325 386,1326 141,1327 347.546,1328 171.942,1329 369.339,1330 532.01,1331 347,1332 4.602}
{0 CHEMBL197654,1 1.715,2 14.034,3 3.77,4 14.212,5 116.827,6 8.119,7 0.387,8 4.08,9 4.205,10 3.71,11 3.582,12 5.139,13 3.559,14 4.642,15 4.834,16 4.069,17 3.971,18 5.689,19 3.913,20 4.903,21 5.124,22 4.127,23 4.111,24 5.881,25 4.01,26 4.957,27 5.208,28 4.099,29 4.007,30 5.995,31 3.887,32 4.765,33 5.019,34 3.788,35 3.853,36 5.746,37 3.746,38 4.712,39 4.958,40 3.815,41 3.807,42 5.741,43 3.715,44 4.624,45 4.877,46 3.779,47 3.787,48 5.619,49 3.675,50 4.593,51 4.854,52 3.812,53 3.709,54 5.581,55 3.611,56 0.068,57 0.79,58 10.427,59 4.626,60 6.661,61 6.236,62 0.43,63 1.212,64 22.66,65 7.861,66 33.098,67 10.785,68 0.45,69 1.391,70 35.022,71 10.862,72 44.849,73 14.845,74 0.933,75 1.313,76 45.892,77 10.92,78 84.217,79 14.957,80 0.539,81 1.169,82 30.142,83 9.096,84 54.8,85 12.752,86 0.633,87 1.115,88 30.852,89 7.816,90 61.9,91 11.087,92 0.479,93 1.062,94 26.229,95 7.854,96 44.269,97 11.393,98 0.417,99 0.996,100 27.389,101 7.216,102 38.202,103 10.784,104 17,105 41,106 0.287,107 0.608,108 0.799,109 0.892,110 0.905,111 0.905,112 3.407,113 1.003,114 -4.71,115 -4.62,116 -4.34,119 37,121 2,122 1,124 1,125 5,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 2,166 7,169 3,171 1,172 8,176 3,180 1,181 1,183 3,186 2,187 5,190 2,192 2,194 4,198 1,201 3,203 1,205 1,209 5,214 2,217 3,220 2,221 3,224 2,226 3,231 6,236 3,238 1,241 3,242 4,247 1,249 1,252 1518,253 19.43,254 19.43,255 19.43,256 19.43,257 19.43,258 17.747,259 27.632,260 11.722,261 20.144,262 15.304,263 15.304,264 15.304,265 15.304,266 15.304,267 12.74,268 36.441,269 5.603,270 16.538,271 4.04,272 2.123,273 0.977,274 0.421,275 0.347,276 0.347,277 4.09,279 2,282 1,283 1,284 859,285 3.536,288 331.659,295 2.378,296 30.169,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 63.167,308 407,309 4.234,310 3.708,311 6.06,312 3.827,313 2.863,314 3.881,315 1.907,316 8.714,317 2.812,318 4.065,319 3.289,320 6.052,321 3.791,322 2.835,323 3.668,324 1.151,325 8.697,326 2.627,327 3.97,328 2.948,329 5.595,330 3.591,331 2.683,332 3.118,333 0.8,334 7.729,335 2.43,336 3.48,337 2.742,338 5.009,339 3.176,340 2.238,341 2.786,342 0.4,343 6.017,344 2.091,345 3.362,346 2.738,347 4.999,348 3.058,349 2.171,350 2.61,351 0.149,352 5.919,353 1.91,354 3.318,355 2.474,356 4.935,357 2.941,358 2.05,359 2.339,361 5.745,362 1.757,363 2.85,364 2.035,365 4.171,366 2.538,367 1.596,368 1.981,370 3.802,371 1.499,372 2.713,373 1.883,374 4.13,375 2.374,376 1.474,377 1.792,379 3.758,380 1.262,381 2.603,382 1.712,383 3.564,384 2.265,385 1.298,386 1.605,388 2.838,389 1.235,390 2.369,391 1.331,392 3.483,393 2.146,394 1.193,395 1.324,397 2.604,398 1.13,399 2.109,400 1.235,401 3.406,402 1.989,403 1,404 1.072,406 2.332,407 0.982,408 1.964,409 1.085,410 3.237,411 1.63,412 0.747,413 0.882,415 1.734,416 0.635,417 1.526,418 0.864,419 2.8,420 1.258,421 0.308,422 0.35,424 0.687,425 0.29,426 1.26,427 0.531,428 2.547,429 0.842,435 0.836,436 0.256,437 2.359,438 0.561,439 -0.401,440 -0.403,442 -0.892,443 -0.293,444 14.095,445 0.486,446 0.664,447 0.023,448 34,449 1.172,450 14.5,451 0.5,452 19.5,453 0.672,454 26.267,455 0.906,456 32.705,457 0.606,458 24.363,459 0.84,460 6.639,461 0.229,462 7.369,463 0.254,464 0.16,466 0.277,472 0.771,473 1.589,474 0.608,475 1.084,476 0.582,477 0.992,478 0.867,479 1.011,480 0.707,481 0.85,482 0.576,483 0.909,484 1.038,485 1.171,486 0.924,487 1.065,488 1.009,489 1.055,490 1.151,491 0.852,492 0.916,493 0.888,494 1.416,495 0.934,496 1.008,497 0.968,498 0.688,499 0.857,500 1.21,501 0.907,502 1.23,503 0.971,504 0.87,505 0.844,506 1.433,507 0.899,508 0.693,509 1.003,510 0.708,511 0.837,512 0.539,513 0.893,514 0.715,515 1.138,516 0.695,517 0.918,518 0.606,519 0.865,520 6,521 0.115,522 2.889,523 1.563,524 1.298,525 0.59,526 0.325,527 0.377,528 0.225,529 0.2,530 12661,531 37546,532 2.033,533 46.3,534 2,535 17,537 1,538 2,539 1,540 2,542 1.712,543 1.912,544 3.758,545 0.296,547 1,550 92.619,551 1.715,552 3.631,553 4.778,554 5.334,555 5.408,556 5.408,557 3.224,558 4.651,559 4.832,560 3.972,561 1612.51,562 8.372,563 24079.3,565 1,567 1,568 310.764,569 1.358,570 4.792,571 0.194,572 0.005,573 0.07,574 0.039,575 0.039,576 0.02,577 0.011,578 0.013,579 0.008,580 0.008,581 0.407,582 0.17,583 1,584 0.562,585 152.886,586 -0.059,587 -0.288,588 0.018,589 -0.095,590 -0.015,591 -0.028,592 0.037,593 0.157,594 0.026,595 0.082,596 0.103,597 0.025,598 -0.095,599 -0.146,600 -0.034,601 -0.094,602 -0.061,603 -0.082,604 0.046,605 0.072,606 0.059,607 0.047,608 -0.059,609 0.012,610 -0.017,611 -0.01,612 0.049,613 0.051,614 -0.033,615 0.046,616 -0.124,617 0.021,618 -0.021,619 0.056,620 -0.137,621 0.027,622 0.127,623 0.009,624 0.086,625 0.085,626 0.167,627 0.07,628 0.115,629 -0.155,630 0.177,631 0.008,632 0.144,633 0.103,634 1.559,635 5.242,636 0.621,637 33.322,638 1.01,639 1.136,640 3.475,641 12.078,642 0.667,643 3.466,644 3.738,645 3.912,646 4.078,647 4.234,648 4.127,649 4.094,650 4.143,651 4.22,652 4.304,653 8.352,654 0.629,655 438.4,656 3.466,657 4.977,658 5.784,659 6.621,660 7.44,661 8.278,662 9.1,663 9.937,664 10.762,665 11.599,666 9.3,669 1,671 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 54,705 13,706 1,707 31,709 56,710 20,711 10,712 3,713 3,717 3,718 3,719 2,724 2,725 1,727 2,729 11,730 9,731 1,733 1,737 1,741 1,744 1,747 25,748 7,749 2,750 9,751 2,755 5,760 1,761 2,771 1,776 3,783 1,792 1,796 3,801 1,802 2,805 29,810 7,811 2,812 1,814 1,815 1,824 2,825 3.7,828 1,830 1,832 15.167,833 9.719,834 6.472,835 3.223,836 2.235,837 1.311,838 0.95,839 8.361,840 9.421,841 3.664,842 4.159,843 4.58,844 4.997,845 5.43,846 5.353,847 5.397,848 5.686,849 6.058,850 6.389,851 1,852 40,853 10.718,854 4.425,855 7.761,856 20.497,857 16.381,859 2.261,860 65.556,863 1,864 270.735,865 95.038,866 72.717,867 78.297,868 36.145,871 95.038,872 385.177,873 72.717,874 8.396,875 36.095,876 37.905,877 93.202,878 33.358,879 6.714,880 258.964,881 78.297,882 270.735,883 167.755,884 36.145,885 78.297,887 247.193,888 59.687,891 50.166,892 66.007,893 129.879,895 270.735,896 108.862,897 173.335,900 270.735,901 39.689,902 58.473,903 36.022,904 148.013,905 270.735,906 108.862,907 173.335,909 0.573,910 0.32,911 0.163,912 0.087,913 17,914 8,915 0.143,916 8,918 1,919 4.248,920 228.034,922 18,923 140.881,928 22.096,929 10.974,930 6.997,932 108.862,933 8.547,934 8.493,938 2.819,940 36.022,941 552.933,942 38,946 12.242,950 0.108,952 54.531,953 61.366,954 0.298,955 0.631,956 0.83,957 0.927,958 0.94,959 0.94,960 4.883,961 1.474,962 5.74,963 3.802,964 4.419,965 4.844,966 2.396,967 6.454,968 4.269,969 6.037,970 1.298,971 7.242,972 3.758,973 3.892,974 4.527,975 1.668,976 7.14,977 3.62,978 7.302,979 1.193,980 8.838,981 2.838,982 5.927,983 6.876,984 3.103,985 10.166,986 5.657,987 8.596,988 1,989 10.488,990 2.604,991 6.176,992 7.328,993 3.047,994 11.647,995 5.809,996 9.92,997 0.747,998 12.172,999 2.332,1000 7.677,1001 9.192,1002 4.121,1003 14.166,1004 7.306,1005 11.263,1006 0.308,1007 13.879,1008 1.734,1009 8.306,1010 10.015,1011 4.412,1012 15.996,1013 7.863,1014 12.622,1016 15.604,1017 0.687,1018 9.565,1019 11.658,1020 5.283,1021 18.313,1022 9.106,1023 2.863,1024 -0.401,1025 17.342,1027 10.39,1028 12.684,1029 5.75,1030 20.31,1031 9.877,1032 2.835,1033 8.714,1034 19.089,1035 -0.892,1036 11.532,1037 14.208,1038 6.514,1039 22.538,1040 10.997,1041 2.683,1042 8.697,1043 20.845,1044 3.881,1045 12.46,1046 15.353,1047 7.068,1048 24.615,1049 11.881,1050 2.238,1051 7.729,1052 22.607,1053 3.668,1054 13.546,1055 16.807,1056 7.776,1057 26.804,1058 12.942,1059 2.171,1060 6.017,1061 24.374,1062 3.118,1063 14.527,1064 18.026,1065 8.374,1066 28.922,1067 13.886,1068 2.05,1069 5.919,1070 26.146,1071 2.786,1072 15.587,1073 19.437,1074 9.053,1075 31.094,1076 14.92,1077 1.596,1078 5.745,1079 27.922,1080 2.61,1081 16.596,1082 20.702,1083 9.674,1084 33.231,1085 15.896,1086 12237,1087 21372,1088 20.572,1089 36.029,1090 45.328,1091 46.857,1092 46.108,1093 45.267,1094 44.909,1095 54.817,1096 8.814,1097 121.151,1098 41.325,1099 5.234,1100 5.708,1101 5.747,1102 4.914,1103 4.863,1104 6.881,1105 3.306,1106 14.956,1107 4.812,1108 14.746,1109 1.462,1110 1.512,1111 1.487,1112 1.46,1113 1.449,1114 1.768,1115 0.284,1116 3.908,1117 1.333,1118 3.952,1119 3.99,1120 4.095,1121 3.884,1122 7.428,1123 3.875,1124 3.889,1125 3.932,1126 3.827,1127 3.74,1128 5.073,1129 3.744,1130 3.823,1131 3.872,1132 3.77,1133 3.641,1134 4.993,1135 3.669,1136 3.58,1137 3.655,1138 3.595,1139 3.362,1140 4.633,1141 3.37,1142 3.326,1143 3.395,1144 3.451,1145 3.102,1146 4.441,1147 3.113,1148 3.221,1149 3.301,1150 3.231,1151 3.054,1152 4.354,1153 3.046,1154 3.194,1155 3.247,1156 3.158,1157 2.994,1158 4.195,1159 2.977,1160 2.946,1161 3.047,1162 2.985,1163 2.796,1164 4.05,1165 2.769,1166 0.137,1167 0.12,1168 0.195,1169 0.123,1170 0.092,1171 4.234,1172 0.125,1173 3.708,1174 0.062,1175 6.06,1176 0.281,1177 3.827,1178 0.091,1179 2.863,1180 3.881,1181 1.907,1182 8.714,1183 2.812,1184 1.895,1185 1.88,1186 2.053,1187 2.041,1188 1.411,1189 2.047,1190 1.852,1191 1.796,1192 1.962,1193 1.996,1194 1.134,1195 1.987,1196 1.739,1197 1.69,1198 1.863,1199 1.927,1200 1.072,1201 1.922,1202 1.532,1203 1.459,1204 1.747,1205 1.776,1206 0.829,1207 1.773,1208 1.278,1209 1.205,1210 1.606,1211 1.541,1212 0.759,1213 1.562,1214 1.213,1215 1.126,1216 1.514,1217 1.459,1218 0.748,1219 1.479,1220 1.157,1221 1.113,1222 1.392,1223 1.38,1224 0.572,1225 1.39,1226 0.901,1227 0.824,1228 1.215,1229 1.208,1230 0.4,1231 1.225,1232 4.143,1233 5.425,1235 6.889,1237 8.434,1239 10.021,1241 2.05,1242 12.057,1247 5.204,1248 6.073,1249 5.694,1251 0.071,1252 2.197,1257 33.986,1258 92.619,1259 196.096,1260 258.009,1261 288.009,1262 292.009,1263 292.009,1264 57.902,1265 7.186,1266 79.38,1267 79.38,1268 18,1269 12.169,1270 3.807,1271 3,1272 52.925,1273 146,1274 127,1275 0.17,1276 218.575,1277 380.2,1278 525.083,1279 14814,1280 3.7,1281 20.64,1282 0.712,1283 0.615,1284 21.64,1285 17.84,1286 14.008,1287 0.452,1288 0.334,1289 9.514,1290 12.833,1291 9.239,1292 7.638,1293 14.585,1294 10.365,1295 12.425,1296 0.303,1297 0.193,1298 13.204,1299 7.906,1300 9.75,1301 0.199,1302 0.108,1303 10.366,1304 5.31,1305 7.666,1306 0.132,1307 0.063,1308 8.362,1309 3.646,1310 5.892,1311 0.087,1312 0.035,1313 6.251,1314 2.351,1315 0.28,1316 94.352,1317 0.22,1318 28.571,1319 0.43,1320 144,1321 451.479,1322 190.038,1323 489.684,1324 636.71,1325 456,1326 162,1327 407.239,1328 198.47,1329 429.841,1330 622.07,1331 402,1332 5}
{0 CHEMBL198077,1 1.688,2 14.867,3 3.832,4 14.687,5 121.692,6 7.937,7 0.375,8 4.127,9 4.255,10 3.738,11 3.63,12 5.169,13 3.601,14 4.695,15 4.89,16 4.092,17 4.02,18 5.719,19 3.954,20 4.963,21 5.191,22 4.148,23 4.159,24 5.912,25 4.05,26 5.016,27 5.274,28 4.123,29 4.06,30 6.031,31 3.933,32 4.826,33 5.084,34 3.809,35 3.914,36 5.754,37 3.802,38 4.782,39 5.029,40 3.851,41 3.883,42 5.821,43 3.778,44 4.696,45 4.948,46 3.775,47 3.87,48 5.576,49 3.742,50 4.714,51 4.988,52 3.834,53 3.793,54 5.7,55 3.667,56 0.056,57 0.828,58 11.436,59 4.957,60 6.688,61 6.776,62 0.418,63 1.274,64 24.447,65 8.447,66 33.786,67 11.736,68 0.412,69 1.467,70 37.579,71 11.542,72 44.573,73 16.064,74 0.961,75 1.392,76 48.357,77 11.556,78 85.641,79 16.045,80 0.453,81 1.239,82 32.019,83 9.568,84 49.519,85 13.644,86 0.731,87 1.193,88 32.963,89 8.598,90 72.119,91 12.21,92 0.306,93 1.144,94 27.808,95 8.816,96 31.663,97 12.713,98 0.611,99 1.09,100 31.35,101 8.261,102 56.042,103 12.483,104 17,105 42,106 0.279,107 0.591,108 0.79,109 0.893,110 0.905,111 0.905,112 3.439,113 1.019,114 -4.92,115 -4.83,116 -4.53,119 36.8,121 3,122 1,124 1,125 5,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 2,166 7,169 3,171 3,172 8,176 3,181 1,183 3,186 2,187 8,190 2,191 1,192 2,194 5,198 1,205 2,209 7,212 3,214 2,217 5,221 1,226 2,230 2,231 6,234 2,236 5,238 2,242 2,249 1,252 1692,253 20.137,254 20.137,255 20.137,256 20.137,257 20.137,258 18.455,259 29.676,260 12.222,261 20.85,262 15.804,263 15.804,264 15.804,265 15.804,266 15.804,267 13.24,268 40.406,269 5.853,270 17.035,271 4.144,272 2.26,273 1.057,274 0.434,275 0.364,276 0.364,277 4.123,279 2,282 1,283 1,284 941,285 3.674,288 349.079,295 2.484,296 30.582,299 1,300 0.83,301 0.83,302 1,303 1,304 1,305 1,306 0.95,307 65.167,308 446,309 4.234,310 3.708,311 6.06,312 3.827,313 2.863,314 3.881,315 1.907,316 8.714,317 2.812,318 4.065,319 3.289,320 6.052,321 3.791,322 2.835,323 3.668,324 1.151,325 8.697,326 2.627,327 3.971,328 2.948,329 5.595,330 3.591,331 2.684,332 3.118,333 0.8,334 7.729,335 2.431,336 3.48,337 2.741,338 5.008,339 3.176,340 2.237,341 2.786,342 0.4,343 6.015,344 2.092,345 3.361,346 2.739,347 5.001,348 3.063,349 2.175,350 2.611,351 0.149,352 5.921,353 1.92,354 3.321,355 2.473,356 4.935,357 2.945,358 2.053,359 2.339,361 5.745,362 1.761,363 2.851,364 2.036,365 4.171,366 2.632,367 1.678,368 1.982,370 3.843,371 1.593,372 2.739,373 1.89,374 4.136,375 2.378,376 1.477,377 1.803,379 3.765,380 1.324,381 2.652,382 1.775,383 3.643,384 2.332,385 1.357,386 1.674,388 3.048,389 1.245,390 2.458,391 1.386,392 3.497,393 2.165,394 1.22,395 1.418,397 2.657,398 1.146,399 2.127,400 1.235,401 3.456,402 2.06,403 1.081,404 1.114,406 2.472,407 1.054,408 1.965,409 1.121,410 3.242,411 1.638,412 0.749,413 0.883,415 1.74,416 0.643,417 1.842,418 1.075,419 2.997,420 1.607,421 0.643,422 0.722,424 1.408,425 0.612,426 1.262,427 0.533,428 2.555,429 0.856,435 1.1,436 0.334,437 2.474,438 0.835,439 -0.109,440 -0.122,442 -0.246,443 -0.104,444 14.595,445 0.487,446 0.664,447 0.022,448 34.5,449 1.15,450 14.5,451 0.483,452 20,453 0.667,454 28.067,455 0.936,456 34.005,457 0.597,458 24.577,459 0.819,460 6.645,461 0.221,462 7.863,463 0.262,464 0.155,466 0.267,472 0.767,473 1.586,474 0.622,475 1.099,476 0.579,477 1.011,478 0.856,479 1.033,480 0.719,481 0.88,482 0.57,483 0.936,484 1.033,485 1.211,486 0.912,487 1.067,488 0.993,489 1.049,490 1.14,491 0.787,492 0.91,493 0.857,494 1.395,495 0.913,496 1.082,497 1.05,498 0.697,499 0.871,500 1.25,501 0.904,502 1.192,503 0.809,504 0.887,505 0.816,506 1.507,507 0.911,508 0.792,509 1.201,510 0.738,511 0.976,512 0.67,513 0.996,514 0.599,515 0.926,516 0.695,517 0.841,518 0.464,519 0.857,520 6,521 0.153,522 2.889,523 1.563,524 1.298,525 0.646,526 0.284,527 0.345,528 0.254,529 0.166,530 14278,531 41273,532 2.032,533 47.4,534 2,535 17,537 1,538 2,539 1,540 2,541 2,542 1.72,543 1.915,544 3.835,545 0.276,547 1,550 96.244,551 1.688,552 3.573,553 4.776,554 5.399,555 5.469,556 5.469,557 3.261,558 4.84,559 4.881,560 4.055,561 1763.77,562 8.465,563 27477.5,565 1,568 332.475,569 1.338,570 4.843,571 0.188,572 0.006,573 0.069,574 0.038,575 0.038,576 0.021,577 0.009,578 0.012,579 0.009,580 0.007,581 0.397,582 0.17,583 1,584 0.551,585 160.774,586 -0.051,587 -0.276,588 0.02,589 -0.092,590 -0.007,591 -0.027,592 0.048,593 0.137,594 0.023,595 0.063,596 0.11,597 0.01,598 -0.096,599 -0.19,600 -0.02,601 -0.093,602 -0.052,603 -0.071,604 0.064,605 0.142,606 0.063,607 0.07,608 -0.045,609 0.027,610 -0.105,611 -0.09,612 0.04,613 0.04,614 -0.089,615 0.05,616 -0.048,617 0.193,618 -0.04,619 0.084,620 -0.109,621 0.012,622 -0.037,623 -0.197,624 0.042,625 -0.028,626 0.006,627 -0.012,628 0.265,629 0.04,630 0.168,631 0.073,632 0.267,633 0.102,634 1.519,635 5.237,636 0.6,637 36.4,638 1.007,639 1.137,640 3.69,641 13.618,642 0.663,643 3.497,644 3.761,645 3.932,646 4.094,647 4.248,648 4.143,649 4.094,650 4.143,651 4.205,652 4.277,653 8.825,654 0.623,655 452.43,656 3.497,657 5.004,658 5.808,659 6.642,660 7.459,661 8.294,662 9.114,663 9.949,664 10.772,665 11.607,666 8.8,669 1,671 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 57,705 13,706 1,707 32,709 59,710 21,711 10,712 3,713 3,717 3,718 3,719 2,724 2,725 1,727 3,729 11,730 10,731 1,733 1,737 1,741 1,744 1,747 27,748 7,749 2,750 9,751 2,755 5,760 1,761 2,771 1,776 3,783 1,792 1,796 3,801 1,802 2,805 30,810 8,811 2,812 1,814 1,815 1,824 2,825 3.5,828 1,830 1,832 15.667,833 10.219,834 6.722,835 3.473,836 2.226,837 1.308,838 0.947,839 9,840 9.46,841 3.689,842 4.174,843 4.59,844 5.004,845 5.435,846 5.357,847 5.383,848 5.672,849 6.031,850 6.362,851 0.9,852 41,853 11.096,854 4.567,855 7.735,856 21.314,857 17.047,859 2.235,860 67.056,863 1,864 294.278,865 97.573,866 72.717,867 78.297,868 36.145,871 97.573,872 408.72,873 72.717,874 8.396,875 38.63,876 37.905,877 93.202,878 33.358,879 6.714,880 282.506,881 78.297,882 294.278,883 170.29,884 36.145,885 78.297,887 247.193,888 83.229,891 52.7,892 66.007,893 129.879,895 294.278,896 108.862,897 175.87,900 294.278,901 42.224,902 58.473,903 36.022,904 148.013,905 294.278,906 108.862,907 175.87,909 0.57,910 0.318,911 0.162,912 0.087,913 17,914 8,915 0.153,916 9,918 1,919 4.37,920 236.138,922 18,923 147.207,928 23.074,929 11.702,930 7.558,932 108.862,933 8.598,934 8.543,938 2.897,940 36.022,941 579.009,942 39,946 12.237,950 0.147,952 57.414,953 64.781,954 0.289,955 0.613,956 0.819,957 0.926,958 0.938,959 0.938,960 4.905,961 1.477,962 5.759,963 3.843,964 4.443,965 4.86,966 2.396,967 6.466,968 4.297,969 6.053,970 1.357,971 7.256,972 3.765,973 3.892,974 4.527,975 1.668,976 7.14,977 3.62,978 7.315,979 1.22,980 8.848,981 3.048,982 5.943,983 6.882,984 3.103,985 10.17,986 5.678,987 8.606,988 1.081,989 10.495,990 2.657,991 6.176,992 7.328,993 3.047,994 11.647,995 5.809,996 9.927,997 0.749,998 12.177,999 2.472,1000 7.687,1001 9.194,1002 4.121,1003 14.167,1004 7.319,1005 11.268,1006 0.643,1007 13.883,1008 1.74,1009 8.306,1010 10.015,1011 4.412,1012 15.996,1013 7.863,1014 12.626,1016 15.606,1017 1.408,1018 9.57,1019 11.659,1020 5.283,1021 18.313,1022 9.114,1023 2.863,1024 -0.109,1025 17.343,1027 10.39,1028 12.684,1029 5.75,1030 20.31,1031 9.877,1032 2.835,1033 8.714,1034 19.09,1035 -0.246,1036 11.535,1037 14.208,1038 6.514,1039 22.538,1040 11.001,1041 2.684,1042 8.697,1043 20.845,1044 3.881,1045 12.46,1046 15.353,1047 7.068,1048 24.615,1049 11.881,1050 2.237,1051 7.729,1052 22.607,1053 3.668,1054 13.548,1055 16.807,1056 7.776,1057 26.804,1058 12.944,1059 2.175,1060 6.015,1061 24.375,1062 3.118,1063 14.527,1064 18.026,1065 8.374,1066 28.922,1067 13.887,1068 2.053,1069 5.921,1070 26.146,1071 2.786,1072 15.588,1073 19.437,1074 9.053,1075 31.094,1076 14.921,1077 1.678,1078 5.745,1079 27.922,1080 2.611,1081 16.596,1082 20.702,1083 9.674,1084 33.231,1085 15.897,1086 13788,1087 23776,1088 21.266,1089 37.79,1090 46.53,1091 47.925,1092 47.337,1093 46.442,1094 46.102,1095 55.999,1096 8.814,1097 123.508,1098 42.521,1099 5.234,1100 5.708,1101 5.83,1102 4.913,1103 4.863,1104 6.881,1105 3.306,1106 14.956,1107 4.812,1108 15.181,1109 1.454,1110 1.498,1111 1.479,1112 1.451,1113 1.441,1114 1.75,1115 0.275,1116 3.86,1117 1.329,1118 3.953,1119 3.991,1120 4.095,1121 3.884,1122 7.428,1123 3.876,1124 3.89,1125 3.934,1126 3.826,1127 3.742,1128 5.073,1129 3.745,1130 3.827,1131 3.876,1132 3.775,1133 3.646,1134 4.993,1135 3.673,1136 3.633,1137 3.705,1138 3.595,1139 3.453,1140 4.633,1141 3.449,1142 3.382,1143 3.447,1144 3.491,1145 3.147,1146 4.44,1147 3.164,1148 3.23,1149 3.319,1150 3.27,1151 3.06,1152 4.356,1153 3.055,1154 3.206,1155 3.257,1156 3.193,1157 2.997,1158 4.205,1159 2.981,1160 3.06,1161 3.153,1162 2.996,1163 2.839,1164 4.052,1165 2.841,1166 0.132,1167 0.116,1168 0.189,1169 0.12,1170 0.089,1171 4.234,1172 0.121,1173 3.708,1174 0.06,1175 6.06,1176 0.272,1177 3.827,1178 0.088,1179 2.863,1180 3.881,1181 1.907,1182 8.714,1183 2.812,1184 1.895,1185 1.88,1186 2.054,1187 2.041,1188 1.411,1189 2.048,1190 1.853,1191 1.797,1192 1.962,1193 1.999,1194 1.206,1195 1.989,1196 1.748,1197 1.696,1198 1.916,1199 1.932,1200 1.133,1201 1.934,1202 1.609,1203 1.543,1204 1.784,1205 1.82,1206 0.837,1207 1.822,1208 1.315,1209 1.25,1210 1.61,1211 1.584,1212 0.771,1213 1.587,1214 1.224,1215 1.129,1216 1.539,1217 1.483,1218 0.75,1219 1.513,1220 1.163,1221 1.119,1222 1.402,1223 1.391,1224 0.586,1225 1.4,1226 1.045,1227 0.95,1228 1.369,1229 1.307,1230 0.551,1231 1.339,1232 4.174,1233 5.451,1235 6.909,1237 8.45,1239 10.032,1241 2.061,1242 12.071,1247 6.3,1248 6.182,1249 5.709,1251 0.1,1252 2.211,1257 35.513,1258 96.244,1259 203.672,1260 272.21,1261 307.72,1262 311.72,1263 311.72,1264 61.757,1265 7.234,1266 79.38,1267 79.38,1268 18,1269 12.179,1270 3.807,1271 3,1272 55.859,1273 160,1274 136,1275 0.163,1276 228.167,1277 397.5,1278 548.488,1279 16171,1280 3.5,1281 21.347,1282 0.712,1283 0.618,1284 22.347,1285 18.547,1286 14.508,1287 0.453,1288 0.34,1289 10.014,1290 13.333,1291 9.73,1292 8.054,1293 15.085,1294 10.865,1295 12.779,1296 0.304,1297 0.197,1298 13.558,1299 8.259,1300 10,1301 0.2,1302 0.111,1303 10.616,1304 5.539,1305 7.843,1306 0.133,1307 0.064,1308 8.539,1309 3.786,1310 6.013,1311 0.087,1312 0.036,1313 6.371,1314 2.457,1315 0.271,1316 97.352,1317 0.217,1318 29.544,1319 0.408,1320 148,1321 455.479,1322 194.038,1323 493.845,1324 642.47,1325 460,1326 166,1327 411.239,1328 202.442,1329 434.001,1330 627.79,1331 406,1332 5}
{0 CHEMBL199374,1 1.768,2 14.484,3 3.607,4 13.011,5 120.619,6 8.705,7 0.5,8 4.088,9 4.203,10 3.79,11 3.6,12 5.198,13 3.597,14 4.64,15 4.823,16 4.171,17 3.99,18 5.734,19 3.966,20 4.844,21 5.034,22 4.205,23 4.127,24 5.9,25 4.058,26 4.92,27 5.138,28 4.206,29 4.06,30 6.038,31 3.973,32 4.797,33 5.03,34 3.952,35 3.948,36 5.824,37 3.871,38 4.748,39 4.971,40 3.995,41 3.932,42 5.779,43 3.865,44 4.702,45 4.919,46 3.917,47 3.901,48 5.776,49 3.82,50 4.654,51 4.903,52 3.887,53 3.835,54 5.625,55 3.735,56 0.089,57 0.815,58 8.488,59 4.323,60 7.35,61 5.443,62 0.519,63 1.275,64 20.251,65 7.067,66 27.178,67 9.089,68 0.508,69 1.418,70 29.179,71 9.752,72 42.043,73 12.316,74 0.915,75 1.401,76 40.62,77 10.498,78 83.301,79 13.365,80 0.675,81 1.297,82 29.118,83 9.371,84 59.136,85 12.391,86 0.61,87 1.257,88 29.107,89 8.645,90 48.769,91 11.391,92 0.644,93 1.219,94 25.183,95 7.967,96 56.262,97 10.456,98 0.491,99 1.132,100 27.026,101 8.075,102 36.892,103 11.369,104 17,105 47,106 0.293,107 0.621,108 0.791,109 0.834,110 0.859,111 0.859,112 3.471,113 0.938,114 -4.83,115 -4.74,116 -4.45,119 39.6,121 1,124 1,125 5,138 4,139 1,140 2,141 1,142 1,143 1,146 1,147 1,151 1,153 1,163 2,165 6,166 7,172 7,175 1,176 2,183 3,186 4,187 5,194 4,197 5,198 2,205 1,209 6,217 3,220 4,221 5,230 1,231 7,238 1,241 3,242 3,249 1,252 1768,253 20.825,254 20.825,255 20.825,256 20.825,257 20.825,258 18.521,259 29.197,260 12.24,261 21.685,262 16.776,263 16.776,264 16.776,265 16.776,266 16.776,267 13.318,268 39.513,269 5.847,270 18.259,271 3.96,272 1.981,273 0.958,274 0.693,275 0.543,276 0.543,277 4.166,279 2,282 1,283 1,284 970,285 3.24,287 101.887,288 336.375,295 2.468,296 31.753,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 67.667,308 449,309 4.237,310 3.747,311 6.194,312 3.877,313 2.948,314 3.881,315 2.015,316 9.24,317 2.767,318 4.176,319 3.291,320 6.06,321 3.792,322 2.859,323 3.727,324 1.151,325 8.713,326 2.634,327 4.128,328 3.138,329 6.027,330 3.733,331 2.796,332 3.721,333 0.8,334 8.649,335 2.59,336 3.882,337 2.844,338 5.523,339 3.522,340 2.594,341 3.091,342 0.625,343 7.452,344 2.404,345 3.588,346 2.794,347 5.308,348 3.254,349 2.344,350 2.83,351 0.111,352 6.829,353 2.128,354 3.447,355 2.687,356 4.955,357 2.987,358 2.106,359 2.744,361 5.802,362 1.779,363 3.122,364 2.295,365 4.689,366 2.794,367 1.863,368 2.276,370 5.127,371 1.723,372 2.899,373 2.066,374 4.375,375 2.502,376 1.584,377 2.006,379 4.216,380 1.447,381 2.833,382 2.024,383 4.167,384 2.365,385 1.454,386 1.94,388 3.751,389 1.246,390 2.654,391 1.632,392 3.936,393 2.192,394 1.237,395 1.684,397 3.057,398 1.168,399 2.314,400 1.189,401 3.488,402 1.967,403 1.01,404 1.243,406 2.508,407 0.965,408 2.199,409 1.146,410 3.414,411 1.958,412 1,413 1.05,415 2.275,416 0.951,417 2,418 1.079,419 3.27,420 1.639,421 0.745,422 1,424 1.731,425 0.659,426 1.963,427 0.827,428 3.238,429 1.629,430 0.717,431 0.88,433 1.709,434 0.634,435 1.261,436 0.531,437 2.715,438 0.842,444 14.995,445 0.484,446 0.784,447 0.025,448 40.5,449 1.306,450 18.5,451 0.597,452 22,453 0.71,454 26.272,455 0.847,456 33.605,457 0.634,458 29.868,459 0.963,460 8.085,461 0.261,462 6.889,463 0.222,464 0.151,466 0.313,472 0.751,473 1.695,474 0.555,475 1.104,476 0.556,477 0.96,478 0.946,479 0.908,480 0.677,481 0.7,482 0.61,483 0.762,484 1.156,485 1.171,486 1.004,487 1.086,488 1.114,489 1.092,490 1.156,491 0.964,492 0.982,493 1.011,494 1.362,495 1.049,496 1.006,497 0.874,498 0.695,499 0.825,500 1.363,501 0.894,502 1.035,503 1.073,504 0.815,505 0.956,506 0.85,507 0.953,508 1.092,509 1.009,510 0.855,511 0.877,512 1.077,513 1.008,514 0.645,515 1.005,516 0.747,517 0.966,518 0.563,519 0.969,520 7,521 0.164,522 3.556,523 1.882,524 1.338,525 0.997,526 0.454,527 0.455,528 0.371,529 0.178,530 15057,531 48121,532 2.084,533 41.5,535 17,536 1,537 2,539 2,542 1.731,543 1.958,544 3.796,545 -0.671,547 1,550 93.724,551 1.768,552 3.747,553 4.77,554 5.034,555 5.185,556 5.185,557 3.256,558 4.696,559 4.923,560 3.981,561 1851.27,562 8.569,563 28030.1,568 303.58,569 1.383,570 4.888,571 0.206,572 0.006,573 0.076,574 0.042,575 0.034,576 0.027,577 0.012,578 0.013,579 0.012,580 0.006,581 0.435,582 0.17,583 0.88,584 0.541,585 165.247,586 -0.047,587 -0.465,588 0.031,589 -0.181,590 -0.011,591 -0.073,592 -0.004,593 0.248,594 0.042,595 0.183,596 0.061,597 0.117,598 -0.182,599 -0.126,600 -0.119,601 -0.129,602 -0.136,603 -0.149,604 0.008,605 -0.003,606 -0.011,607 -0.057,608 -0.049,609 -0.094,610 0.004,611 0.093,612 0.043,613 0.097,614 -0.107,615 0.07,616 -0.057,617 -0.082,618 0.008,619 -0.021,620 -0.019,621 0.008,622 -0.083,623 0.021,624 -0.084,625 0.03,626 -0.047,627 -0.079,628 0.105,629 -0.021,630 0.107,631 -0.018,632 0.122,633 0.031,634 1.587,635 5.53,636 0.742,637 39.003,638 1.016,639 1.133,640 3.601,641 12.965,642 0.689,643 3.555,644 3.871,645 4.094,646 4.304,647 4.466,648 4.489,649 4.575,650 4.663,651 4.787,652 4.883,653 8.306,654 0.66,655 461.39,656 3.555,657 5.094,658 5.927,659 6.788,660 7.632,661 8.493,662 9.341,663 10.201,664 11.051,665 11.912,666 11.3,672 1,673 1,674 1,676 3,681 7,682 3,686 6,687 1,688 17,699 1,701 1,702 2,703 53,705 18,706 1,707 34,709 56,710 21,711 13,712 3,713 3,717 4,718 4,719 2,727 1,729 14,730 7,733 1,737 1,741 1,744 1,747 22,748 7,750 10,751 2,753 1,755 6,760 1,761 2,771 1,775 1,776 3,784 1,796 4,801 1,802 2,805 31,810 6,812 1,815 2,824 2,825 3.8,828 1,830 1,832 15.833,833 9.902,834 6.75,835 3.064,836 2.873,837 1.37,838 0.978,839 7.078,840 10.63,841 3.795,842 4.36,843 4.839,844 5.318,845 5.669,846 5.699,847 5.882,848 6.107,849 6.455,850 6.789,851 0.9,852 45,853 11.44,854 4.812,855 7.771,856 21.73,857 17.535,859 2.271,860 70.389,863 1,864 258.964,865 112.926,866 58.504,867 78.297,868 36.145,871 112.926,872 373.406,873 58.504,874 8.396,875 18.674,876 46.952,877 112.367,878 38.014,879 18.485,880 223.651,881 78.297,882 258.964,883 171.431,884 36.145,885 78.297,887 258.964,888 36.145,891 42.895,892 78.179,893 128.654,895 258.964,896 94.649,897 191.224,900 258.964,901 39.912,902 81.163,904 164.799,905 258.964,906 94.649,907 191.224,909 0.584,910 0.333,911 0.171,912 0.088,913 22,914 10,915 0.107,916 6,918 1,919 4.386,920 266.55,922 23,923 149.58,928 22.028,929 9.96,930 5.744,932 92.75,933 12.222,934 13.097,938 3.778,939 1.841,941 544.837,942 43.5,946 12.53,950 0.08,952 53.865,953 60.033,954 0.309,955 0.654,956 0.833,957 0.879,958 0.905,959 0.905,960 5.032,961 1.584,962 5.905,963 5.127,964 4.554,965 5.047,966 2.503,967 6.666,968 4.389,969 6.219,970 1.454,971 7.437,972 4.216,973 4.111,974 4.783,975 1.738,976 7.434,977 3.818,978 7.508,979 1.237,980 9.059,981 3.751,982 6.111,983 7.147,984 3.309,985 10.472,986 5.802,987 8.824,988 1.01,989 10.734,990 3.057,991 6.447,992 7.656,993 3.266,994 12.027,995 6.018,996 10.168,997 1,998 12.442,999 2.508,1000 7.916,1001 9.503,1002 4.445,1003 14.556,1004 7.464,1005 11.53,1006 0.745,1007 14.171,1008 2.275,1009 8.613,1010 10.378,1011 4.765,1012 16.447,1013 8.055,1014 12.905,1015 0.717,1016 15.917,1017 1.731,1018 9.854,1019 11.993,1020 5.725,1021 18.78,1022 9.261,1023 2.948,1025 17.674,1026 1.709,1027 10.728,1028 13.062,1029 6.226,1030 20.827,1031 10.041,1032 2.859,1033 9.24,1034 19.44,1036 11.865,1037 14.557,1038 7.068,1039 23.079,1040 11.133,1041 2.796,1042 8.713,1043 21.214,1044 3.881,1045 12.829,1046 15.734,1047 7.661,1048 25.2,1049 12.011,1050 2.594,1051 8.649,1052 22.993,1053 3.727,1054 13.919,1055 17.163,1056 8.439,1057 27.417,1058 13.048,1059 2.344,1060 7.452,1061 24.777,1062 3.721,1063 14.928,1064 18.404,1065 9.08,1066 29.575,1067 13.978,1068 2.106,1069 6.829,1070 26.564,1071 3.091,1072 15.998,1073 19.795,1074 9.824,1075 31.78,1076 14.989,1077 1.863,1078 5.802,1079 28.355,1080 2.83,1081 17.029,1082 21.074,1083 10.492,1084 33.957,1085 15.946,1086 14232,1087 25645,1088 22.77,1089 36.512,1090 51.062,1091 52.215,1092 51.878,1093 50.808,1094 50.512,1095 64.145,1096 9.403,1097 142.12,1098 46.192,1099 5.237,1100 5.747,1101 5.746,1102 4.967,1103 4.948,1104 6.881,1105 3.529,1106 15.584,1107 4.767,1108 15.381,1109 1.502,1110 1.536,1111 1.526,1112 1.494,1113 1.486,1114 1.887,1115 0.277,1116 4.18,1117 1.359,1118 3.989,1119 4.045,1120 4.095,1121 3.886,1122 7.427,1123 3.879,1124 3.926,1125 3.966,1126 3.916,1127 3.773,1128 5.067,1129 3.798,1130 3.869,1131 3.913,1132 3.838,1133 3.679,1134 4.988,1135 3.708,1136 3.71,1137 3.765,1138 3.642,1139 3.516,1140 4.925,1141 3.535,1142 3.38,1143 3.431,1144 3.59,1145 3.158,1146 4.633,1147 3.178,1148 3.213,1149 3.254,1150 3.286,1151 3.057,1152 4.435,1153 3.05,1154 3.111,1155 3.206,1156 3.189,1157 2.941,1158 4.247,1159 2.91,1160 3.011,1161 3.106,1162 2.878,1163 2.797,1164 4.05,1165 2.773,1166 0.125,1167 0.11,1168 0.182,1169 0.114,1170 0.087,1171 4.237,1172 0.114,1173 3.747,1174 0.059,1175 6.194,1176 0.272,1177 3.877,1178 0.081,1179 2.948,1180 3.881,1181 2.015,1182 9.24,1183 2.767,1184 1.896,1185 1.881,1186 1.984,1187 2.053,1188 1.281,1189 2.034,1190 1.818,1191 1.759,1192 1.957,1193 1.964,1194 1.133,1195 1.973,1196 1.678,1197 1.635,1198 1.806,1199 1.873,1200 0.966,1201 1.855,1202 1.583,1203 1.517,1204 1.767,1205 1.824,1206 0.825,1207 1.813,1208 1.467,1209 1.395,1210 1.671,1211 1.69,1212 0.788,1213 1.686,1214 1.161,1215 1.12,1216 1.513,1217 1.391,1218 0.756,1219 1.429,1220 1.153,1221 1.064,1222 1.392,1223 1.376,1224 0.573,1225 1.393,1226 1.016,1227 0.963,1228 1.196,1229 1.292,1230 0.367,1231 1.264,1232 4.234,1233 5.549,1234 2.398,1235 7.041,1236 4.595,1237 8.611,1238 6.529,1239 10.219,1241 1.891,1242 12.13,1247 3.123,1249 5.793,1252 3.904,1257 34.954,1258 93.724,1259 198.57,1260 252.825,1261 266.825,1262 274.825,1263 274.825,1264 53.45,1265 7.757,1266 76.38,1267 76.38,1268 23,1269 12.464,1270 4.248,1271 3.392,1272 49.774,1273 154,1274 148,1275 0.154,1276 221.713,1277 379.96,1278 532.741,1279 28624,1280 3.8,1281 21.794,1282 0.703,1283 0.598,1284 22.794,1285 18.552,1286 14.974,1287 0.44,1288 0.313,1289 9.747,1290 13.678,1291 9.462,1292 7.774,1293 15.552,1294 10.627,1295 13.698,1296 0.291,1297 0.173,1298 14.477,1299 8.138,1300 11.175,1301 0.189,1302 0.095,1303 11.79,1304 5.601,1305 9.072,1306 0.124,1307 0.052,1308 9.768,1309 3.799,1310 6.814,1311 0.079,1312 0.028,1313 7.172,1314 2.426,1315 0.25,1316 100.846,1317 0.21,1318 29.906,1319 0.397,1320 162,1321 521.749,1322 211.202,1323 557.246,1324 735.6,1325 520,1326 187,1327 489.661,1328 227.855,1329 512.618,1330 745.14,1331 479,1332 5}
{0 CHEMBL199466,1 1.665,2 13.733,3 3.302,4 10.904,5 122.579,6 8.026,7 0.364,8 4.125,9 4.258,10 3.756,11 3.645,12 5.136,13 3.617,14 4.712,15 4.91,16 4.138,17 4.069,18 5.691,19 4.005,20 5.015,21 5.252,22 4.224,23 4.238,24 5.932,25 4.133,26 5.044,27 5.286,28 4.199,29 4.161,30 6.061,31 4.046,32 4.941,33 5.196,34 3.94,35 4.072,36 5.893,37 3.955,38 4.89,39 5.144,40 3.935,41 4.069,42 5.738,43 3.932,44 4.908,45 5.201,46 3.855,47 3.981,48 5.758,49 3.83,50 4.708,51 4.998,52 3.851,53 3.795,54 5.607,55 3.684,56 0.045,57 0.862,58 11.044,59 4.707,60 6.067,61 6.57,62 0.36,63 1.382,64 23.835,65 8.189,66 26.055,67 11.658,68 0.421,69 1.633,70 38.926,71 11.834,72 38.944,73 16.775,74 0.725,75 1.564,76 46.754,77 11.683,78 77.351,79 16.207,80 0.682,81 1.465,82 36.037,83 10.585,84 66.724,85 15.049,86 0.391,87 1.431,88 34.186,89 10.598,90 38.011,91 15.552,92 0.516,93 1.357,94 37.319,95 10.602,96 51.458,97 15.822,98 0.479,99 1.108,100 31.698,101 8.091,102 38.882,103 12.276,104 10,105 45,106 0.275,107 0.583,108 0.739,109 0.813,110 0.837,111 0.837,112 3.44,113 1.01,114 -4.92,115 -4.83,116 -4.53,119 37.5,121 2,122 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 4,166 4,169 1,171 4,172 8,175 1,176 4,181 2,183 3,187 2,190 2,192 3,194 4,197 3,198 2,201 2,205 1,209 7,214 1,217 3,220 2,221 5,224 1,231 11,234 1,238 1,242 2,245 1,247 1,249 1,252 1584,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 18.797,259 33.376,260 12.151,261 21.135,262 16.276,263 16.276,264 16.276,265 16.276,266 16.276,267 13.769,268 51.437,269 5.778,270 17.491,271 4.142,272 2.283,273 1.34,274 0.893,275 0.75,276 0.75,277 4.138,279 2,282 1,283 1,284 893,285 3,288 430.239,295 2.351,296 29.055,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 64.667,308 412,309 4.237,310 3.82,311 6.396,312 3.965,313 3,314 3.881,315 1.94,316 9.692,317 2.914,318 4.18,319 3.269,320 6.163,321 3.81,322 2.875,323 3.725,324 0.8,325 9.147,326 2.66,327 4.089,328 3.126,329 6.059,330 3.758,331 2.83,332 3.27,333 0.657,334 8.708,335 2.602,336 3.61,337 2.766,338 5.332,339 3.34,340 2.402,341 2.839,342 0.555,343 6.89,344 2.248,345 3.451,346 2.596,347 5.216,348 3.115,349 2.18,350 2.748,351 0.4,352 6.317,353 2.034,354 3.226,355 2.405,356 4.955,357 2.981,358 2.095,359 2.256,361 5.8,362 1.777,363 2.876,364 2.181,365 4.346,366 2.56,367 1.623,368 1.991,370 4.134,371 1.514,372 2.821,373 2.02,374 4.165,375 2.387,376 1.482,377 1.905,379 3.743,380 1.295,381 2.65,382 1.612,383 3.864,384 2.3,385 1.378,386 1.669,388 3.23,389 1.233,390 2.386,391 1.583,392 3.493,393 2.063,394 1.116,395 1.371,397 2.566,398 1.053,399 2.053,400 1.159,401 3.414,402 1.984,403 1,404 1,406 2.275,407 0.983,408 2,409 1.146,410 3.324,411 1.967,412 1,413 1,415 2.136,416 0.965,417 2,418 1.077,419 3.247,420 1.726,421 0.749,422 0.885,424 1.782,425 0.712,426 1.962,427 0.994,428 3.236,429 1.664,430 0.708,431 0.852,433 1.715,434 0.662,435 1.261,436 0.436,437 2.581,438 0.863,444 14.662,445 0.489,446 0.661,447 0.022,448 35.25,449 1.175,450 14.5,451 0.483,452 20.75,453 0.692,454 28.64,455 0.955,456 33.338,457 0.595,458 24.916,459 0.831,460 6.676,461 0.223,462 7.921,463 0.264,464 0.12,466 0.293,472 0.748,473 1.612,474 0.606,475 1.056,476 0.535,477 0.975,478 0.812,479 1.077,480 0.711,481 0.874,482 0.557,483 0.933,484 1.006,485 1.122,486 0.872,487 0.981,488 0.917,489 0.982,490 1.353,491 1.017,492 0.957,493 0.978,494 1.752,495 1.022,496 1.134,497 0.824,498 0.798,499 0.804,500 1.534,501 0.917,502 0.692,503 1.179,504 0.785,505 1.083,506 0.548,507 1.089,508 0.681,509 0.922,510 0.704,511 0.813,512 0.458,513 0.853,514 0.734,515 0.832,516 0.64,517 0.713,518 0.552,519 0.7,520 5.5,521 0.136,522 3.556,523 1.75,524 1.289,525 0.792,526 0.422,527 0.46,528 0.312,529 0.166,530 13553,531 38226,532 2.107,533 46.4,535 18,537 1,538 2,539 1,540 4,542 1.723,543 2,544 3.726,545 0.276,547 1,550 93.252,551 1.665,552 3.525,553 4.468,554 4.914,555 5.057,556 5.057,557 3.203,558 4.548,559 4.877,560 3.903,561 1698.01,562 8.478,563 24773.3,565 1,568 325.212,569 1.295,570 4.851,571 0.167,572 0.005,573 0.079,574 0.038,575 0.033,576 0.022,577 0.012,578 0.015,579 0.01,580 0.006,581 0.388,582 0.17,583 1,584 0.496,585 157.54,586 -0.053,587 -0.312,588 0.023,589 -0.082,590 0.008,591 -0.018,592 0.034,593 0.114,594 0.008,595 0.046,596 0.066,597 -0.004,598 -0.084,599 -0.095,600 -0.005,601 -0.024,602 -0.028,603 -0.015,604 -0.115,605 -0.044,606 -0.021,607 -0.042,608 -0.169,609 -0.083,610 -0.055,611 0.163,612 -0.043,613 0.101,614 -0.143,615 0.021,616 0.032,617 -0.18,618 -0.008,619 -0.132,620 0.053,621 -0.103,622 0.106,623 0.004,624 0.115,625 0.109,626 0.168,627 0.124,628 0.15,629 0.106,630 0.234,631 0.202,632 0.163,633 0.264,634 1.368,635 5.738,636 0.8,637 35.52,638 1.005,639 1.137,640 3.69,641 13.618,642 0.671,643 3.526,644 3.829,645 4.078,646 4.277,647 4.489,648 4.477,649 4.575,650 4.682,651 4.787,652 4.883,653 7.912,654 0.63,655 449.43,656 3.526,657 5.056,658 5.894,659 6.751,660 7.6,661 8.459,662 9.312,663 10.173,664 11.028,665 11.888,666 10.7,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 56,705 13,706 1,707 33,709 59,710 21,711 10,712 3,713 3,717 4,718 4,719 2,724 2,725 1,727 2,729 11,730 10,731 1,733 1,737 1,741 1,744 1,747 26,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,791 1,796 4,802 2,805 30,810 9,811 2,814 1,815 2,824 2,825 1.8,828 1,832 15,833 9.752,834 6.611,835 3.51,836 2.261,837 1.293,838 0.981,839 7.31,840 9.968,841 3.714,842 4.22,843 4.687,844 5.109,845 5.552,846 5.565,847 5.727,848 6.018,849 6.379,850 6.717,851 1,852 46,853 11.13,854 4.722,855 7.669,856 21.596,857 17.973,859 2.169,860 65.056,863 1,864 282.506,865 85.88,866 75.841,867 78.297,868 25.145,871 85.88,872 385.949,873 75.841,875 22.933,876 55.916,877 93.202,878 22.359,879 4.227,880 270.735,881 78.297,882 282.506,883 161.721,884 25.145,885 78.297,887 235.422,888 72.229,891 51.891,892 58.249,893 129.879,895 282.506,896 100.986,897 164.177,900 282.506,901 38.927,902 53.201,903 36.022,904 137.013,905 282.506,906 100.986,907 164.177,909 0.579,910 0.337,911 0.175,912 0.093,913 21,914 9,915 0.085,916 5,918 1,919 4.288,920 257.098,922 24,923 139.207,928 21.628,929 10.14,930 5.566,932 100.986,933 9.042,934 9.068,938 3.603,940 36.022,941 547.67,942 40,946 12.738,950 0.298,952 56.305,953 63.654,954 0.287,955 0.607,956 0.769,957 0.846,958 0.871,959 0.871,960 4.956,961 1.482,962 5.861,963 4.134,964 4.511,965 4.905,966 2.286,967 6.627,968 4.372,969 6.11,970 1.378,971 7.394,972 3.743,973 4.007,974 4.59,975 1.738,976 7.431,977 3.744,978 7.386,979 1.116,980 9.027,981 3.23,982 6.066,983 6.94,984 3.012,985 10.497,986 5.811,987 8.692,988 1,989 10.717,990 2.566,991 6.382,992 7.424,993 3.144,994 12.117,995 6.027,996 10.03,997 1,998 12.445,999 2.275,1000 7.888,1001 9.268,1002 4.139,1003 14.678,1004 7.526,1005 11.389,1006 0.749,1007 14.198,1008 2.136,1009 8.587,1010 10.122,1011 4.541,1012 16.635,1013 8.148,1014 12.764,1015 0.708,1016 15.969,1017 1.782,1018 9.854,1019 11.744,1020 5.383,1021 19.009,1022 9.393,1023 3,1025 17.753,1026 1.715,1027 10.742,1028 12.793,1029 5.912,1030 21.116,1031 10.221,1032 2.875,1033 9.692,1034 19.547,1036 11.901,1037 14.3,1038 6.67,1039 23.414,1040 11.349,1041 2.83,1042 9.147,1043 21.348,1044 3.881,1045 12.883,1046 15.461,1047 7.263,1048 25.591,1049 12.282,1050 2.402,1051 8.708,1052 23.155,1053 3.725,1054 13.992,1055 16.903,1056 7.976,1057 27.858,1058 13.358,1059 2.18,1060 6.89,1061 24.968,1062 3.27,1063 15.021,1064 18.132,1065 8.602,1066 30.069,1067 14.345,1068 2.095,1069 6.317,1070 26.784,1071 2.839,1072 16.11,1073 19.535,1074 9.292,1075 32.324,1076 15.4,1077 1.623,1078 5.8,1079 28.603,1080 2.748,1081 17.162,1082 20.806,1083 9.936,1084 34.553,1085 16.415,1086 12775,1087 21683,1088 22.364,1089 37.58,1090 49.243,1091 50.489,1092 50.057,1093 49.276,1094 48.873,1095 58.787,1096 8.706,1097 136.266,1098 45.302,1099 5.237,1100 5.82,1101 6.198,1102 5.038,1103 5,1104 6.881,1105 3.348,1106 16.454,1107 4.914,1108 12.861,1109 1.492,1110 1.53,1111 1.517,1112 1.493,1113 1.481,1114 1.781,1115 0.264,1116 4.129,1117 1.373,1118 3.982,1119 4.035,1120 4.096,1121 3.892,1122 7.427,1123 3.884,1124 3.903,1125 3.938,1126 3.88,1127 3.762,1128 5.033,1129 3.773,1130 3.832,1131 3.887,1132 3.762,1133 3.666,1134 4.976,1135 3.683,1136 3.68,1137 3.749,1138 3.601,1139 3.497,1140 4.629,1141 3.504,1142 3.297,1143 3.366,1144 3.558,1145 3.1,1146 4.371,1147 3.1,1148 3.224,1149 3.288,1150 3.239,1151 2.989,1152 4.279,1153 3.017,1154 3.111,1155 3.206,1156 3.151,1157 2.941,1158 4.2,1159 2.91,1160 3.111,1161 3.206,1162 2.895,1163 2.941,1164 4.016,1165 2.91,1166 0.128,1167 0.116,1168 0.194,1169 0.12,1170 0.091,1171 4.237,1172 0.118,1173 3.82,1174 0.059,1175 6.396,1176 0.294,1177 3.965,1178 0.088,1179 3,1180 3.881,1181 1.94,1182 9.692,1183 2.914,1184 1.906,1185 1.885,1186 2.053,1187 2.075,1188 1.401,1189 2.066,1190 1.864,1191 1.81,1192 1.981,1193 2.008,1194 1.26,1195 2.009,1196 1.781,1197 1.724,1198 1.946,1199 1.952,1200 1.154,1201 1.962,1202 1.638,1203 1.574,1204 1.787,1205 1.838,1206 0.825,1207 1.833,1208 1.227,1209 1.161,1210 1.513,1211 1.482,1212 0.825,1213 1.474,1214 1.153,1215 1.088,1216 1.513,1217 1.416,1218 0.812,1219 1.429,1220 1.153,1221 1.064,1222 1.453,1223 1.376,1224 0.612,1225 1.429,1226 1.149,1227 1.064,1228 1.383,1229 1.376,1230 0.584,1231 1.413,1232 4.205,1233 5.509,1235 7.013,1237 8.598,1239 10.222,1242 12.199,1247 7.198,1248 6.613,1251 0.168,1252 4.129,1257 35.293,1258 93.252,1259 197.382,1260 250.192,1261 275.212,1262 283.212,1263 283.212,1264 53.469,1265 7.707,1266 73.39,1267 73.39,1268 24,1269 12.439,1270 3.807,1271 3,1272 47.344,1273 142,1274 136,1275 0.159,1276 223.572,1277 387.35,1278 537.276,1279 26538,1280 3.6,1281 20.924,1282 0.697,1283 0.61,1284 21.924,1285 18.293,1286 14.597,1287 0.442,1288 0.337,1289 10.266,1290 13.462,1291 10.04,1292 8.21,1293 15.175,1294 11.109,1295 12.958,1296 0.288,1297 0.189,1298 13.737,1299 8.511,1300 10.998,1301 0.19,1302 0.108,1303 11.614,1304 6.267,1305 8.817,1306 0.124,1307 0.062,1308 9.513,1309 4.379,1310 6.985,1311 0.079,1312 0.034,1313 7.344,1314 2.998,1315 0.257,1316 97.479,1317 0.211,1318 28.982,1319 0.414,1320 156,1321 439.388,1322 201.187,1323 483.869,1324 639.53,1325 452,1326 181,1327 420.094,1328 217.672,1329 441.954,1330 647.02,1331 417,1332 5}
{0 CHEMBL199733,1 1.642,2 13.871,3 3.973,4 15.785,5 127.72,6 7.855,7 0.353,8 4.171,9 4.305,10 3.787,11 3.684,12 5.17,13 3.653,14 4.765,15 4.972,16 4.172,17 4.109,18 5.719,19 4.046,20 5.054,21 5.281,22 4.264,23 4.297,24 5.968,25 4.19,26 5.147,27 5.403,28 4.24,29 4.244,30 6.126,31 4.115,32 5.02,33 5.281,34 3.993,35 4.141,36 5.93,37 4.017,38 4.987,39 5.252,40 3.985,41 4.109,42 5.866,43 3.982,44 4.925,45 5.2,46 3.906,47 4.06,48 5.783,49 3.91,50 4.849,51 5.141,52 3.892,53 3.927,54 5.688,55 3.786,56 0.025,57 0.902,58 12.014,59 5.023,60 6.395,61 7.111,62 0.385,63 1.447,64 26.127,65 8.518,66 26.587,67 12.36,68 0.367,69 1.728,70 39.712,71 12.423,72 35.646,73 17.695,74 0.816,75 1.712,76 51.864,77 13.145,78 81.579,79 18.612,80 0.552,81 1.581,82 38.797,83 11.682,84 58.677,85 16.883,86 0.544,87 1.528,88 38.828,89 10.815,90 53.606,91 16.068,92 0.484,93 1.429,94 36.31,95 11.002,96 47.392,97 16.232,98 0.411,99 1.258,100 35.732,101 10.027,102 40.155,103 15.145,104 17,105 47,106 0.269,107 0.566,108 0.753,109 0.844,110 0.867,111 0.867,112 3.471,113 1.013,114 -5.13,115 -5.03,116 -4.71,119 37.3,121 2,122 1,124 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 4,166 6,169 1,171 2,172 8,175 1,176 3,181 1,183 3,186 2,187 4,190 2,192 3,194 4,197 3,198 2,205 1,209 6,214 1,217 3,220 3,221 6,224 1,231 9,238 1,241 2,242 4,245 1,247 1,249 1,252 1719,253 20.878,254 20.878,255 20.878,256 20.878,257 20.878,258 19.244,259 31.736,260 12.273,261 21.616,262 16.76,263 16.76,264 16.76,265 16.76,266 16.76,267 14.252,268 46.242,269 5.834,270 18.039,271 4.241,272 2.428,273 1.284,274 0.725,275 0.589,276 0.589,277 4.167,279 2,282 1,283 1,284 928,285 3.082,288 446.631,295 2.4,296 28.52,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 66.667,308 430,309 4.238,310 3.824,311 6.406,312 3.978,313 3.012,314 3.881,315 1.94,316 9.742,317 2.924,318 4.182,319 3.269,320 6.164,321 3.812,322 2.881,323 3.725,324 0.8,325 9.154,326 2.661,327 4.099,328 3.127,329 6.059,330 3.762,331 2.836,332 3.278,333 0.8,334 8.708,335 2.604,336 3.618,337 2.773,338 5.385,339 3.393,340 2.461,341 2.84,342 0.657,343 6.974,344 2.291,345 3.459,346 2.757,347 5.291,348 3.245,349 2.319,350 2.749,351 0.555,352 6.71,353 2.142,354 3.413,355 2.584,356 4.955,357 2.99,358 2.107,359 2.445,361 5.802,362 1.8,363 2.999,364 2.293,365 4.826,366 2.832,367 1.893,368 2.055,370 5.323,371 1.75,372 2.85,373 2.025,374 4.327,375 2.439,376 1.533,377 1.973,379 4.057,380 1.377,381 2.743,382 1.852,383 4.164,384 2.347,385 1.426,386 1.811,388 3.731,389 1.243,390 2.511,391 1.586,392 3.654,393 2.204,394 1.225,395 1.501,397 2.702,398 1.193,399 2.253,400 1.235,401 3.489,402 2.063,403 1.109,404 1.218,406 2.552,407 1.054,408 2.044,409 1.159,410 3.434,411 1.967,412 1,413 1,415 2.275,416 0.965,417 2,418 1.146,419 3.414,420 1.74,421 0.75,422 0.887,424 1.86,425 0.725,426 1.963,427 0.994,428 3.238,429 1.664,430 0.715,431 0.86,433 1.724,434 0.663,435 1.261,436 0.436,437 2.597,438 0.863,444 15.162,445 0.489,446 0.767,447 0.025,448 36,449 1.161,450 14.5,451 0.468,452 21.5,453 0.694,454 30.64,455 0.988,456 34.638,457 0.587,458 26.064,459 0.841,460 6.836,461 0.221,462 8.155,463 0.263,464 0.149,466 0.31,472 0.727,473 1.689,474 0.615,475 1.111,476 0.528,477 1.016,478 0.868,479 1.008,480 0.707,481 0.801,482 0.539,483 0.868,484 1.007,485 1.216,486 0.905,487 1.066,488 0.923,489 1.062,490 1.231,491 0.923,492 0.909,493 0.92,494 1.632,495 0.974,496 1.047,497 0.98,498 0.763,499 0.893,500 1.357,501 0.95,502 1.041,503 1.011,504 0.808,505 0.9,506 1.039,507 0.952,508 0.676,509 0.946,510 0.765,511 0.904,512 0.467,513 0.957,514 0.58,515 1.007,516 0.617,517 0.864,518 0.479,519 0.822,520 6.5,521 0.152,522 3.778,523 1.938,524 1.48,525 0.903,526 0.504,527 0.476,528 0.332,529 0.206,530 14694,531 40099,532 2.084,533 47.5,534 2,535 21,537 1,538 1,539 1,540 2,542 1.731,543 1.958,544 3.744,545 -0.297,547 1,550 96.853,551 1.642,552 3.455,553 4.598,554 5.158,555 5.294,556 5.294,557 3.216,558 4.761,559 4.925,560 3.938,561 1831.03,562 8.573,563 27434.1,568 347.076,569 1.383,570 4.888,571 0.191,572 0.006,573 0.08,574 0.04,575 0.036,576 0.024,577 0.014,578 0.014,579 0.011,580 0.007,581 0.423,582 0.17,583 0.88,584 0.541,585 164.598,586 -0.028,587 -0.382,588 0.031,589 -0.12,590 0.012,591 -0.04,592 0.02,593 0.187,594 0.03,595 0.116,596 0.079,597 0.061,598 -0.086,599 -0.158,600 -0.043,601 -0.1,602 -0.034,603 -0.091,604 -0.026,605 0.038,606 0.015,607 0.012,608 -0.114,609 -0.031,610 -0.047,611 0.001,612 -0.012,613 0.022,614 -0.1,616 -0.085,617 -0.02,618 -0.012,619 0.014,620 -0.046,621 -0.003,622 0.101,623 0.03,624 0.039,625 0.029,626 0.151,627 0.016,628 0.19,629 -0.096,630 0.223,631 0.076,632 0.182,633 0.166,634 1.373,635 5.885,636 0.774,637 37.27,638 1.003,639 1.137,640 3.901,641 15.22,642 0.667,643 3.555,644 3.871,645 4.111,646 4.317,647 4.533,648 4.533,649 4.615,650 4.718,651 4.836,652 4.942,653 8.109,654 0.624,655 463.46,656 3.555,657 5.094,658 5.932,659 6.795,660 7.644,661 8.508,662 9.362,663 10.225,664 11.081,665 11.945,666 10.2,669 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 59,705 13,706 1,707 34,709 62,710 22,711 10,712 3,713 3,717 4,718 4,719 2,724 2,725 1,727 2,729 11,730 11,731 1,733 1,737 1,741 1,744 1,747 28,748 7,749 1,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,792 1,796 4,801 1,802 2,805 31,810 9,811 1,814 1,815 3,824 2,825 1.7,828 1,832 15.833,833 10.702,834 6.778,835 3.66,836 2.253,837 1.289,838 0.973,839 7.54,840 10.054,841 3.738,842 4.248,843 4.705,844 5.127,845 5.571,846 5.584,847 5.743,848 6.028,849 6.39,850 6.729,851 1,852 48,853 11.506,854 4.864,855 7.647,856 22.378,857 18.595,859 2.147,860 66.556,863 1,864 317.82,865 94.276,866 60.955,867 78.297,868 25.145,871 94.276,872 421.262,873 60.955,874 8.396,875 22.933,876 37.905,877 93.202,878 25.483,879 4.227,880 306.049,881 78.297,882 317.82,883 155.231,884 25.145,885 78.297,887 294.278,888 48.687,891 37.004,892 66.645,893 129.879,895 317.82,896 86.1,897 172.574,900 317.82,901 38.927,902 64.722,903 18.011,904 137.013,905 317.82,906 86.1,907 172.574,909 0.584,910 0.337,911 0.174,912 0.094,913 22,914 10,915 0.081,916 5,918 1,919 4.336,920 269.562,922 24,923 149.58,928 22.591,929 10.346,930 5.805,932 86.1,933 9.052,934 9.091,938 3.605,940 18.011,941 576.493,942 41,946 12.885,950 0.294,952 59.189,953 67.07,954 0.279,955 0.587,956 0.782,957 0.877,958 0.9,959 0.9,960 4.99,961 1.533,962 5.911,963 5.323,964 4.554,965 4.934,966 2.349,967 6.683,968 4.413,969 6.152,970 1.426,971 7.451,972 4.057,973 4.111,974 4.649,975 1.803,976 7.493,977 3.842,978 7.431,979 1.225,980 9.086,981 3.731,982 6.12,983 6.963,984 3.032,985 10.551,986 5.857,987 8.736,988 1.109,989 10.776,990 2.702,991 6.463,992 7.453,993 3.157,994 12.158,995 6.096,996 10.073,997 1,998 12.501,999 2.552,1000 7.944,1001 9.282,1002 4.143,1003 14.722,1004 7.57,1005 11.429,1006 0.75,1007 14.25,1008 2.275,1009 8.655,1010 10.137,1011 4.543,1012 16.669,1013 8.202,1014 12.801,1015 0.715,1016 16.017,1017 1.86,1018 9.909,1019 11.752,1020 5.384,1021 19.047,1022 9.435,1023 3.012,1025 17.797,1026 1.724,1027 10.803,1028 12.801,1029 5.912,1030 21.151,1031 10.267,1032 2.881,1033 9.742,1034 19.586,1036 11.955,1037 14.306,1038 6.67,1039 23.452,1040 11.39,1041 2.836,1042 9.154,1043 21.384,1044 3.881,1045 12.94,1046 15.466,1047 7.263,1048 25.63,1049 12.325,1050 2.461,1051 8.708,1052 23.189,1053 3.725,1054 14.048,1055 16.907,1056 7.976,1057 27.9,1058 13.4,1059 2.319,1060 6.974,1061 24.999,1062 3.278,1063 15.078,1064 18.135,1065 8.602,1066 30.114,1067 14.388,1068 2.107,1069 6.71,1070 26.813,1071 2.84,1072 16.167,1073 19.537,1074 9.292,1075 32.372,1076 15.444,1077 1.893,1078 5.802,1079 28.631,1080 2.749,1081 17.221,1082 20.808,1083 9.936,1084 34.605,1085 16.461,1086 13912,1087 23255,1088 22.77,1089 39.341,1090 51.09,1091 52.167,1092 52.198,1093 50.932,1094 50.532,1095 60.446,1096 9.506,1097 142.625,1098 46.785,1099 5.238,1100 5.824,1101 5.958,1102 5.051,1103 5.012,1104 6.881,1105 3.348,1106 16.552,1107 4.924,1108 15.266,1109 1.503,1110 1.534,1111 1.535,1112 1.498,1113 1.486,1114 1.778,1115 0.28,1116 4.195,1117 1.376,1118 3.985,1119 4.039,1120 4.097,1121 3.892,1122 7.427,1123 3.885,1124 3.907,1125 3.943,1126 3.883,1127 3.769,1128 5.033,1129 3.779,1130 3.841,1131 3.895,1132 3.773,1133 3.672,1134 4.976,1135 3.69,1136 3.689,1137 3.757,1138 3.605,1139 3.505,1140 4.629,1141 3.514,1142 3.34,1143 3.407,1144 3.572,1145 3.121,1146 4.358,1147 3.133,1148 3.254,1149 3.336,1150 3.254,1151 3.082,1152 4.277,1153 3.077,1154 3.2,1155 3.283,1156 3.183,1157 2.994,1158 4.199,1159 2.978,1160 3.111,1161 3.206,1162 2.987,1163 2.941,1164 4.016,1165 2.91,1166 0.125,1167 0.112,1168 0.188,1169 0.117,1170 0.089,1171 4.238,1172 0.114,1173 3.824,1174 0.057,1175 6.406,1176 0.287,1177 3.978,1178 0.086,1179 3.012,1180 3.881,1181 1.94,1182 9.742,1183 2.924,1184 1.906,1185 1.885,1186 2.06,1187 2.078,1188 1.418,1189 2.07,1190 1.87,1191 1.815,1192 1.983,1193 2.015,1194 1.265,1195 2.014,1196 1.788,1197 1.729,1198 1.95,1199 1.956,1200 1.154,1201 1.967,1202 1.644,1203 1.581,1204 1.788,1205 1.843,1206 0.835,1207 1.836,1208 1.283,1209 1.213,1210 1.607,1211 1.545,1212 0.825,1213 1.564,1214 1.224,1215 1.15,1216 1.513,1217 1.468,1218 0.806,1219 1.483,1220 1.202,1221 1.12,1222 1.511,1223 1.425,1224 0.75,1225 1.446,1226 1.153,1227 1.064,1228 1.45,1229 1.376,1230 0.604,1231 1.429,1232 4.234,1233 5.549,1235 7.057,1237 8.646,1239 10.274,1241 2.094,1242 12.215,1247 7.49,1248 3.3,1251 0.133,1252 6.397,1257 36.82,1258 96.853,1259 203.849,1260 271.302,1261 304.321,1262 312.321,1263 312.321,1264 56.461,1265 7.801,1266 64.6,1267 64.6,1268 24,1269 12.494,1270 3.807,1271 3,1272 49.75,1273 151,1274 145,1275 0.158,1276 233.164,1277 404.65,1278 560.681,1279 29873,1280 3.4,1281 21.794,1282 0.703,1283 0.621,1284 22.794,1285 19.24,1286 14.991,1287 0.441,1288 0.338,1289 10.627,1290 13.824,1291 10.324,1292 8.48,1293 15.569,1294 11.481,1295 13.591,1296 0.289,1297 0.193,1298 14.371,1299 9.089,1300 11.325,1301 0.189,1302 0.109,1303 11.941,1304 6.553,1305 9.115,1306 0.123,1307 0.063,1308 9.811,1309 4.678,1310 7.234,1311 0.079,1312 0.035,1313 7.592,1314 3.188,1315 0.255,1316 100.039,1317 0.21,1318 29.765,1319 0.41,1320 162,1321 450.701,1322 207.548,1323 495.135,1324 653.79,1325 462,1326 188,1327 429.728,1328 225.672,1329 454.108,1330 663.26,1331 426,1332 6.155}
{0 CHEMBL199780,1 1.74,2 14.484,3 3.935,4 15.483,5 120.982,6 8.815,7 0.529,8 4.064,9 4.171,10 3.777,11 3.62,12 5.189,13 3.61,14 4.603,15 4.769,16 4.148,17 3.999,18 5.714,19 3.966,20 4.84,21 5.029,22 4.213,23 4.14,24 5.893,25 4.07,26 4.895,27 5.105,28 4.198,29 4.06,30 6.011,31 3.975,32 4.805,33 5.04,34 3.947,35 3.958,36 5.861,37 3.88,38 4.709,39 4.915,40 3.987,41 3.947,42 5.753,43 3.874,44 4.702,45 4.922,46 3.907,47 3.927,48 5.744,49 3.83,50 4.661,51 4.919,52 3.879,53 3.828,54 5.641,55 3.727,56 0.073,57 0.772,58 7.872,59 4.336,60 7.64,61 5.303,62 0.432,63 1.237,64 18.138,65 7.17,66 25.943,67 8.88,68 0.473,69 1.434,70 28.937,71 9.991,72 42.342,73 12.319,74 0.806,75 1.418,76 38.991,77 10.6,78 77.766,79 12.948,80 0.69,81 1.339,82 29.676,83 9.701,84 69.622,85 12.412,86 0.528,87 1.241,88 26.742,89 8.829,90 44.398,91 11.135,92 0.529,93 1.244,94 25.134,95 8.778,96 51.403,97 11.492,98 0.502,99 1.166,100 28.145,101 8.373,102 42.365,103 11.559,104 10,105 46,106 0.289,107 0.587,108 0.748,109 0.832,110 0.87,111 0.87,112 3.471,113 0.94,114 -4.9,115 -4.81,116 -4.51,119 42.3,121 1,125 5,138 6,139 2,140 2,141 3,143 1,146 1,151 1,163 5,165 5,166 8,172 9,175 1,176 5,183 4,186 2,187 7,194 4,197 5,198 4,205 1,209 7,217 3,220 3,221 6,230 1,231 10,238 1,241 1,242 5,249 1,252 1770,253 21.085,254 21.085,255 21.085,256 21.085,257 21.085,258 18.676,259 26.034,260 12.606,261 21.841,262 16.792,263 16.792,264 16.792,265 16.792,266 16.792,267 13.241,268 35.096,269 6.025,270 18.106,271 3.961,272 2.165,273 1.197,274 0.692,275 0.462,276 0.462,277 4.17,279 2,282 1,283 1,284 971,285 3.162,288 453.903,295 2.468,296 31.469,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 67.167,308 449,309 4.237,310 3.747,311 6.193,312 3.873,313 2.945,314 3.881,315 2.015,316 9.239,317 2.77,318 4.172,319 3.291,320 6.06,321 3.79,322 2.857,323 3.725,324 1.151,325 8.712,326 2.634,327 4.04,328 3.138,329 6.023,330 3.716,331 2.768,332 3.49,333 0.8,334 8.623,335 2.588,336 3.772,337 2.839,338 5.336,339 3.409,340 2.45,341 3.042,342 0.625,343 6.94,344 2.347,345 3.579,346 2.695,347 5.293,348 3.236,349 2.317,350 2.826,351 0.111,352 6.767,353 2.117,354 3.446,355 2.635,356 4.955,357 2.985,358 2.104,359 2.742,361 5.801,362 1.774,363 2.973,364 2.269,365 4.404,366 2.615,367 1.667,368 2.101,370 4.323,371 1.571,372 2.865,373 2.056,374 4.17,375 2.409,376 1.496,377 1.995,379 3.762,380 1.36,381 2.822,382 1.632,383 4.016,384 2.351,385 1.423,386 1.929,388 3.402,389 1.244,390 2.651,391 1.56,392 3.534,393 2.18,394 1.217,395 1.679,397 2.781,398 1.16,399 2.5,400 1.189,401 3.483,402 1.967,403 1,404 1.5,406 2.491,407 0.965,408 2.309,409 1.146,410 3.414,411 1.959,412 1,413 1.231,415 2.275,416 0.955,417 2,418 1.079,419 3.247,420 1.952,421 1,422 1,424 2.136,425 0.946,426 1.963,427 1,428 3.238,429 1.629,430 0.744,431 0.88,433 1.73,434 0.634,435 1.261,436 0.598,437 2.705,438 0.843,444 15.095,445 0.487,446 0.677,447 0.022,448 41.75,449 1.347,450 20.5,451 0.661,452 21.25,453 0.685,454 25.369,455 0.818,456 32.905,457 0.633,458 30.286,459 0.977,460 8.351,461 0.269,462 6.729,463 0.217,464 0.117,466 0.285,472 0.718,473 1.519,474 0.548,475 1.028,476 0.548,477 0.915,478 0.903,479 0.985,480 0.696,481 0.796,482 0.633,483 0.851,484 1.14,485 1.13,486 0.977,487 1.04,488 1.07,489 1.044,490 1.221,491 1.039,492 0.997,493 1.045,494 1.412,495 1.069,496 1.08,497 0.787,498 0.702,499 0.76,500 1.427,501 0.852,502 1.003,503 1.109,504 0.834,505 1.025,506 0.823,507 1.019,508 0.866,509 1.107,510 0.788,511 0.948,512 0.764,513 1.034,514 0.66,515 0.904,516 0.719,517 0.859,518 0.599,519 0.872,520 6,521 0.128,522 3.333,523 1.5,524 1.409,525 0.924,526 0.384,527 0.398,528 0.381,529 0.172,530 15126,531 48554,532 2.104,533 40.4,535 16,537 3,539 2,542 1.731,543 2,544 3.799,545 -0.703,547 1,550 90.467,551 1.74,552 3.536,553 4.503,554 5.008,555 5.239,556 5.239,557 3.256,558 4.632,559 4.923,560 3.981,561 1851.3,562 8.57,563 28040.5,568 296.423,569 1.277,570 4.899,571 0.176,572 0.005,573 0.072,574 0.033,575 0.036,576 0.025,577 0.01,578 0.012,579 0.012,580 0.006,581 0.388,582 0.17,583 1,584 0.486,585 165.255,586 -0.036,587 -0.347,588 0.026,589 -0.132,590 -0.004,591 -0.049,592 0.013,593 0.153,594 0.009,595 0.087,596 0.039,597 0.023,598 -0.159,599 -0.101,600 -0.09,601 -0.093,602 -0.11,603 -0.105,604 -0.036,605 -0.067,606 -0.022,607 -0.089,608 -0.098,609 -0.115,610 -0.017,611 0.187,612 0.046,613 0.163,614 -0.09,615 0.115,616 -0.033,617 -0.115,618 -0.02,619 -0.082,620 -0.01,621 -0.058,622 0.019,623 -0.105,624 -0.015,625 -0.016,626 0.038,627 -0.066,628 0.111,629 0.083,630 0.157,631 0.087,632 0.112,633 0.138,634 1.564,635 5.543,636 0.774,637 39.074,638 1.015,639 1.126,640 3.674,641 13.5,642 0.702,643 3.555,644 3.85,645 4.078,646 4.277,647 4.489,648 4.477,649 4.554,650 4.663,651 4.787,652 4.868,653 8.306,654 0.672,655 458.38,656 3.555,657 5.081,658 5.911,659 6.763,660 7.603,661 8.457,662 9.302,663 10.157,664 11.004,665 11.86,666 9.6,672 1,673 1,676 3,681 9,682 3,686 6,688 18,699 1,701 1,702 2,703 52,705 19,706 1,707 34,709 55,710 22,711 15,712 3,713 3,717 4,718 4,719 2,727 1,729 16,730 6,733 1,737 1,741 1,744 1,747 21,748 7,750 9,751 2,755 5,760 1,761 2,770 1,771 1,776 4,784 1,796 4,802 2,805 31,810 6,812 1,815 2,824 2,825 3.8,828 1,830 1,832 15.5,833 9.369,834 6.833,835 3.053,836 3.072,837 1.396,838 0.981,839 7.228,840 10.829,841 3.807,842 4.35,843 4.83,844 5.299,845 5.767,846 5.716,847 5.884,848 6.18,849 6.484,850 6.806,851 0.9,852 46,853 11.437,854 4.809,855 7.771,856 21.73,857 17.543,859 2.271,860 70.389,863 1,864 247.193,865 124.34,866 56.605,867 78.297,868 36.145,871 124.34,872 361.635,873 56.605,875 18.674,876 56.857,877 115.519,878 54.639,879 6.714,880 211.88,881 78.297,882 247.193,883 180.945,884 36.145,885 78.297,887 247.193,888 36.145,891 47.715,892 82.873,893 128.654,895 247.193,896 92.75,897 202.637,900 247.193,901 40.34,902 90.248,904 164.799,905 247.193,906 92.75,907 202.637,909 0.577,910 0.33,911 0.171,912 0.092,913 21,914 9,915 0.109,916 6,918 1,919 4.412,920 265.398,922 24,923 149.58,928 21.815,929 10.271,930 5.85,932 92.75,933 15.844,934 12.938,938 3.922,941 542.581,942 44,946 12.543,950 0.102,952 52.763,953 58.535,954 0.305,955 0.62,956 0.79,957 0.879,958 0.919,959 0.919,960 5.027,961 1.496,962 5.872,963 4.323,964 4.533,965 5.037,966 2.503,967 6.619,968 4.386,969 6.2,970 1.423,971 7.392,972 3.762,973 4.007,974 4.663,975 1.738,976 7.368,977 3.731,978 7.476,979 1.217,980 9.007,981 3.402,982 6.071,983 7.114,984 3.309,985 10.417,986 5.794,987 8.781,988 1,989 10.679,990 2.781,991 6.347,992 7.505,993 3.266,994 11.972,995 5.949,996 10.114,997 1,998 12.385,999 2.491,1000 7.861,1001 9.445,1002 4.445,1003 14.506,1004 7.454,1005 11.466,1006 1,1007 14.116,1008 2.275,1009 8.52,1010 10.211,1011 4.765,1012 16.4,1013 8.004,1014 12.833,1015 0.744,1016 15.863,1017 2.136,1018 9.788,1019 11.908,1020 5.725,1021 18.736,1022 9.248,1023 2.945,1025 17.623,1026 1.73,1027 10.64,1028 12.886,1029 6.226,1030 20.787,1031 10.004,1032 2.857,1033 9.239,1034 19.392,1036 11.792,1037 14.445,1038 7.068,1039 23.041,1040 11.118,1041 2.768,1042 8.712,1043 21.168,1044 3.881,1045 12.743,1046 15.552,1047 7.661,1048 25.165,1049 11.982,1050 2.45,1051 8.623,1052 22.949,1053 3.725,1054 13.842,1055 17.028,1056 8.439,1057 27.385,1058 13.033,1059 2.317,1060 6.94,1061 24.735,1062 3.49,1063 14.844,1064 18.218,1065 9.08,1066 29.546,1067 13.956,1068 2.104,1069 6.767,1070 26.525,1071 3.042,1072 15.919,1073 19.641,1074 9.824,1075 31.752,1076 14.975,1077 1.667,1078 5.801,1079 28.318,1080 2.826,1081 16.948,1082 20.885,1083 10.492,1084 33.931,1085 15.93,1086 14262,1087 25749,1088 23.057,1089 36.506,1090 50.42,1091 51.819,1092 50.97,1093 50.283,1094 49.978,1095 64.044,1096 9.403,1097 137.962,1098 46.129,1099 5.237,1100 5.747,1101 5.995,1102 4.962,1103 4.945,1104 6.881,1105 3.529,1106 15.569,1107 4.77,1108 13.181,1109 1.483,1110 1.524,1111 1.499,1112 1.479,1113 1.47,1114 1.884,1115 0.277,1116 4.058,1117 1.357,1118 3.974,1119 4.02,1120 4.095,1121 3.887,1122 7.427,1123 3.88,1124 3.905,1125 3.93,1126 3.885,1127 3.804,1128 5.066,1129 3.809,1130 3.852,1131 3.899,1132 3.809,1133 3.686,1134 4.988,1135 3.711,1136 3.703,1137 3.757,1138 3.632,1139 3.518,1140 4.891,1141 3.536,1142 3.362,1143 3.405,1144 3.589,1145 3.163,1146 4.633,1147 3.179,1148 3.212,1149 3.251,1150 3.279,1151 3.057,1152 4.435,1153 3.05,1154 3.111,1155 3.206,1156 3.188,1157 2.941,1158 4.248,1159 2.91,1160 2.929,1161 3.011,1162 2.871,1163 2.796,1164 4.05,1165 2.769,1166 0.125,1167 0.11,1168 0.182,1169 0.114,1170 0.087,1171 4.237,1172 0.114,1173 3.747,1174 0.059,1175 6.193,1176 0.272,1177 3.873,1178 0.081,1179 2.945,1180 3.881,1181 2.015,1182 9.239,1183 2.77,1184 1.896,1185 1.881,1186 2.008,1187 2.06,1188 1.284,1189 2.044,1190 1.874,1191 1.835,1192 1.963,1193 1.985,1194 1.133,1195 1.984,1196 1.794,1197 1.739,1198 1.94,1199 1.949,1200 1.084,1201 1.956,1202 1.64,1203 1.589,1204 1.769,1205 1.839,1206 0.825,1207 1.824,1208 1.297,1209 1.251,1210 1.513,1211 1.526,1212 0.763,1213 1.517,1214 1.158,1215 1.117,1216 1.512,1217 1.381,1218 0.631,1219 1.429,1220 1.153,1221 1.064,1222 1.392,1223 1.376,1224 0.572,1225 1.389,1226 0.885,1227 0.824,1228 1.146,1229 1.14,1230 0.35,1231 1.152,1232 4.234,1233 5.533,1235 7.026,1237 8.598,1239 10.208,1242 12.13,1247 3.197,1249 5.794,1252 3.919,1257 34.933,1258 90.467,1259 183.854,1260 234.158,1261 260.423,1262 272.423,1263 272.423,1264 53.372,1265 7.757,1266 71.45,1267 71.45,1268 24,1269 12.415,1270 4.322,1271 3.459,1272 49.76,1273 154,1274 146,1275 0.153,1276 221.584,1277 383.62,1278 532.425,1279 28947,1280 3.8,1281 21.631,1282 0.698,1283 0.589,1284 22.631,1285 18.259,1286 15.081,1287 0.444,1288 0.313,1289 9.804,1290 13.884,1291 9.558,1292 7.836,1293 15.658,1294 10.653,1295 13.418,1296 0.292,1297 0.173,1298 14.197,1299 7.969,1300 11.096,1301 0.191,1302 0.096,1303 11.712,1304 5.588,1305 8.956,1306 0.126,1307 0.053,1308 9.652,1309 3.764,1310 7.078,1311 0.08,1312 0.028,1313 7.437,1314 2.475,1315 0.25,1316 100.832,1317 0.208,1318 29.927,1319 0.397,1320 160,1321 510.103,1322 207.065,1323 548.146,1324 722.86,1325 512,1326 184,1327 476.845,1328 222.163,1329 499.691,1330 726.8,1331 469,1332 5}
{0 CHEMBL199818,1 1.767,2 13.733,3 3.9,4 15.211,5 116.433,6 9.068,7 0.545,8 4.013,9 4.117,10 3.749,11 3.572,12 5.159,13 3.567,14 4.544,15 4.705,16 4.126,17 3.949,18 5.687,19 3.925,20 4.775,21 4.959,22 4.21,23 4.086,24 5.865,25 4.029,26 4.83,27 5.029,28 4.194,29 4.001,30 6.021,31 3.934,32 4.703,33 4.915,34 3.912,35 3.921,36 5.758,37 3.85,38 4.691,39 4.902,40 3.928,41 3.91,42 5.72,43 3.828,44 4.633,45 4.87,46 3.828,47 3.826,48 5.666,49 3.727,50 4.474,51 4.713,52 3.834,53 3.694,54 5.515,55 3.614,56 0.087,57 0.733,58 6.792,59 3.993,60 7.868,61 4.733,62 0.443,63 1.174,64 16.076,65 6.552,66 24.23,67 7.806,68 0.45,69 1.354,70 26.262,71 9.32,72 36.605,73 11.285,74 0.913,75 1.332,76 36.202,77 9.647,78 87.794,79 11.098,80 0.576,81 1.249,82 24.228,83 8.643,84 56.003,85 10.615,86 0.568,87 1.225,88 25.824,89 8.576,90 47.481,91 10.624,92 0.572,93 1.148,94 24.852,95 8.292,96 49.003,97 10.857,98 0.392,99 0.967,100 23.036,101 7.234,102 33.166,103 9.79,104 10,105 45,106 0.297,107 0.598,108 0.743,109 0.833,110 0.868,111 0.868,112 3.44,113 0.927,114 -4.69,115 -4.61,116 -4.33,119 42.9,125 5,138 6,139 2,140 2,141 3,143 1,146 1,151 1,163 4,165 5,166 8,172 8,175 1,176 4,183 3,186 4,187 7,194 4,197 3,198 2,205 1,209 7,217 3,220 4,221 6,231 9,238 1,241 3,242 5,249 1,252 1584,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 18.084,259 23.128,260 12.151,261 21.19,262 16.276,263 16.276,264 16.276,265 16.276,266 16.276,267 12.793,268 31.035,269 5.778,270 17.59,271 3.848,272 2.056,273 1.189,274 0.653,275 0.449,276 0.449,277 4.138,279 2,282 1,283 1,284 893,285 3,288 430.239,295 2.351,296 31.288,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 65.167,308 412,309 4.249,310 3.695,311 6.396,312 3.963,313 3,314 3.881,315 1.2,316 9.692,317 2.91,318 4.233,319 3.291,320 6.163,321 3.804,322 2.875,323 3.731,324 1.151,325 9.147,326 2.639,327 4.153,328 3.136,329 6.059,330 3.757,331 2.83,332 3.709,333 0.8,334 8.708,335 2.598,336 3.642,337 2.838,338 5.332,339 3.322,340 2.402,341 2.873,342 0.293,343 6.89,344 2.209,345 3.483,346 2.69,347 5.216,348 3.107,349 2.18,350 2.776,352 6.317,353 2.012,354 3.432,355 2.36,356 4.955,357 2.98,358 2.095,359 2.71,361 5.8,362 1.771,363 2.972,364 2.132,365 4.346,366 2.564,367 1.623,368 2.09,370 4.134,371 1.522,372 2.85,373 2.048,374 4.165,375 2.386,376 1.482,377 1.98,379 3.743,380 1.293,381 2.751,382 1.631,383 3.864,384 2.303,385 1.378,386 1.844,388 3.23,389 1.233,390 2.537,391 1.323,392 3.493,393 2.065,394 1.116,395 1.529,397 2.566,398 1.055,399 2.5,400 1.189,401 3.414,402 1.967,403 1,404 1.5,406 2.275,407 0.965,408 2.199,409 1.146,410 3.324,411 1.956,412 1,413 1,415 2.136,416 0.954,417 2,418 1.079,419 3.247,420 1.732,421 0.749,422 0.982,424 1.782,425 0.716,426 1.963,427 1,428 3.236,429 1.628,430 0.708,431 0.878,433 1.715,434 0.633,435 1.261,436 0.531,437 2.581,438 0.842,444 14.595,445 0.487,446 0.661,447 0.022,448 41.25,449 1.375,450 20.5,451 0.683,452 20.75,453 0.692,454 23.592,455 0.786,456 31.605,457 0.645,458 29.964,459 0.999,460 8.26,461 0.275,462 6.338,463 0.211,464 0.121,466 0.295,472 0.724,473 1.519,474 0.533,475 1.012,476 0.553,477 0.894,478 0.921,479 0.96,480 0.687,481 0.761,482 0.631,483 0.819,484 1.064,485 1.173,486 0.941,487 1.059,488 0.894,489 1.026,490 1.328,491 0.927,492 1.028,493 0.975,494 1.665,495 1.03,496 1.084,497 0.937,498 0.749,499 0.877,500 1.355,501 0.969,502 0.979,503 1.119,504 0.869,505 1.058,506 0.77,507 1.09,508 0.798,509 0.935,510 0.747,511 0.836,512 0.6,513 0.937,514 0.576,515 1.087,516 0.671,517 0.94,518 0.523,519 0.867,520 5.5,521 0.136,522 3.556,523 1.75,524 1.289,525 0.792,526 0.422,527 0.46,528 0.312,529 0.166,530 13553,531 44879,532 2.107,533 38.8,535 16,537 3,542 1.723,543 2,544 3.726,545 -0.693,547 1,550 86.562,551 1.767,552 3.558,553 4.426,554 4.962,555 5.166,556 5.166,557 3.203,558 4.548,559 4.877,560 3.903,561 1698.01,562 8.478,563 24773.3,565 1,567 1,568 275.121,569 1.295,570 4.851,571 0.167,572 0.005,573 0.079,574 0.038,575 0.033,576 0.022,577 0.012,578 0.015,579 0.01,580 0.006,581 0.388,582 0.17,583 1,584 0.496,585 157.54,586 -0.044,587 -0.36,588 0.025,589 -0.138,590 -0.014,591 -0.053,592 -0.004,593 0.177,594 0.006,595 0.109,596 0.039,597 0.038,598 -0.121,599 -0.151,600 -0.053,601 -0.113,602 -0.023,603 -0.084,604 -0.046,605 0.052,606 -0.044,607 -0.024,608 -0.145,609 -0.094,610 -0.096,611 0.058,612 -0.033,613 0.044,614 -0.186,615 -0.011,616 -0.055,617 -0.128,618 -0.058,619 -0.118,620 -0.058,621 -0.119,622 0.072,623 0.043,624 0.062,625 0.109,626 0.111,627 0.065,628 0.182,629 -0.128,630 0.236,631 0.036,632 0.209,633 0.17,634 1.68,635 5.563,636 0.8,637 35.52,638 1.018,639 1.125,640 3.463,641 11.993,642 0.709,643 3.526,644 3.829,645 4.078,646 4.277,647 4.489,648 4.477,649 4.575,650 4.682,651 4.787,652 4.883,653 7.912,654 0.682,655 444.35,656 3.526,657 5.056,658 5.894,659 6.751,660 7.6,661 8.459,662 9.312,663 10.173,664 11.028,665 11.888,666 10.2,672 1,673 1,676 3,681 9,682 3,686 6,688 18,693 1,699 1,701 1,702 2,703 49,705 19,706 1,707 33,709 52,710 21,711 15,712 3,713 3,714 1,717 4,718 4,719 2,729 16,730 5,733 1,737 1,741 1,744 1,747 19,748 7,750 9,751 2,755 5,760 1,761 2,770 1,771 1,776 4,796 4,802 2,805 30,810 5,812 1,815 2,824 2,825 4.1,828 1,830 1,832 15,833 8.869,834 6.611,835 2.866,836 3.102,837 1.403,838 0.986,839 6.676,840 10.809,841 3.784,842 4.337,843 4.854,844 5.319,845 5.789,846 5.753,847 5.944,848 6.176,849 6.522,850 6.871,851 1,852 46,853 11.057,854 4.669,855 7.796,856 20.914,857 16.878,859 2.296,860 68.889,863 1,864 223.651,865 121.806,866 56.605,867 78.297,868 36.145,871 121.806,872 338.093,873 56.605,875 16.14,876 56.857,877 115.519,878 54.639,879 6.714,880 188.338,881 78.297,882 223.651,883 178.411,884 36.145,885 78.297,887 223.651,888 36.145,891 45.181,892 82.873,893 128.654,895 223.651,896 92.75,897 200.103,900 223.651,901 37.806,902 90.248,904 164.799,905 223.651,906 92.75,907 200.103,909 0.579,910 0.337,911 0.175,912 0.093,913 21,914 9,915 0.096,916 5,918 1,919 4.288,920 257.098,922 24,923 143.207,928 20.853,929 9.604,930 5.214,932 92.75,933 15.421,934 12.865,938 3.575,941 516.504,942 43,946 12.563,950 -0.013,952 49.88,953 55.12,954 0.315,955 0.634,956 0.788,957 0.884,958 0.92,959 0.92,960 5.007,961 1.482,962 5.861,963 4.134,964 4.511,965 5.024,966 2.013,967 6.627,968 4.361,969 6.186,970 1.378,971 7.394,972 3.743,973 4.007,974 4.663,975 0.57,976 7.431,977 3.731,978 7.467,979 1.116,980 9.027,981 3.23,982 6.066,983 7.122,984 2.14,985 10.497,986 5.789,987 8.781,988 1,989 10.717,990 2.566,991 6.382,992 7.551,993 0.801,994 12.117,995 6.004,996 10.124,997 1,998 12.445,999 2.275,1000 7.888,1001 9.483,1002 2.362,1003 14.678,1004 7.497,1005 11.488,1006 0.749,1007 14.198,1008 2.136,1009 8.587,1010 10.293,1011 1.074,1012 16.635,1013 8.119,1014 12.868,1015 0.708,1016 15.969,1017 1.782,1018 9.854,1019 11.978,1020 2.614,1021 19.009,1022 9.36,1023 3,1025 17.753,1026 1.715,1027 10.742,1028 12.996,1029 1.404,1030 21.116,1031 10.188,1032 2.875,1033 9.692,1034 19.547,1036 11.901,1037 14.544,1038 2.884,1039 23.414,1040 11.313,1041 2.83,1042 9.147,1043 21.348,1044 3.881,1045 12.883,1046 15.685,1047 1.768,1048 25.591,1049 12.245,1050 2.402,1051 8.708,1052 23.155,1053 3.731,1054 13.992,1055 17.151,1056 3.165,1057 27.858,1058 13.32,1059 2.18,1060 6.89,1061 24.968,1062 3.709,1063 15.021,1064 18.367,1065 2.15,1066 30.069,1067 14.306,1068 2.095,1069 6.317,1070 26.784,1071 2.873,1072 16.11,1073 19.784,1074 3.454,1075 32.324,1076 15.36,1077 1.623,1078 5.8,1079 28.603,1080 2.776,1081 17.162,1082 21.045,1083 2.538,1084 34.553,1085 16.374,1086 12775,1087 23423,1088 22.364,1089 34.745,1090 49.445,1091 50.8,1092 50.057,1093 49.273,1094 48.873,1095 62.966,1096 6.887,1097 136.266,1098 45.022,1099 5.249,1100 5.695,1101 6.198,1102 5.052,1103 5,1104 6.881,1105 2.351,1106 16.454,1107 4.91,1108 12.861,1109 1.498,1110 1.539,1111 1.517,1112 1.493,1113 1.481,1114 1.908,1115 0.209,1116 4.129,1117 1.364,1118 3.977,1119 4.022,1120 4.095,1121 3.886,1122 7.428,1123 3.88,1124 3.907,1125 3.93,1126 3.897,1127 3.798,1128 5.066,1129 3.809,1130 3.838,1131 3.883,1132 3.806,1133 3.674,1134 4.988,1135 3.699,1136 3.674,1137 3.733,1138 3.604,1139 3.495,1140 4.877,1141 3.507,1142 3.245,1143 3.281,1144 3.572,1145 3.063,1146 4.633,1147 3.064,1148 3.178,1149 3.217,1150 3.218,1151 2.98,1152 4.435,1153 3.004,1154 3.111,1155 3.206,1156 3.133,1157 2.941,1158 4.244,1159 2.91,1160 2.879,1161 2.922,1162 2.866,1163 2.796,1164 4.05,1165 2.769,1166 0.129,1167 0.112,1168 0.194,1169 0.12,1170 0.091,1171 4.249,1172 0.118,1173 3.695,1174 0.036,1175 6.396,1176 0.294,1177 3.963,1178 0.088,1179 3,1180 3.881,1181 1.2,1182 9.692,1183 2.91,1184 1.896,1185 1.881,1186 1.998,1187 2.062,1188 1.278,1189 2.044,1190 1.867,1191 1.829,1192 1.96,1193 1.978,1194 1.133,1195 1.979,1196 1.777,1197 1.725,1198 1.909,1199 1.935,1200 0.954,1201 1.934,1202 1.624,1203 1.569,1204 1.764,1205 1.82,1206 0.825,1207 1.811,1208 1.164,1209 1.125,1210 1.513,1211 1.405,1212 0.761,1213 1.429,1214 1.153,1215 1.064,1216 1.393,1217 1.376,1218 0.573,1219 1.398,1220 1.094,1221 1.057,1222 1.261,1223 1.338,1224 0.398,1225 1.317,1226 0.868,1227 0.824,1228 1.097,1229 1.04,1230 0.204,1231 1.061,1232 4.205,1233 5.509,1235 7.013,1237 8.598,1239 10.222,1242 12.117,1247 2.724,1249 5.785,1252 3.853,1257 33.406,1258 86.562,1259 174.353,1260 216.856,1261 243.121,1262 253.121,1263 253.121,1264 50.185,1265 7.707,1266 71.45,1267 71.45,1268 24,1269 12.439,1270 4.322,1271 3.459,1272 47.344,1273 142,1274 136,1275 0.159,1276 211.992,1277 366.32,1278 509.02,1279 26538,1280 4.1,1281 20.924,1282 0.697,1283 0.585,1284 21.924,1285 17.552,1286 14.597,1287 0.442,1288 0.309,1289 9.347,1290 13.406,1291 9.121,1292 7.478,1293 15.175,1294 10.196,1295 12.958,1296 0.288,1297 0.169,1298 13.737,1299 7.584,1300 10.998,1301 0.19,1302 0.092,1303 11.614,1304 5.353,1305 8.817,1306 0.124,1307 0.051,1308 9.513,1309 3.6,1310 6.985,1311 0.079,1312 0.027,1313 7.344,1314 2.374,1315 0.257,1316 97.933,1317 0.211,1318 28.982,1319 0.414,1320 156,1321 506.103,1322 203.065,1323 544.116,1324 719.14,1325 508,1326 181,1327 476.845,1328 219.662,1329 499.669,1330 729.98,1331 469,1332 5}
{0 CHEMBL199913,1 1.665,2 13.733,3 3.437,4 11.814,5 122.425,6 8.026,7 0.364,8 4.125,9 4.258,10 3.756,11 3.645,12 5.136,13 3.617,14 4.712,15 4.91,16 4.138,17 4.069,18 5.69,19 4.005,20 5.015,21 5.251,22 4.226,23 4.235,24 5.935,25 4.13,26 5.046,27 5.291,28 4.201,29 4.155,30 6.078,31 4.039,32 4.924,33 5.177,34 3.935,35 4.063,36 5.853,37 3.949,38 4.898,39 5.156,40 3.937,41 4.053,42 5.769,43 3.924,44 4.88,45 5.167,46 3.851,47 3.98,48 5.742,49 3.83,50 4.71,51 4.994,52 3.851,53 3.816,54 5.595,55 3.697,56 0.045,57 0.862,58 11.044,59 4.707,60 6.067,61 6.57,62 0.36,63 1.382,64 23.835,65 8.189,66 26.18,67 11.658,68 0.413,69 1.634,70 38.884,71 11.824,72 38.277,73 16.775,74 0.809,75 1.562,76 47.137,77 11.608,78 82.559,79 16.155,80 0.579,81 1.454,82 35.128,83 10.408,84 58.648,85 14.844,86 0.458,87 1.433,88 34.867,89 10.155,90 43.324,91 15.004,92 0.521,93 1.335,94 35.926,95 10.438,96 49.982,97 15.432,98 0.41,99 1.111,100 31.378,101 8.518,102 36.683,103 12.797,104 10,105 45,106 0.275,107 0.583,108 0.751,109 0.849,110 0.872,111 0.872,112 3.44,113 1.01,114 -4.92,115 -4.83,116 -4.53,119 37.5,121 2,122 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 4,166 4,169 1,171 4,172 8,175 1,176 2,181 2,183 3,187 4,190 4,192 3,194 4,197 3,198 2,205 1,209 6,214 1,217 3,220 2,221 6,224 2,231 9,238 1,242 4,245 3,247 1,249 1,252 1584,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 18.797,259 31.544,260 12.151,261 21.127,262 16.276,263 16.276,264 16.276,265 16.276,266 16.276,267 13.769,268 46.17,269 5.778,270 17.485,271 4.142,272 2.283,273 1.268,274 0.679,275 0.536,276 0.536,277 4.138,279 2,282 1,283 1,284 893,285 3,288 430.239,295 2.351,296 29.03,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 64.667,308 412,309 4.237,310 3.821,311 6.396,312 3.964,313 3,314 3.881,315 1.94,316 9.692,317 2.91,318 4.18,319 3.269,320 6.163,321 3.81,322 2.875,323 3.725,324 0.8,325 9.147,326 2.66,327 4.089,328 3.126,329 6.059,330 3.758,331 2.83,332 3.27,333 0.657,334 8.708,335 2.602,336 3.61,337 2.766,338 5.332,339 3.339,340 2.402,341 2.839,342 0.555,343 6.89,344 2.247,345 3.451,346 2.597,347 5.216,348 3.114,349 2.18,350 2.748,351 0.4,352 6.317,353 2.032,354 3.226,355 2.415,356 4.955,357 2.981,358 2.095,359 2.256,361 5.8,362 1.777,363 2.876,364 2.182,365 4.346,366 2.569,367 1.623,368 1.991,370 4.134,371 1.53,372 2.821,373 2.02,374 4.165,375 2.391,376 1.482,377 1.905,379 3.743,380 1.306,381 2.65,382 1.588,383 3.864,384 2.307,385 1.378,386 1.669,388 3.23,389 1.234,390 2.386,391 1.538,392 3.493,393 2.067,394 1.116,395 1.371,397 2.566,398 1.057,399 2.053,400 1.159,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 2,409 1.146,410 3.324,411 1.956,412 1,413 1,415 2.136,416 0.954,417 2,418 1.136,419 3.247,420 1.732,421 0.749,422 0.885,424 1.782,425 0.717,426 1.962,427 0.994,428 3.236,429 1.664,430 0.708,431 0.852,433 1.715,434 0.662,435 1.261,436 0.436,437 2.581,438 0.863,444 14.662,445 0.489,446 0.661,447 0.022,448 35.25,449 1.175,450 14.5,451 0.483,452 20.75,453 0.692,454 28.602,455 0.953,456 33.338,457 0.595,458 24.954,459 0.832,460 6.667,461 0.222,462 7.931,463 0.264,464 0.12,466 0.293,472 0.748,473 1.612,474 0.606,475 1.056,476 0.535,477 0.975,478 0.812,479 1.077,480 0.711,481 0.874,482 0.558,483 0.933,484 0.999,485 1.156,486 0.87,487 0.998,488 0.912,489 0.992,490 1.319,491 0.939,492 0.952,493 0.934,494 1.723,495 0.994,496 1.136,497 0.935,498 0.795,499 0.856,500 1.47,501 0.941,502 0.847,503 1.11,504 0.806,505 1.003,506 0.706,507 1.034,508 0.669,509 0.871,510 0.724,511 0.82,512 0.464,513 0.873,514 0.643,515 0.97,516 0.627,517 0.816,518 0.514,519 0.77,520 5.5,521 0.136,522 3.556,523 1.75,524 1.289,525 0.792,526 0.422,527 0.46,528 0.312,529 0.166,530 13553,531 38038,532 2.107,533 46.4,534 2,535 18,537 1,538 2,539 1,540 2,542 1.723,543 2,544 3.726,545 0.276,547 1,550 93.252,551 1.665,552 3.525,553 4.539,554 5.129,555 5.272,556 5.272,557 3.203,558 4.548,559 4.877,560 3.903,561 1698.01,562 8.478,563 24773.3,565 1,568 325.212,569 1.295,570 4.851,571 0.167,572 0.005,573 0.079,574 0.038,575 0.033,576 0.022,577 0.012,578 0.015,579 0.01,580 0.006,581 0.388,582 0.17,583 1,584 0.496,585 157.54,586 -0.053,587 -0.312,588 0.023,589 -0.082,590 0.008,591 -0.018,592 0.034,593 0.114,594 0.008,595 0.046,596 0.065,597 -0.004,598 -0.077,599 -0.129,600 -0.002,601 -0.041,602 -0.023,603 -0.025,604 -0.061,605 0.035,606 -0.012,607 -0.005,608 -0.133,609 -0.061,610 -0.099,611 0.056,612 -0.042,613 0.054,614 -0.165,615 0.002,616 -0.03,617 -0.106,618 -0.02,619 -0.075,620 0.007,621 -0.069,622 0.118,623 0.069,624 0.094,625 0.106,626 0.166,627 0.104,628 0.176,629 -0.044,630 0.237,631 0.124,632 0.183,633 0.215,634 1.391,635 5.726,636 0.8,637 35.52,638 1.005,639 1.137,640 3.69,641 13.618,642 0.671,643 3.526,644 3.829,645 4.078,646 4.277,647 4.489,648 4.477,649 4.575,650 4.682,651 4.787,652 4.883,653 7.912,654 0.63,655 449.43,656 3.526,657 5.056,658 5.894,659 6.751,660 7.6,661 8.459,662 9.312,663 10.173,664 11.028,665 11.888,666 10.7,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 56,705 13,706 1,707 33,709 59,710 21,711 10,712 3,713 3,717 4,718 4,719 2,724 2,725 1,727 2,729 11,730 10,731 1,733 1,737 1,741 1,744 1,747 26,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,791 1,796 4,802 2,805 30,810 9,811 2,814 1,815 2,824 2,825 1.8,828 1,832 15,833 9.752,834 6.611,835 3.51,836 2.261,837 1.293,838 0.981,839 7.31,840 9.968,841 3.714,842 4.22,843 4.687,844 5.109,845 5.552,846 5.565,847 5.727,848 6.018,849 6.379,850 6.717,851 1,852 46,853 11.131,854 4.724,855 7.669,856 21.596,857 17.973,859 2.169,860 65.056,863 1,864 282.506,865 85.88,866 75.841,867 78.297,868 25.145,871 85.88,872 385.949,873 75.841,875 22.933,876 55.916,877 93.202,878 22.359,879 4.227,880 270.735,881 78.297,882 282.506,883 161.721,884 25.145,885 78.297,887 258.964,888 48.687,891 51.891,892 58.249,893 129.879,895 282.506,896 100.986,897 164.177,900 282.506,901 38.927,902 53.201,903 36.022,904 137.013,905 282.506,906 100.986,907 164.177,909 0.579,910 0.337,911 0.175,912 0.093,913 21,914 9,915 0.085,916 5,918 1,919 4.288,920 257.098,922 24,923 140.452,928 21.628,929 10.14,930 5.566,932 100.986,933 9.038,934 9.064,938 3.598,940 36.022,941 547.67,942 40,946 12.726,950 0.276,952 56.305,953 63.654,954 0.287,955 0.607,956 0.782,957 0.883,958 0.908,959 0.908,960 4.956,961 1.482,962 5.861,963 4.134,964 4.511,965 4.905,966 2.286,967 6.627,968 4.372,969 6.11,970 1.378,971 7.394,972 3.743,973 4.007,974 4.59,975 1.738,976 7.431,977 3.744,978 7.386,979 1.116,980 9.027,981 3.23,982 6.066,983 6.94,984 3.012,985 10.497,986 5.809,987 8.692,988 1,989 10.717,990 2.566,991 6.382,992 7.424,993 3.144,994 12.117,995 6.025,996 10.03,997 1,998 12.445,999 2.275,1000 7.888,1001 9.268,1002 4.139,1003 14.678,1004 7.522,1005 11.389,1006 0.749,1007 14.198,1008 2.136,1009 8.587,1010 10.122,1011 4.541,1012 16.635,1013 8.144,1014 12.764,1015 0.708,1016 15.969,1017 1.782,1018 9.854,1019 11.744,1020 5.383,1021 19.009,1022 9.388,1023 3,1025 17.753,1026 1.715,1027 10.742,1028 12.793,1029 5.912,1030 21.116,1031 10.214,1032 2.875,1033 9.692,1034 19.547,1036 11.901,1037 14.3,1038 6.67,1039 23.414,1040 11.341,1041 2.83,1042 9.147,1043 21.348,1044 3.881,1045 12.883,1046 15.461,1047 7.263,1048 25.591,1049 12.272,1050 2.402,1051 8.708,1052 23.155,1053 3.725,1054 13.992,1055 16.903,1056 7.976,1057 27.858,1058 13.348,1059 2.18,1060 6.89,1061 24.968,1062 3.27,1063 15.021,1064 18.132,1065 8.602,1066 30.069,1067 14.333,1068 2.095,1069 6.317,1070 26.784,1071 2.839,1072 16.11,1073 19.535,1074 9.292,1075 32.324,1076 15.387,1077 1.623,1078 5.8,1079 28.603,1080 2.748,1081 17.162,1082 20.806,1083 9.936,1084 34.553,1085 16.4,1086 12775,1087 21635,1088 22.364,1089 37.58,1090 49.243,1091 50.495,1092 50.057,1093 49.273,1094 48.873,1095 58.787,1096 8.706,1097 136.266,1098 45.306,1099 5.237,1100 5.821,1101 6.198,1102 5.037,1103 5,1104 6.881,1105 3.348,1106 16.454,1107 4.91,1108 12.861,1109 1.492,1110 1.53,1111 1.517,1112 1.493,1113 1.481,1114 1.781,1115 0.264,1116 4.129,1117 1.373,1118 3.981,1119 4.035,1120 4.096,1121 3.892,1122 7.427,1123 3.884,1124 3.902,1125 3.938,1126 3.88,1127 3.76,1128 5.033,1129 3.771,1130 3.831,1131 3.887,1132 3.761,1133 3.666,1134 4.976,1135 3.682,1136 3.682,1137 3.75,1138 3.601,1139 3.5,1140 4.629,1141 3.507,1142 3.31,1143 3.374,1144 3.559,1145 3.109,1146 4.37,1147 3.115,1148 3.238,1149 3.304,1150 3.242,1151 3.068,1152 4.277,1153 3.065,1154 3.111,1155 3.206,1156 3.161,1157 2.941,1158 4.199,1159 2.91,1160 3.043,1161 3.153,1162 2.898,1163 2.799,1164 4.016,1165 2.784,1166 0.128,1167 0.116,1168 0.194,1169 0.12,1170 0.091,1171 4.237,1172 0.118,1173 3.821,1174 0.059,1175 6.396,1176 0.294,1177 3.964,1178 0.088,1179 3,1180 3.881,1181 1.94,1182 9.692,1183 2.91,1184 1.906,1185 1.885,1186 2.052,1187 2.074,1188 1.399,1189 2.065,1190 1.861,1191 1.807,1192 1.982,1193 2.008,1194 1.263,1195 2.009,1196 1.782,1197 1.724,1198 1.947,1199 1.952,1200 1.154,1201 1.963,1202 1.641,1203 1.577,1204 1.788,1205 1.839,1206 0.835,1207 1.834,1208 1.25,1209 1.189,1210 1.513,1211 1.493,1212 0.825,1213 1.491,1214 1.208,1215 1.144,1216 1.511,1217 1.43,1218 0.806,1219 1.446,1220 1.153,1221 1.064,1222 1.45,1223 1.376,1224 0.605,1225 1.429,1226 1.023,1227 0.916,1228 1.371,1229 1.327,1230 0.578,1231 1.353,1232 4.205,1233 5.509,1235 7.013,1237 8.598,1239 10.222,1242 12.199,1247 7.303,1248 6.62,1251 0.119,1252 4.113,1257 35.293,1258 93.252,1259 197.382,1260 254.192,1261 287.212,1262 295.212,1263 295.212,1264 53.522,1265 7.707,1266 73.39,1267 73.39,1268 24,1269 12.439,1270 3.807,1271 3,1272 47.344,1273 142,1274 136,1275 0.159,1276 223.572,1277 387.35,1278 537.276,1279 26538,1280 3.6,1281 20.924,1282 0.697,1283 0.61,1284 21.924,1285 18.293,1286 14.597,1287 0.442,1288 0.337,1289 10.266,1290 13.466,1291 10.038,1292 8.216,1293 15.175,1294 11.109,1295 12.958,1296 0.288,1297 0.19,1298 13.737,1299 8.53,1300 10.998,1301 0.19,1302 0.107,1303 11.614,1304 6.225,1305 8.817,1306 0.124,1307 0.062,1308 9.513,1309 4.373,1310 6.985,1311 0.079,1312 0.034,1313 7.344,1314 2.997,1315 0.257,1316 97.479,1317 0.211,1318 28.982,1319 0.414,1320 156,1321 439.388,1322 201.187,1323 483.955,1324 639.57,1325 452,1326 181,1327 420.094,1328 217.839,1329 442.172,1330 647.46,1331 417,1332 6.097}
{0 CHEMBL200400,1 1.717,2 12.964,3 2.66,4 7.074,5 113.069,6 8.427,7 0.387,8 4.027,9 4.157,10 3.7,11 3.549,12 5.072,13 3.532,14 4.583,15 4.777,16 4.058,17 3.942,18 5.605,19 3.889,20 4.836,21 5.058,22 4.143,23 4.081,24 5.82,25 3.995,26 4.865,27 5.09,28 4.13,29 4.019,30 5.962,31 3.921,32 4.783,33 5.028,34 3.829,35 3.958,36 5.707,37 3.84,38 4.769,39 5.035,40 3.833,41 3.906,42 5.64,43 3.778,44 4.666,45 4.95,46 3.749,47 3.776,48 5.606,49 3.652,50 4.442,51 4.692,52 3.782,53 3.636,54 5.445,55 3.554,56 0.068,57 0.786,58 8.976,59 4.051,60 5.912,61 5.467,62 0.379,63 1.217,64 19.788,65 6.882,66 24.352,67 9.5,68 0.422,69 1.38,70 31.91,71 9.73,72 35.699,73 13.307,74 0.788,75 1.335,76 39.272,77 9.555,78 79.07,79 12.647,80 0.535,81 1.295,82 29.644,83 9.208,84 51.345,85 12.856,86 0.45,87 1.25,88 31.36,89 9.001,90 37.594,91 13.204,92 0.528,93 1.082,94 29.944,95 8.183,96 47.172,97 11.925,98 0.359,99 0.893,100 23.282,101 6.392,102 29.927,103 9.259,104 10,105 43,106 0.291,107 0.604,108 0.735,109 0.82,110 0.847,111 0.847,112 3.374,113 0.978,114 -4.49,115 -4.41,116 -4.16,119 38,122 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 2,165 4,166 4,169 1,171 3,172 7,175 1,181 1,183 3,187 2,190 4,192 3,194 4,197 3,198 2,205 1,209 5,214 1,217 3,220 2,221 5,224 2,231 7,238 1,242 2,245 3,247 1,249 1,252 1302,253 19.016,254 19.016,255 19.016,256 19.016,257 19.016,258 17.382,259 29.712,260 11.151,261 19.704,262 15.276,263 15.276,264 15.276,265 15.276,266 15.276,267 12.769,268 44.801,269 5.28,270 16.474,271 3.927,272 2.074,273 1.3,274 0.8,275 0.64,276 0.64,277 4.067,279 2,282 1,283 1,284 793,285 3,286 76.364,288 296.578,295 2.181,296 27.705,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 60.667,308 363,309 4.238,310 3.828,311 6.403,312 3.978,313 3.012,314 3.881,315 1.94,316 9.713,317 2.923,318 4.183,319 3.269,320 6.163,321 3.812,322 2.88,323 3.725,324 0.8,325 9.15,326 2.66,327 4.101,328 3.127,329 6.059,330 3.761,331 2.834,332 3.282,333 0.657,334 8.708,335 2.603,336 3.613,337 2.766,338 5.339,339 3.347,340 2.411,341 2.84,342 0.555,343 6.898,344 2.251,345 3.451,346 2.606,347 5.238,348 3.124,349 2.198,350 2.749,351 0.4,352 6.4,353 2.032,354 3.253,355 2.476,356 4.955,357 2.981,358 2.096,359 2.285,361 5.8,362 1.776,363 2.872,364 2.196,365 4.35,366 2.495,367 1.575,368 1.991,370 4.138,371 1.44,372 2.813,373 2.019,374 4.165,375 2.362,376 1.448,377 1.9,379 3.741,380 1.245,381 2.613,382 1.587,383 3.829,384 2.173,385 1.212,386 1.617,388 2.802,389 1.155,390 2.276,391 1.159,392 3.488,393 1.967,394 1,395 1.181,397 2.475,398 0.965,399 2,400 1.146,401 3.414,402 1.947,403 1,404 1,406 2.275,407 0.941,408 1.963,409 0.994,410 3.238,411 1.665,412 0.745,413 0.88,415 1.73,416 0.664,417 1.395,418 0.947,419 2.799,420 1.188,421 0.202,422 0.223,424 0.471,425 0.197,426 1.261,427 0.436,428 2.618,429 0.951,435 1,436 0.256,437 2.555,438 0.863,444 13.662,445 0.488,446 0.661,447 0.024,448 34.25,449 1.223,450 14.5,451 0.518,452 19.75,453 0.705,454 24.433,455 0.873,456 30.738,457 0.615,458 23.902,459 0.854,460 6.657,461 0.238,462 6.941,463 0.248,464 0.129,466 0.315,472 0.756,473 1.619,474 0.575,475 1.02,476 0.539,477 0.932,478 0.834,479 1.023,480 0.702,481 0.821,482 0.576,483 0.895,484 1.051,485 1.165,486 0.897,487 0.997,488 0.987,489 0.984,490 1.376,491 0.93,492 1.013,493 0.947,494 1.797,495 1.028,496 0.975,497 0.974,498 0.809,499 0.926,500 1.165,501 1.025,502 0.703,503 1.107,504 0.761,505 0.994,506 0.455,507 1.008,508 0.738,509 0.773,510 0.728,511 0.713,512 0.519,513 0.775,514 0.702,515 1.051,516 0.68,517 0.877,518 0.609,519 0.805,520 5.5,521 0.119,522 3.444,523 1.688,524 1.24,525 0.792,526 0.422,527 0.396,528 0.279,529 0.172,530 11293,531 33922,532 2.115,533 44,535 18,537 1,538 2,539 1,542 1.705,543 2,544 3.643,545 0.318,546 1,547 1,550 85.865,551 1.717,552 3.569,553 4.343,554 4.844,555 5.004,556 5.004,557 3.098,558 4.209,559 4.777,560 3.816,561 1442.55,562 8.28,563 19880.2,565 1,567 1,568 282.193,569 1.333,570 4.748,571 0.177,572 0.006,573 0.084,574 0.04,575 0.034,576 0.025,577 0.014,578 0.014,579 0.01,580 0.007,581 0.411,582 0.17,583 1,584 0.517,585 143.467,586 -0.071,587 -0.338,588 0.02,589 -0.087,590 -0.006,591 -0.019,592 0.011,593 0.156,594 0.003,595 0.074,596 0.052,597 0.007,598 -0.106,599 -0.14,600 -0.013,601 -0.042,602 -0.051,603 -0.024,604 -0.112,605 0.059,606 -0.058,607 -0.014,608 -0.195,609 -0.103,610 -0.077,611 0.022,612 -0.072,613 -0.005,614 -0.138,615 -0.067,616 0.031,617 -0.138,618 0.037,619 -0.063,620 0.069,621 -0.024,622 0.108,623 0.162,624 0.127,625 0.212,626 0.165,627 0.206,628 0.161,629 -0.079,630 0.21,631 0.077,632 0.161,633 0.18,634 1.408,635 5.353,636 0.786,637 31.25,638 1.011,639 1.136,640 3.257,641 10.605,642 0.681,643 3.466,644 3.784,645 4.043,646 4.19,647 4.394,648 4.407,649 4.489,650 4.605,651 4.718,652 4.787,653 7.466,654 0.645,655 421.37,656 3.466,657 5.004,658 5.849,659 6.713,660 7.568,661 8.432,662 9.29,663 10.155,664 11.014,665 11.879,666 12,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 50,704 1,705 13,706 1,707 31,709 53,710 19,711 10,712 3,713 3,717 4,718 4,719 2,725 1,729 11,730 8,731 1,733 1,737 1,741 1,744 1,747 22,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,774 1,776 3,784 1,791 1,796 4,802 2,805 28,810 7,811 2,814 1,815 2,824 2,825 2,828 1,832 14,833 8.752,834 6.111,835 3.01,836 2.279,837 1.304,838 0.99,839 6.211,840 9.771,841 3.664,842 4.19,843 4.668,844 5.072,845 5.52,846 5.534,847 5.694,848 5.998,849 6.366,850 6.702,851 0.889,852 42,853 10.364,854 4.429,855 7.716,856 19.963,857 16.64,859 2.216,860 62.056,863 1,864 235.422,865 80.811,866 75.841,867 78.297,868 25.145,871 80.811,872 338.864,873 75.841,875 17.864,876 55.916,877 93.202,878 22.359,879 4.227,880 223.651,881 78.297,882 235.422,883 156.652,884 25.145,885 78.297,887 235.422,888 25.145,891 46.822,892 58.249,893 129.879,895 235.422,896 100.986,897 159.108,900 235.422,901 33.858,902 53.201,903 36.022,904 137.013,905 235.422,906 100.986,907 159.108,909 0.584,910 0.343,911 0.166,912 0.087,913 21,914 9,915 0.094,916 5,918 1,919 4.147,920 234.555,922 22,923 128.606,928 19.707,929 8.825,930 4.709,932 100.986,933 9.012,934 9.01,938 3.588,940 36.022,941 495.516,942 38,946 12.353,950 0.259,952 50.538,953 56.824,954 0.304,955 0.632,956 0.77,957 0.858,958 0.887,959 0.887,960 4.913,961 1.448,962 5.826,963 4.138,964 4.466,965 4.875,966 2.286,967 6.605,968 4.321,969 6.079,970 1.212,971 7.37,972 3.741,973 4.007,974 4.59,975 1.738,976 7.431,977 3.744,978 7.368,979 1,980 9.011,981 2.802,982 6.057,983 6.936,984 3.012,985 10.5,986 5.792,987 8.683,988 1,989 10.709,990 2.475,991 6.399,992 7.43,993 3.144,994 12.125,995 6.042,996 10.028,997 0.745,998 12.442,999 2.275,1000 7.895,1001 9.27,1002 4.139,1003 14.686,1004 7.521,1005 11.392,1006 0.202,1007 14.199,1008 1.73,1009 8.611,1010 10.127,1011 4.541,1012 16.645,1013 8.166,1014 12.77,1016 15.972,1017 0.471,1018 9.872,1019 11.747,1020 5.383,1021 19.018,1022 9.399,1023 3.012,1025 17.758,1027 10.77,1028 12.797,1029 5.912,1030 21.128,1031 10.242,1032 2.88,1033 9.713,1034 19.553,1036 11.927,1037 14.304,1038 6.67,1039 23.426,1040 11.363,1041 2.834,1042 9.15,1043 21.355,1044 3.881,1045 12.916,1046 15.465,1047 7.263,1048 25.606,1049 12.306,1050 2.411,1051 8.708,1052 23.163,1053 3.725,1054 14.026,1055 16.906,1056 7.976,1057 27.873,1058 13.38,1059 2.198,1060 6.898,1061 24.976,1062 3.282,1063 15.06,1064 18.135,1065 8.602,1066 30.087,1067 14.374,1068 2.096,1069 6.4,1070 26.793,1071 2.84,1072 16.151,1073 19.538,1074 9.292,1075 32.342,1076 15.429,1077 1.575,1078 5.8,1079 28.613,1080 2.749,1081 17.207,1082 20.809,1083 9.936,1084 34.574,1085 16.449,1086 10595,1087 18527,1088 20.978,1089 34.057,1090 45.741,1091 47.284,1092 46.75,1093 45.671,1094 45.223,1095 55.11,1096 8.706,1097 128.601,1098 41.704,1099 5.238,1100 5.828,1101 6.021,1102 5.052,1103 5.012,1104 6.881,1105 3.348,1106 16.447,1107 4.923,1108 12.297,1109 1.476,1110 1.525,1111 1.508,1112 1.473,1113 1.459,1114 1.778,1115 0.281,1116 4.148,1117 1.345,1118 3.981,1119 4.035,1120 4.096,1121 3.891,1122 7.427,1123 3.883,1124 3.906,1125 3.942,1126 3.883,1127 3.751,1128 5.033,1129 3.769,1130 3.829,1131 3.882,1132 3.771,1133 3.655,1134 4.976,1135 3.675,1136 3.664,1137 3.736,1138 3.599,1139 3.479,1140 4.629,1141 3.485,1142 3.272,1143 3.348,1144 3.543,1145 3.098,1146 4.396,1147 3.093,1148 3.118,1149 3.206,1150 3.227,1151 2.941,1152 4.276,1153 2.91,1154 3.111,1155 3.174,1156 3.055,1157 2.835,1158 4.198,1159 2.879,1160 2.879,1161 2.922,1162 2.879,1163 2.797,1164 4.016,1165 2.77,1166 0.137,1167 0.123,1168 0.207,1169 0.128,1170 0.097,1171 4.238,1172 0.125,1173 3.828,1174 0.063,1175 6.403,1176 0.313,1177 3.978,1178 0.094,1179 3.012,1180 3.881,1181 1.94,1182 9.713,1183 2.923,1184 1.906,1185 1.885,1186 2.029,1187 2.08,1188 1.347,1189 2.066,1190 1.856,1191 1.8,1192 1.978,1193 2.007,1194 1.241,1195 2.004,1196 1.768,1197 1.712,1198 1.928,1199 1.946,1200 1.154,1201 1.952,1202 1.626,1203 1.559,1204 1.784,1205 1.828,1206 0.825,1207 1.825,1208 1.222,1209 1.155,1210 1.513,1211 1.46,1212 0.811,1213 1.465,1214 1.153,1215 1.064,1216 1.451,1217 1.376,1218 0.605,1219 1.429,1220 0.993,1221 0.932,1222 1.201,1223 1.305,1224 0.388,1225 1.274,1226 0.868,1227 0.824,1228 1.098,1229 1.018,1230 0.325,1231 1.061,1232 4.143,1233 5.493,1235 7.02,1237 8.621,1239 10.257,1242 12.164,1247 5.023,1248 6.433,1251 0.148,1252 4.065,1257 32.239,1258 85.865,1259 178.47,1260 217.173,1261 242.193,1262 250.193,1263 250.193,1264 46.706,1265 7.491,1266 73.39,1267 73.39,1268 22,1269 12.427,1270 3.807,1271 3,1272 42.7,1273 125,1274 118,1275 0.163,1276 204.387,1277 352.75,1278 490.465,1279 19678,1280 4,1281 19.51,1282 0.697,1283 0.603,1284 20.51,1285 16.879,1286 13.597,1287 0.439,1288 0.326,1289 9.266,1290 12.469,1291 9.056,1292 7.39,1293 14.175,1294 10.109,1295 12.251,1296 0.285,1297 0.182,1298 13.03,1299 7.842,1300 10.498,1301 0.187,1302 0.102,1303 11.114,1304 5.71,1305 7.918,1306 0.122,1307 0.056,1308 8.614,1309 3.629,1310 6.206,1311 0.078,1312 0.03,1313 6.565,1314 2.409,1315 0.263,1316 91.479,1317 0.218,1318 27.328,1319 0.427,1320 148,1321 431.388,1322 193.187,1323 475.717,1324 628.09,1325 444,1326 173,1327 412.094,1328 210.006,1329 434.069,1330 636.42,1331 409,1332 5}
{0 CHEMBL200465,1 1.69,2 13.103,3 3.385,4 11.457,5 117.643,6 8.215,7 0.375,8 4.078,9 4.209,10 3.728,11 3.598,12 5.103,13 3.575,14 4.66,15 4.854,16 4.119,17 4.018,18 5.662,19 3.962,20 4.946,21 5.181,22 4.176,23 4.157,24 5.907,25 4.056,26 4.932,27 5.168,28 4.169,29 4.063,30 5.988,31 3.964,32 4.845,33 5.091,34 3.883,35 3.994,36 5.81,37 3.89,38 4.817,39 5.071,40 3.885,41 4.001,42 5.68,43 3.868,44 4.806,45 5.094,46 3.793,47 3.9,48 5.676,49 3.749,50 4.596,51 4.879,52 3.816,53 3.712,54 5.54,55 3.611,56 0.056,57 0.824,58 10.019,59 4.378,60 5.891,61 6.021,62 0.362,63 1.32,64 21.907,65 7.588,66 24.652,67 10.675,68 0.509,69 1.515,70 36.394,71 10.854,72 42.531,73 15.238,74 0.698,75 1.414,76 42.36,77 10.285,78 73.207,79 14.023,80 0.638,81 1.366,82 32.115,83 9.081,84 61.938,85 12.78,86 0.427,87 1.341,88 31.695,89 9.688,90 35.369,91 14.147,92 0.476,93 1.224,94 34.026,95 9.99,96 48.276,97 14.667,98 0.464,99 0.997,100 28.603,101 7.48,102 36.981,103 11.106,104 10,105 44,106 0.283,107 0.603,108 0.765,109 0.845,110 0.87,111 0.87,112 3.407,113 0.997,114 -4.71,115 -4.62,116 -4.34,119 37.7,121 2,125 6,127 1,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 3,165 4,166 2,169 1,171 4,172 7,175 1,176 2,179 2,181 1,183 3,187 4,190 2,192 3,194 4,197 3,198 1,205 1,209 6,212 1,214 1,217 3,220 2,221 4,224 1,231 9,234 2,238 1,242 4,245 1,252 1437,253 19.723,254 19.723,255 19.723,256 19.723,257 19.723,258 18.089,259 29.674,260 11.651,261 20.417,262 15.776,263 15.776,264 15.776,265 15.776,266 15.776,267 13.269,268 43.148,269 5.528,270 16.991,271 4.037,272 2.127,273 1.155,274 0.679,275 0.528,276 0.528,277 4.104,279 2,282 1,283 1,284 827,285 3,287 92.242,288 306.652,295 2.245,296 28.466,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 62.667,308 380,309 4.237,310 3.838,311 6.397,312 3.961,313 3.003,314 3.881,315 1.985,316 9.696,317 2.886,318 4.181,319 3.269,320 6.163,321 3.809,322 2.877,323 3.725,324 0.8,325 9.147,326 2.659,327 4.093,328 3.127,329 6.059,330 3.757,331 2.831,332 3.273,333 0.657,334 8.708,335 2.6,336 3.611,337 2.766,338 5.334,339 3.34,340 2.405,341 2.84,342 0.624,343 6.892,344 2.243,345 3.451,346 2.607,347 5.222,348 3.115,349 2.187,350 2.749,351 0.375,352 6.34,353 2.027,354 3.237,355 2.471,356 4.955,357 2.981,358 2.095,359 2.268,361 5.8,362 1.777,363 2.874,364 2.189,365 4.348,366 2.528,367 1.591,368 1.991,370 4.136,371 1.485,372 2.816,373 2.019,374 4.165,375 2.373,376 1.458,377 1.902,379 3.742,380 1.26,381 2.629,382 1.587,383 3.847,384 2.245,385 1.291,386 1.639,388 3.006,389 1.214,390 2.319,391 1.21,392 3.489,393 2.022,394 1.078,395 1.272,397 2.535,398 1.014,399 2,400 1.158,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.963,409 1.146,410 3.239,411 1.666,412 0.745,413 0.88,415 1.732,416 0.665,417 1.833,418 0.994,419 3.097,420 1.577,421 0.618,422 0.648,424 1.372,425 0.586,426 1.618,427 0.803,428 3,429 1.564,430 0.554,431 0.618,433 1.337,434 0.556,435 1.261,436 0.436,437 2.569,438 0.863,444 14.162,445 0.488,446 0.661,447 0.023,448 34.75,449 1.198,450 14.5,451 0.5,452 20.25,453 0.698,454 26.599,455 0.917,456 32.038,457 0.604,458 24.443,459 0.843,460 6.629,461 0.229,462 7.469,463 0.258,464 0.124,466 0.304,472 0.751,473 1.615,474 0.59,475 1.038,476 0.539,477 0.954,478 0.81,479 1.107,480 0.696,481 0.869,482 0.556,483 0.921,484 0.987,485 1.073,486 0.886,487 0.963,488 0.908,489 0.981,490 1.367,491 1.037,492 0.958,493 0.965,494 1.758,495 0.992,496 1.299,497 0.87,498 0.86,499 0.8,500 1.596,501 0.938,502 0.674,503 1.098,504 0.802,505 1.06,506 0.452,507 1.088,508 0.605,509 0.939,510 0.691,511 0.846,512 0.442,513 0.871,514 0.654,515 0.788,516 0.619,517 0.709,518 0.529,519 0.678,520 5.5,521 0.128,522 3.556,523 1.59,524 1.258,525 0.771,526 0.412,527 0.426,528 0.293,529 0.171,530 12359,531 35686,532 2.111,533 45.3,535 17,537 1,538 2,540 4,542 1.714,543 2,544 3.664,545 0.296,547 1,550 89.592,551 1.69,552 3.601,553 4.573,554 5.049,555 5.2,556 5.2,557 3.112,558 4.444,559 4.828,560 3.853,561 1564.36,562 8.381,563 22183.9,565 1,567 1,568 303.58,569 1.314,570 4.8,571 0.172,572 0.006,573 0.081,574 0.037,575 0.033,576 0.023,577 0.013,578 0.015,579 0.01,580 0.006,581 0.395,582 0.17,583 1,584 0.506,585 150.412,586 -0.061,587 -0.325,588 0.022,589 -0.084,590 -0.001,591 -0.018,592 0.033,593 0.082,594 0.012,595 0.038,596 0.065,597 -0.007,598 -0.038,599 -0.051,600 -0.01,601 -0.017,602 0.002,603 -0.023,604 -0.115,605 -0.06,606 -0.002,607 -0.03,608 -0.18,609 -0.058,610 -0.2,611 0.147,612 -0.109,613 0.089,614 -0.243,615 -0.02,616 0.037,617 -0.091,618 -0.022,619 -0.119,620 0.06,621 -0.108,622 0.151,623 -0.032,624 0.137,625 0.099,626 0.193,627 0.13,628 0.22,629 0.144,630 0.271,631 0.224,632 0.207,633 0.302,634 1.446,635 5.551,636 0.793,637 33.229,638 1.008,639 1.137,640 3.475,641 12.078,642 0.676,643 3.497,644 3.807,645 4.06,646 4.263,647 4.419,648 4.454,649 4.533,650 4.644,651 4.754,652 4.852,653 7.671,654 0.637,655 435.4,656 3.497,657 5.03,658 5.872,659 6.732,660 7.584,661 8.446,662 9.301,663 10.163,664 11.02,665 11.883,666 11.3,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 53,705 13,706 1,707 32,709 56,710 20,711 10,712 3,713 3,717 4,718 4,719 2,724 3,727 3,729 11,730 9,733 1,737 1,741 1,744 1,747 24,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,773 1,775 1,776 3,784 1,791 1,796 4,802 2,805 29,810 8,811 2,814 1,815 2,824 2,825 1.9,828 1,832 14.5,833 9.252,834 6.361,835 3.302,836 2.27,837 1.298,838 0.984,839 6.753,840 9.874,841 3.689,842 4.205,843 4.677,844 5.103,845 5.528,846 5.557,847 5.707,848 6.008,849 6.373,850 6.712,851 0.889,852 43,853 10.749,854 4.579,855 7.692,856 20.779,857 17.298,859 2.192,860 63.556,863 1,864 258.964,865 83.774,866 75.841,867 78.297,868 25.145,871 83.774,872 362.406,873 75.841,875 20.828,876 55.916,877 93.202,878 22.359,879 4.227,880 247.193,881 78.297,882 258.964,883 159.615,884 25.145,885 78.297,887 211.88,888 72.229,891 49.785,892 58.249,893 129.879,895 258.964,896 100.986,897 162.071,900 258.964,901 36.822,902 53.201,903 36.022,904 137.013,905 258.964,906 100.986,907 162.071,909 0.581,910 0.34,911 0.176,912 0.087,913 21,914 9,915 0.089,916 5,918 1,919 4.206,920 246.331,922 23,923 136.881,928 20.666,929 9.476,930 5.122,932 100.986,933 9.021,934 9.035,938 3.586,940 36.022,941 522.022,942 39,946 12.551,950 0.221,952 53.422,953 60.239,954 0.295,955 0.629,956 0.798,957 0.881,958 0.908,959 0.908,960 4.934,961 1.458,962 5.844,963 4.136,964 4.489,965 4.89,966 2.339,967 6.616,968 4.344,969 6.095,970 1.291,971 7.382,972 3.742,973 4.007,974 4.59,975 1.738,976 7.431,977 3.73,978 7.374,979 1.078,980 9.018,981 3.006,982 6.052,983 6.934,984 3.123,985 10.495,986 5.781,987 8.685,988 1,989 10.712,990 2.535,991 6.399,992 7.43,993 3.217,994 12.121,995 6.018,996 10.027,997 0.745,998 12.442,999 2.275,1000 7.88,1001 9.266,1002 4.294,1003 14.679,1004 7.489,1005 11.388,1006 0.618,1007 14.197,1008 1.732,1009 8.603,1010 10.125,1011 4.678,1012 16.638,1013 8.124,1014 12.764,1015 0.554,1016 15.969,1017 1.372,1018 9.853,1019 11.744,1020 5.58,1021 19.01,1022 9.347,1023 3.003,1025 17.753,1026 1.337,1027 10.756,1028 12.795,1029 6.104,1030 21.118,1031 10.178,1032 2.877,1033 9.696,1034 19.548,1036 11.904,1037 14.301,1038 6.909,1039 23.416,1040 11.291,1041 2.831,1042 9.147,1043 21.349,1044 3.881,1045 12.895,1046 15.462,1047 7.507,1048 25.594,1049 12.221,1050 2.405,1051 8.708,1052 23.157,1053 3.725,1054 14,1055 16.904,1056 8.258,1057 27.861,1058 13.286,1059 2.187,1060 6.892,1061 24.969,1062 3.273,1063 15.034,1064 18.133,1065 8.895,1066 30.072,1067 14.265,1068 2.095,1069 6.34,1070 26.786,1071 2.84,1072 16.121,1073 19.536,1074 9.617,1075 32.327,1076 15.31,1077 1.591,1078 5.8,1079 28.605,1080 2.749,1081 17.175,1082 20.807,1083 10.276,1084 34.556,1085 16.316,1086 11624,1087 19953,1088 21.671,1089 35.819,1090 47.685,1091 49.039,1092 48.457,1093 47.906,1094 47.465,1095 57.372,1096 8.885,1097 133.433,1098 43.873,1099 5.237,1100 5.838,1101 5.994,1102 5.035,1103 5.003,1104 6.881,1105 3.458,1106 16.47,1107 4.886,1108 12.575,1109 1.49,1110 1.532,1111 1.514,1112 1.497,1113 1.483,1114 1.793,1115 0.278,1116 4.17,1117 1.371,1118 3.98,1119 4.034,1120 4.096,1121 3.891,1122 7.427,1123 3.883,1124 3.902,1125 3.938,1126 3.88,1127 3.748,1128 5.033,1129 3.764,1130 3.829,1131 3.884,1132 3.763,1133 3.659,1134 4.976,1135 3.675,1136 3.676,1137 3.745,1138 3.6,1139 3.496,1140 4.629,1141 3.502,1142 3.284,1143 3.355,1144 3.553,1145 3.101,1146 4.377,1147 3.099,1148 3.196,1149 3.246,1150 3.233,1151 2.979,1152 4.272,1153 3,1154 3.111,1155 3.206,1156 3.118,1157 2.941,1158 4.196,1159 2.91,1160 2.88,1161 2.936,1162 2.888,1163 2.798,1164 4.016,1165 2.77,1166 0.132,1167 0.12,1168 0.2,1169 0.124,1170 0.094,1171 4.237,1172 0.121,1173 3.838,1174 0.062,1175 6.397,1176 0.303,1177 3.961,1178 0.09,1179 3.003,1180 3.881,1181 1.985,1182 9.696,1183 2.886,1184 1.906,1185 1.885,1186 1.992,1187 2.06,1188 1.29,1189 2.042,1190 1.82,1191 1.761,1192 1.965,1193 1.975,1194 1.203,1195 1.983,1196 1.686,1197 1.635,1198 1.851,1199 1.874,1200 1.154,1201 1.861,1202 1.57,1203 1.504,1204 1.79,1205 1.746,1206 0.934,1207 1.781,1208 1.446,1209 1.371,1210 1.674,1211 1.705,1212 0.825,1213 1.702,1214 1.219,1215 1.153,1216 1.513,1217 1.453,1218 0.81,1219 1.462,1220 1.153,1221 1.064,1222 1.451,1223 1.376,1224 0.604,1225 1.429,1226 0.929,1227 0.851,1228 1.178,1229 1.237,1230 0.379,1231 1.222,1232 4.174,1233 5.485,1234 2.398,1235 6.984,1236 4.443,1237 8.564,1238 6.293,1239 10.185,1242 12.181,1247 6.333,1248 6.571,1251 -0.009,1252 4.066,1257 33.766,1258 89.592,1259 190.874,1260 242.361,1261 267.58,1262 275.58,1263 275.58,1264 49.793,1265 7.604,1266 73.39,1267 73.39,1268 23,1269 12.432,1270 3.807,1271 3,1272 44.997,1273 133,1274 127,1275 0.161,1276 213.98,1277 370.05,1278 513.87,1279 22998,1280 3.8,1281 20.217,1282 0.697,1283 0.606,1284 21.217,1285 17.586,1286 14.097,1287 0.441,1288 0.332,1289 9.796,1290 12.971,1291 9.583,1292 7.833,1293 14.675,1294 10.635,1295 12.604,1296 0.286,1297 0.185,1298 13.383,1299 8.136,1300 10.748,1301 0.189,1302 0.104,1303 11.364,1304 5.937,1305 8.64,1306 0.123,1307 0.06,1308 9.336,1309 4.168,1310 6.373,1311 0.078,1312 0.031,1313 6.731,1314 2.537,1315 0.261,1316 94.433,1317 0.215,1318 28.142,1319 0.422,1320 152,1321 435.388,1322 197.52,1323 479.719,1324 634.73,1325 448,1326 177,1327 418.376,1328 214.255,1329 439.663,1330 645.16,1331 415,1332 7.222}
{0 CHEMBL200966,1 1.64,2 14,3 4.99,4 24.904,5 130.241,6 7.627,7 0.353,8 4.216,9 4.347,10 3.792,11 3.719,12 5.24,13 3.681,14 4.794,15 4.994,16 4.164,17 4.12,18 5.783,19 4.049,20 5.08,21 5.305,22 4.248,23 4.29,24 6.016,25 4.177,26 5.207,27 5.478,28 4.244,29 4.237,30 6.17,31 4.104,32 5.065,33 5.333,34 4.035,35 4.135,36 6.022,37 4.024,38 5.019,39 5.252,40 4.101,41 4.148,42 6.062,43 4.058,44 5.046,45 5.303,46 4.087,47 4.212,48 5.977,49 4.088,50 5.106,51 5.384,52 4.068,53 4.183,54 5.977,55 4.038,56 0.034,57 0.905,58 13.402,59 5.621,60 8.893,61 7.845,62 0.394,63 1.408,64 27.937,65 9.602,66 37.405,67 13.591,68 0.373,69 1.693,70 41.597,71 13.043,72 48.229,73 18.457,74 0.966,75 1.71,76 56.349,77 13.648,78 91.049,79 19.727,80 0.589,81 1.568,82 40.707,83 12.064,84 69.408,85 17.486,86 0.705,87 1.571,88 39.925,89 10.662,90 86.394,91 15.466,92 0.562,93 1.676,94 38.525,95 11.634,96 60.268,97 17.518,98 0.519,99 1.632,100 43.954,101 12.686,102 54.915,103 19.112,104 38,105 46,106 0.266,107 0.587,108 0.815,109 0.881,110 0.881,111 0.881,112 3.502,113 1.032,114 -5.34,115 -5.22,116 -4.88,119 36.5,120 2,121 2,122 2,124 1,125 4,127 1,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 6,165 2,166 7,169 3,171 2,172 9,176 3,180 1,181 4,183 3,186 2,187 6,190 2,192 4,194 5,198 5,201 3,203 1,205 4,209 10,214 2,217 6,220 2,221 6,224 2,226 3,227 3,231 8,236 3,238 3,241 3,242 4,247 1,249 2,252 1896,253 21.085,254 21.085,255 21.085,256 21.085,257 21.085,258 19.402,259 29.213,260 12.498,261 21.779,262 16.756,263 16.756,264 16.756,265 16.756,266 16.756,267 14.201,268 40.709,269 5.948,270 17.978,271 4.337,272 2.356,273 0.949,274 0.544,275 0.544,276 0.544,277 4.181,279 2,283 1,284 938,285 4.183,288 373.284,295 2.188,296 33.049,299 1,300 0.83,301 0.83,302 1,303 1,304 1,305 1,306 0.95,307 69.167,308 448,309 4.234,310 3.722,311 6.13,312 3.888,313 2.903,314 3.881,315 1.907,316 8.955,317 2.859,318 4.072,319 3.289,320 6.06,321 3.791,322 2.862,323 3.669,324 1.151,325 8.714,326 2.628,327 4.011,328 2.956,329 5.847,330 3.65,331 2.706,332 3.155,333 0.8,334 7.996,335 2.595,336 3.653,337 2.807,338 5.588,339 3.553,340 2.612,341 2.788,342 0.4,343 7.68,344 2.414,345 3.476,346 2.739,347 5.005,348 3.129,349 2.185,350 2.686,351 0.149,352 6.002,353 2.054,354 3.344,355 2.697,356 4.989,357 3.044,358 2.157,359 2.563,361 5.857,362 1.886,363 3.274,364 2.42,365 4.933,366 2.923,367 2.031,368 2.296,370 5.737,371 1.751,372 2.849,373 2.02,374 4.171,375 2.409,376 1.481,377 1.981,379 3.768,380 1.391,381 2.692,382 1.87,383 4.12,384 2.374,385 1.427,386 1.776,388 3.574,389 1.252,390 2.513,391 1.456,392 3.691,393 2.234,394 1.281,395 1.484,397 2.86,398 1.213,399 2.267,400 1.291,401 3.503,402 2.138,403 1.175,404 1.248,406 2.618,407 1.125,408 2.108,409 1.235,410 3.459,411 1.989,412 1,413 1.071,415 2.395,416 0.983,417 1.964,418 1.085,419 3.243,420 1.631,421 0.747,422 0.882,424 1.737,425 0.636,426 1.58,427 0.867,428 2.997,429 1.342,430 0.395,431 0.442,433 0.948,434 0.372,435 1.26,436 0.531,437 2.555,438 0.842,444 15.595,445 0.487,446 0.859,447 0.027,448 35.5,449 1.109,450 14.5,451 0.453,452 21,453 0.656,454 34.269,455 1.071,456 36.605,457 0.581,458 26.453,459 0.827,460 6.593,461 0.206,462 8.72,463 0.272,464 0.209,466 0.314,472 0.761,473 1.581,474 0.651,475 1.127,476 0.612,477 1.045,478 0.825,479 1.053,480 0.703,481 0.884,482 0.556,483 0.921,484 1.009,485 1.27,486 0.925,487 1.121,488 0.974,489 1.103,490 1.1,491 0.859,492 0.861,493 0.85,494 1.267,495 0.89,496 1.04,497 0.915,498 0.645,499 0.786,500 1.308,501 0.818,502 1.416,503 1.077,504 0.885,505 0.889,506 1.952,507 0.951,508 0.746,509 1.034,510 0.75,511 0.897,512 0.577,513 0.977,514 0.708,515 1.078,516 0.692,517 0.963,518 0.501,519 0.959,520 7.5,521 0.182,522 3.556,523 1.813,524 1.778,525 0.924,526 0.532,527 0.634,528 0.332,529 0.22,530 15132,531 42059,532 1.993,533 49.2,534 8,535 16,537 1,538 2,539 1,540 3,542 1.742,543 1.846,544 3.748,545 0.239,550 103.337,551 1.64,552 3.622,553 5.028,554 5.433,555 5.433,556 5.433,557 3.246,558 4.328,559 4.973,560 3.952,561 1960.36,562 8.683,563 30460.7,568 376.569,569 1.477,570 4.918,571 0.221,572 0.007,573 0.077,574 0.039,575 0.044,576 0.023,577 0.013,578 0.015,579 0.009,580 0.008,581 0.457,582 0.17,583 0.88,584 0.765,585 171.894,586 -0.038,587 -0.255,588 0.022,589 -0.086,590 -0.026,591 -0.025,592 0.078,593 0.122,594 0.056,595 0.081,596 0.128,597 0.048,598 -0.072,599 -0.209,600 -0.043,601 -0.141,602 -0.048,603 -0.121,604 0.059,605 0.087,606 0.077,607 0.062,608 -0.021,609 0.042,610 -0.009,611 0.05,612 0.089,613 0.111,614 0.006,615 0.122,616 -0.177,617 -0.035,618 -0.071,619 0.017,620 -0.218,621 -0.03,622 0.036,623 0.043,624 -0.01,625 0.01,626 0.075,627 -0.029,628 0.076,629 -0.105,630 0.094,631 -0.04,632 0.123,633 0.008,634 1.546,635 5.757,636 0.563,637 36.125,638 1.003,639 1.137,640 4.109,641 16.884,642 0.656,643 3.555,644 3.85,645 4.025,646 4.19,647 4.369,648 4.304,649 4.304,650 4.382,651 4.443,652 4.511,653 8.249,654 0.612,655 480.49,656 3.555,657 5.081,658 5.894,659 6.742,660 7.569,661 8.415,662 9.247,663 10.092,664 10.926,665 11.77,666 7.9,669 1,671 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 63,705 13,706 1,707 34,709 65,710 23,711 10,712 3,713 3,717 3,718 3,719 2,721 2,724 2,725 1,727 3,729 11,730 12,731 2,733 1,737 1,741 1,747 31,748 7,749 2,750 9,751 2,755 5,760 1,761 2,771 1,776 3,783 1,792 1,796 3,801 3,802 2,805 32,810 6,811 2,812 1,814 3,815 1,824 2,825 3.2,828 1,830 1,832 17.333,833 11.886,834 7.083,835 3.876,836 2.208,837 1.301,838 0.931,839 9.411,840 9.533,841 3.738,842 4.234,843 4.64,844 5.05,845 5.486,846 5.428,847 5.504,848 5.808,849 6.178,850 6.489,851 1,852 46,853 11.864,854 4.909,855 7.71,856 22.827,857 18.427,859 2.21,860 70.722,864 341.362,865 110.583,866 72.717,867 78.297,868 36.145,871 110.583,872 455.804,873 72.717,874 26.047,875 33.989,876 37.905,877 93.202,878 33.358,879 6.714,880 329.591,881 78.297,882 341.362,883 183.3,884 36.145,885 78.297,887 306.049,888 71.458,891 65.711,892 66.007,893 129.879,895 341.362,896 108.862,897 188.88,900 341.362,901 37.584,902 76.124,903 36.022,904 148.013,905 341.362,906 108.862,907 188.88,909 0.581,910 0.324,911 0.161,912 0.089,913 19,914 10,915 0.138,916 9,918 1,919 4.352,920 268.44,922 18,923 158,928 25.034,929 12.031,930 7.751,932 108.862,933 8.599,934 8.681,938 2.824,940 36.022,941 639.104,942 41,946 12.757,950 0.12,952 63.181,953 71.611,954 0.274,955 0.606,956 0.841,957 0.909,958 0.909,959 0.909,960 4.977,961 1.481,962 5.872,963 5.737,964 4.533,965 4.92,966 2.396,967 6.611,968 4.398,969 6.139,970 1.427,971 7.396,972 3.768,973 4.111,974 4.649,975 1.668,976 7.361,977 3.887,978 7.41,979 1.281,980 9.012,981 3.574,982 6.071,983 6.934,984 3.103,985 10.373,986 5.829,987 8.707,988 1.175,989 10.679,990 2.86,991 6.399,992 7.404,993 3.047,994 11.886,995 6.089,996 10.031,997 1,998 12.378,999 2.618,1000 7.852,1001 9.234,1002 4.121,1003 14.404,1004 7.521,1005 11.374,1006 0.747,1007 14.099,1008 2.395,1009 8.531,1010 10.061,1011 4.412,1012 16.249,1013 8.149,1014 12.73,1015 0.395,1016 15.835,1017 1.737,1018 9.764,1019 11.686,1020 5.283,1021 18.57,1022 9.356,1023 2.903,1025 17.582,1026 0.948,1027 10.619,1028 12.712,1029 5.75,1030 20.576,1031 10.17,1032 2.862,1033 8.955,1034 19.338,1036 11.75,1037 14.227,1038 6.514,1039 22.81,1040 11.272,1041 2.706,1042 8.714,1043 21.101,1044 3.881,1045 12.696,1046 15.371,1047 7.068,1048 24.895,1049 12.183,1050 2.612,1051 7.996,1052 22.869,1053 3.669,1054 13.778,1055 16.82,1056 7.776,1057 27.093,1058 13.237,1059 2.185,1060 7.68,1061 24.642,1062 3.155,1063 14.772,1064 18.038,1065 8.374,1066 29.218,1067 14.2,1068 2.157,1069 6.002,1070 26.419,1071 2.788,1072 15.832,1073 19.446,1074 9.053,1075 31.399,1076 15.233,1077 2.031,1078 5.857,1079 28.199,1080 2.686,1081 16.851,1082 20.71,1083 9.674,1084 33.546,1085 16.223,1086 14763,1087 24987,1088 22.076,1089 41.313,1090 50.421,1091 51.907,1092 51.71,1093 50.251,1094 49.925,1095 59.842,1096 8.814,1097 137.679,1098 46.316,1099 5.234,1100 5.722,1101 5.69,1102 4.975,1103 4.903,1104 6.881,1105 3.306,1106 15.284,1107 4.859,1108 18.872,1109 1.483,1110 1.527,1111 1.521,1112 1.478,1113 1.468,1114 1.76,1115 0.259,1116 4.049,1117 1.362,1118 3.962,1119 4.005,1120 4.095,1121 3.885,1122 7.428,1123 3.877,1124 3.898,1125 3.934,1126 3.844,1127 3.759,1128 5.073,1129 3.764,1130 3.828,1131 3.881,1132 3.773,1133 3.656,1134 4.993,1135 3.675,1136 3.724,1137 3.785,1138 3.605,1139 3.577,1140 4.633,1141 3.576,1142 3.394,1143 3.463,1144 3.587,1145 3.167,1146 4.446,1147 3.178,1148 3.295,1149 3.372,1150 3.265,1151 3.081,1152 4.369,1153 3.085,1154 3.214,1155 3.301,1156 3.222,1157 3.03,1158 4.293,1159 3.019,1160 3.183,1161 3.238,1162 3.086,1163 2.993,1164 4.055,1165 2.977,1166 0.125,1167 0.109,1168 0.18,1169 0.114,1170 0.085,1171 4.234,1172 0.114,1173 3.722,1174 0.056,1175 6.13,1176 0.263,1177 3.888,1178 0.084,1179 2.903,1180 3.881,1181 1.907,1182 8.955,1183 2.859,1184 1.895,1185 1.881,1186 2.058,1187 2.05,1188 1.413,1189 2.055,1190 1.861,1191 1.807,1192 1.993,1193 1.999,1194 1.299,1195 1.993,1196 1.776,1197 1.718,1198 1.96,1199 1.947,1200 1.133,1201 1.963,1202 1.695,1203 1.645,1204 1.811,1205 1.877,1206 0.848,1207 1.872,1208 1.344,1209 1.273,1210 1.625,1211 1.606,1212 0.822,1213 1.615,1214 1.258,1215 1.176,1216 1.596,1217 1.522,1218 0.751,1219 1.549,1220 1.211,1221 1.125,1222 1.51,1223 1.459,1224 0.73,1225 1.478,1226 1.151,1227 1.101,1228 1.417,1229 1.371,1230 0.571,1231 1.384,1232 4.234,1233 5.533,1235 7.009,1237 8.564,1239 10.155,1241 6.25,1242 12.137,1247 4.657,1248 6.438,1249 5.769,1251 0.276,1252 2.215,1257 38.567,1258 103.337,1259 228.165,1260 316.794,1261 342.304,1262 342.304,1263 342.304,1264 74.797,1265 7.326,1266 79.38,1267 79.38,1268 18,1269 12.334,1270 3.807,1271 3,1272 61.407,1273 160,1274 154,1275 0.183,1276 247.352,1277 432.1,1278 595.299,1279 16761,1280 3.2,1281 23.087,1282 0.721,1283 0.634,1284 24.087,1285 20.287,1286 15.313,1287 0.45,1288 0.344,1289 10.848,1290 14.15,1291 10.433,1292 8.707,1293 15.89,1294 11.697,1295 13.958,1296 0.303,1297 0.205,1298 14.737,1299 9.428,1300 10.791,1301 0.196,1302 0.113,1303 11.407,1304 6.215,1305 8.374,1306 0.129,1307 0.063,1308 9.07,1309 4.097,1310 6.574,1311 0.084,1312 0.034,1313 6.933,1314 2.681,1315 0.296,1316 102.134,1317 0.213,1318 30.568,1319 0.475,1320 160,1321 467.479,1322 206.371,1323 507.396,1324 662.25,1325 472,1326 181,1327 428.521,1328 218.136,1329 453.113,1330 655.95,1331 423,1332 5.252}
{0 CHEMBL2016602,1 1.913,2 11.267,3 4.387,4 19.246,5 120.804,6 9.667,7 0.636,8 4.007,9 4.08,10 3.947,11 3.65,12 5.15,13 3.6,14 4.52,15 4.629,16 4.37,17 4.051,18 5.868,19 3.978,20 4.687,21 4.821,22 4.344,23 4.099,24 5.903,25 4.032,26 4.788,27 4.949,28 4.32,29 4.069,30 6.065,31 4.009,32 4.781,33 4.968,34 4.318,35 4.045,36 6.038,37 3.985,38 4.714,39 4.876,40 4.237,41 4.081,42 5.941,43 3.996,44 4.749,45 4.911,46 4.247,47 4.09,48 5.988,49 4.003,50 4.728,51 4.891,52 4.163,53 4.068,54 5.945,55 3.95,56 0.18,57 0.714,58 8.451,59 4.775,60 21.754,61 4.546,62 0.532,63 1.14,64 21.914,65 8.625,66 60.696,67 7.919,68 0.461,69 1.354,70 24.195,71 9.887,72 39.754,73 9.787,74 0.721,75 1.455,76 28.18,77 10.22,78 64.345,79 10.507,80 0.845,81 1.433,82 27.664,83 9.919,84 82.448,85 10.406,86 0.673,87 1.38,88 26.897,89 10.185,90 59.265,91 10.274,92 0.692,93 1.342,94 29.023,95 11.18,96 78.71,97 10.861,98 0.697,99 1.282,100 30.828,101 11.588,102 73.922,103 11.181,104 30,105 48,106 0.319,107 0.652,108 0.768,109 0.853,110 0.867,111 0.867,112 3.441,113 1.054,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,159 1,163 9,165 1,166 6,169 3,171 2,172 13,176 10,179 1,181 4,183 5,186 4,187 12,190 1,192 5,194 2,197 2,198 7,203 4,205 7,208 2,209 9,214 2,217 8,221 10,224 1,226 2,227 11,231 8,234 1,236 1,238 9,242 6,247 2,249 9,252 1524,253 20.16,254 20.16,255 20.16,256 20.16,257 20.16,258 17.385,259 25.05,260 11.575,261 20.983,262 16.169,263 16.169,264 16.169,265 16.169,266 16.169,267 11.794,268 32.729,269 5.338,270 17.55,271 3.672,272 1.681,273 0.985,274 0.474,275 0.391,276 0.391,277 4.132,280 1,282 1,283 1,284 725,285 3.808,287 147.102,288 173.506,291 124.897,295 1.684,296 40.395,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 338,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.682,319 3.372,320 6.925,321 4.168,322 3.226,323 4.632,324 0.765,325 11.651,326 2.971,327 4.047,328 2.906,329 5.828,330 3.658,331 2.669,332 3.643,333 0.522,334 8.046,335 2.643,336 3.86,337 2.894,338 5.446,339 3.347,340 2.419,341 3.424,343 7.129,344 2.284,345 3.737,346 2.696,347 5.365,348 3.249,349 2.391,350 3.166,352 6.797,353 2.034,354 3.436,355 2.445,356 5.118,357 3.069,358 2.103,359 2.746,361 6.19,362 1.987,363 3.371,364 2.163,365 5.1,366 2.903,367 1.963,368 2.707,370 5.986,371 1.82,372 2.799,373 1.646,374 4.531,375 2.357,376 1.412,377 1.889,379 4.141,380 1.329,381 2.754,382 1.613,383 4.44,384 2.237,385 1.346,386 1.845,388 3.874,389 1.184,390 2.644,391 1.231,392 3.732,393 2.125,394 1.177,395 1.693,397 2.792,398 1.036,399 2.5,400 1.129,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.179,409 1,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.748,418 0.949,419 3.143,420 1.505,421 0.592,422 0.661,424 1.014,425 0.532,426 1.627,427 0.796,428 3.063,429 1.332,430 0.457,431 0.518,433 0.728,434 0.396,435 1.19,436 0.293,437 2.749,438 0.902,439 -0.038,440 -0.046,442 -0.085,443 -0.036,444 14.914,445 0.497,446 0.851,447 0.028,448 41,449 1.367,450 22,451 0.733,452 19,453 0.633,454 25.009,455 0.834,456 31.886,457 0.664,458 32.622,459 1.087,460 8,461 0.267,462 6.408,463 0.214,464 0.148,465 0.056,466 0.295,472 0.665,473 1.117,474 0.688,475 0.999,476 0.753,477 0.813,478 0.842,479 0.986,480 0.63,481 0.73,482 0.677,483 0.776,484 0.905,485 1.32,486 0.926,487 1.165,488 0.862,489 1.045,490 0.948,491 1.234,492 0.744,493 0.948,494 0.963,495 1.015,496 0.891,497 0.945,498 0.67,499 0.765,500 0.907,501 0.822,502 0.88,503 1.007,504 0.946,505 0.964,506 0.722,507 0.93,508 1.126,509 0.914,510 0.915,511 0.934,512 1.292,513 0.909,514 1.18,515 0.864,516 1.1,517 1.013,518 1.177,519 1.001,520 7.5,521 0.172,522 3.778,523 2.729,524 1.931,525 1.404,526 0.89,527 0.485,528 0.503,529 0.269,530 11039,531 38865,532 2.059,533 37.5,535 16,538 2,542 1.734,543 1.905,544 3.424,545 0.309,547 1,550 91.826,551 1.913,552 3.904,553 4.6,554 5.111,555 5.194,556 5.194,557 2.927,558 4.387,559 4.873,560 3.573,561 1554.41,562 8.535,563 21099.7,568 268.078,569 1.615,570 4.82,571 0.227,572 0.008,573 0.079,574 0.057,575 0.041,576 0.031,577 0.02,578 0.011,579 0.013,580 0.009,581 0.496,582 0.33,583 0.88,584 0.855,585 152.442,586 0.028,587 -0.009,588 0.108,589 -0.019,590 -0.167,591 0.042,592 0.068,593 0.087,594 0.186,595 0.21,596 0.139,597 0.094,598 -0.055,599 -0.265,600 -0.03,601 -0.198,602 -0.042,603 -0.127,604 0.039,605 -0.188,606 0.028,607 -0.089,608 0.002,609 -0.119,610 0.078,611 0.09,612 0.15,613 0.09,614 0.043,615 0.108,616 0.005,617 0.059,618 -0.062,619 0.004,620 0.069,621 0.009,622 -0.117,623 0.079,624 -0.017,625 0.053,626 -0.12,627 0.057,628 -0.154,629 0.106,630 -0.107,631 0.029,632 -0.117,633 -0.004,634 4.769,635 5.823,636 0.667,637 28.227,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.174,646 4.466,647 4.682,648 4.804,649 4.949,650 5.088,651 5.209,652 5.313,653 6.491,654 0.695,655 464,656 3.526,657 5.094,658 5.958,659 6.864,660 7.751,661 8.663,662 9.561,663 10.476,664 11.38,665 12.298,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 17,730 3,733 2,736 1,737 2,744 1,747 18,748 6,749 2,750 10,751 3,755 3,760 0.75,761 4,762 1,769 1,775 2,776 2,779 1,794 1,796 3,799 2,801 1,802 1,805 30,808 1,809 1,810 2,811 1,812 1,820 1,824 1,825 8.3,826 1,828 2,830 1,832 15.75,833 8.826,834 6.569,835 2.528,836 3.573,837 1.464,838 0.994,839 6.135,840 11.279,841 3.839,842 4.533,843 5.128,844 5.756,845 6.246,846 6.589,847 6.982,848 7.415,849 7.766,850 8.141,851 0.875,852 48,853 11.354,854 5.183,855 7.973,856 20.793,857 17.328,859 2.473,860 74.194,863 1,864 188.338,865 155.693,866 34.845,867 39.149,868 97.996,870 37.085,871 118.608,872 325.482,873 34.845,874 10.883,875 2.106,876 133.777,877 77.381,878 28.637,879 43.621,880 219.615,882 188.338,883 153.453,884 97.996,885 76.234,887 188.338,888 55.313,889 42.683,891 5.556,892 114.829,893 38.875,894 70.426,895 188.338,896 132.841,897 194.842,899 5.807,900 188.338,901 53.716,902 97.946,903 16.405,904 153.808,905 188.338,906 132.841,907 194.842,909 0.588,910 0.349,911 0.188,912 0.104,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 4.014,920 276.927,921 0.1,922 20,923 141.207,924 1,927 1,928 21.278,929 8.649,930 4.411,931 1.292,932 131.064,933 15.899,934 4.522,937 0.971,938 2.947,939 1.713,940 59.088,941 516.02,942 45.5,945 -3.853,946 25.647,952 49.16,953 53.438,954 0.343,955 0.699,956 0.824,957 0.915,958 0.93,959 0.93,960 5.089,961 1.412,962 5.989,963 5.986,964 4.575,965 5.22,966 1.433,967 6.87,968 4.434,969 6.354,970 1.346,971 7.597,972 4.141,973 4.369,974 5.338,976 8.08,977 4.129,978 7.721,979 1.177,980 9.316,981 3.874,982 6.279,983 7.606,984 1.074,985 11.145,986 6.011,987 9.132,988 1,989 11.102,990 2.792,991 6.889,992 8.549,994 13.189,995 6.515,996 10.578,997 0.687,998 12.934,999 2.275,1000 8.317,1001 10.337,1002 0.811,1003 15.855,1004 7.911,1005 12.05,1006 0.592,1007 14.799,1008 1.671,1009 9.274,1010 11.629,1012 18.203,1013 8.766,1014 13.542,1015 0.457,1016 16.689,1017 1.014,1018 10.544,1019 13.255,1020 0.612,1021 20.759,1022 9.988,1023 3.431,1024 -0.038,1025 18.597,1026 0.728,1027 11.648,1028 14.695,1030 23.214,1031 10.998,1032 3.226,1033 12.608,1034 20.52,1035 -0.085,1036 12.869,1037 16.266,1038 0.459,1039 25.739,1040 12.158,1041 2.669,1042 11.651,1043 22.455,1044 4.768,1045 14.035,1046 17.769,1048 28.23,1049 13.238,1050 2.419,1051 8.046,1052 24.399,1053 4.632,1054 15.244,1055 19.323,1056 0.342,1057 30.747,1058 14.379,1059 2.391,1060 7.129,1061 26.349,1062 3.643,1063 16.437,1064 20.852,1066 33.254,1067 15.49,1068 2.103,1069 6.797,1070 28.306,1071 3.424,1072 17.646,1073 22.402,1074 0.254,1075 35.769,1076 16.626,1077 1.963,1078 6.19,1079 30.267,1080 3.166,1081 18.851,1082 23.942,1084 38.282,1085 17.753,1086 10658,1087 20254,1088 21.671,1089 35.08,1090 49.927,1091 51.231,1092 51.968,1093 49.838,1094 49.745,1095 68.421,1096 4.293,1097 149.805,1098 45.975,1099 5.73,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.174,1107 5.193,1108 16.052,1109 1.513,1110 1.552,1111 1.575,1112 1.51,1113 1.507,1114 2.073,1115 0.13,1116 4.54,1117 1.393,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.063,1124 3.999,1125 3.966,1126 4.168,1127 3.985,1128 6.999,1129 3.927,1130 3.905,1131 3.927,1132 4.078,1133 3.85,1134 6.457,1135 3.845,1136 3.56,1137 3.556,1138 3.841,1139 3.528,1140 5.048,1141 3.423,1142 3.449,1143 3.486,1144 3.373,1145 3.256,1146 4.885,1147 3.266,1148 3.247,1149 3.306,1150 3.173,1151 3.049,1152 4.701,1153 3.048,1154 3.204,1155 3.25,1156 3.112,1157 2.977,1158 4.589,1159 2.987,1160 2.928,1161 2.988,1162 3.062,1163 2.735,1164 4.26,1165 2.715,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.347,1178 0.097,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.963,1185 1.941,1186 2.063,1187 2.063,1188 1.233,1189 2.063,1190 1.901,1191 1.886,1192 1.986,1193 1.985,1194 1.137,1195 1.995,1196 1.73,1197 1.778,1198 1.629,1199 1.838,1200 0.943,1201 1.882,1202 1.439,1203 1.406,1204 1.605,1205 1.664,1206 0.807,1207 1.654,1208 1.395,1209 1.366,1210 1.558,1211 1.501,1212 0.606,1213 1.527,1214 1.203,1215 1.151,1216 1.386,1217 1.485,1218 0.574,1219 1.511,1220 1.147,1221 1.09,1222 1.294,1223 1.384,1224 0.446,1225 1.383,1226 1.029,1227 0.97,1228 1.181,1229 1.198,1230 0.364,1231 1.229,1232 4.205,1233 5.557,1234 3.045,1235 7.096,1236 5.416,1237 8.72,1238 7.535,1239 10.391,1241 1.525,1242 5.899,1246 9.22,1247 0.392,1248 2.569,1249 5.452,1257 33.34,1258 91.826,1259 187.368,1260 220.794,1261 245.323,1262 249.323,1263 249.323,1264 63.997,1265 7.706,1266 93.45,1267 130.07,1268 22,1269 12.811,1270 4.585,1271 3.755,1272 46.771,1273 114,1274 144,1275 0.2,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.609,1284 22.406,1285 18.26,1286 14.407,1287 0.437,1288 0.351,1289 9.001,1290 12.512,1291 8.551,1292 7.071,1293 15.925,1294 11.592,1295 13.435,1296 0.28,1297 0.211,1298 16.009,1299 10.124,1300 11.199,1301 0.175,1302 0.119,1303 13.589,1304 7.604,1305 9.385,1306 0.109,1307 0.065,1308 11.585,1309 5.594,1310 7.499,1311 0.07,1312 0.039,1313 9.902,1314 4.133,1315 0.308,1316 106.1,1317 0.215,1318 27.997,1319 0.566,1320 162,1321 534.904,1322 266.992,1323 582.54,1324 778.24,1325 538,1326 193,1327 501.936,1328 287.487,1329 570.756,1330 838.29,1331 532,1332 7.31}
{0 CHEMBL2018951,1 1.913,2 10.633,3 4.387,4 19.246,5 120.804,6 9.667,7 0.636,8 4.007,9 4.08,10 3.947,11 3.65,12 5.15,13 3.6,14 4.52,15 4.629,16 4.37,17 4.051,18 5.868,19 3.978,20 4.687,21 4.821,22 4.344,23 4.099,24 5.902,25 4.032,26 4.788,27 4.95,28 4.332,29 4.075,30 6.057,31 4.019,32 4.784,33 4.957,34 4.341,35 4.066,36 6.057,37 4.009,38 4.796,39 4.979,40 4.258,41 4.103,42 6.014,43 4.019,44 4.749,45 4.907,46 4.276,47 4.114,48 6.009,49 4.032,50 4.745,51 4.895,52 4.187,53 4.097,54 5.962,55 3.982,56 0.18,57 0.714,58 8.451,59 4.775,60 21.754,61 4.546,62 0.532,63 1.14,64 21.914,65 8.625,66 60.727,67 7.919,68 0.461,69 1.354,70 24.195,71 9.887,72 39.549,73 9.787,74 0.725,75 1.456,76 28.456,77 10.226,78 66.14,79 10.523,80 0.796,81 1.445,82 25.404,83 9.768,84 77.3,85 10.163,86 0.844,87 1.479,88 31.759,89 11.058,90 73.14,91 11.218,92 0.661,93 1.354,94 28.232,95 11.035,96 78.052,97 10.754,98 0.633,99 1.292,100 29.519,101 11.844,102 68.808,103 11.4,104 30,105 48,106 0.319,107 0.652,108 0.782,109 0.881,110 0.895,111 0.895,112 3.441,113 1.054,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,159 1,163 9,165 1,166 6,169 3,171 2,172 13,176 10,179 1,181 4,183 5,186 4,187 12,190 1,192 5,194 2,197 2,198 7,203 4,205 7,208 2,209 9,212 1,214 2,217 8,221 10,224 1,226 2,227 11,231 8,236 3,238 9,242 6,246 1,247 1,249 9,252 1496,253 20.16,254 20.16,255 20.16,256 20.16,257 20.16,258 17.385,259 25.05,260 11.612,261 20.983,262 16.186,263 16.186,264 16.186,265 16.186,266 16.186,267 11.8,268 34.199,269 5.359,270 17.567,271 3.672,272 1.681,273 0.902,274 0.307,275 0.224,276 0.224,277 4.132,280 1,282 1,283 1,284 684,285 3.808,287 144.877,288 172.116,291 122.55,295 1.591,296 40.76,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 319,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.683,319 3.372,320 6.925,321 4.168,322 3.227,323 4.632,324 0.765,325 11.652,326 2.971,327 4.078,328 2.941,329 5.838,330 3.693,331 2.703,332 3.677,333 0.522,334 8.144,335 2.678,336 3.86,337 2.896,338 5.537,339 3.324,340 2.418,341 3.424,343 7.355,344 2.249,345 3.726,346 2.675,347 5.365,348 3.249,349 2.375,350 3.158,352 6.797,353 2.003,354 3.391,355 2.398,356 5.116,357 2.996,358 2.038,359 2.735,361 6.01,362 1.948,363 3.317,364 2.148,365 4.973,366 2.895,367 1.943,368 2.581,370 5.779,371 1.819,372 2.8,373 1.646,374 4.517,375 2.372,376 1.419,377 1.892,379 4.108,380 1.347,381 2.774,382 1.613,383 4.439,384 2.239,385 1.349,386 1.874,388 3.874,389 1.185,390 2.659,391 1.307,392 3.732,393 2.177,394 1.187,395 1.73,397 2.796,398 1.173,399 2.63,400 1.216,401 3.495,402 2.125,403 1.176,404 1.675,406 2.615,407 1.035,408 2.179,409 0.953,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.64,418 0.935,419 3.143,420 1.345,421 0.471,422 0.532,424 0.77,425 0.407,426 1.584,427 0.796,428 3.002,429 1.321,430 0.429,431 0.481,433 0.625,434 0.377,435 1.229,436 0.244,437 2.71,438 0.922,439 -0.045,440 -0.055,442 -0.128,443 -0.043,444 14.914,445 0.497,446 0.851,447 0.028,448 41,449 1.367,450 22,451 0.733,452 19,453 0.633,454 25.175,455 0.839,456 31.886,457 0.664,458 32.737,459 1.091,460 8,461 0.267,462 6.408,463 0.214,464 0.148,465 0.056,466 0.295,472 0.665,473 1.117,474 0.688,475 0.999,476 0.753,477 0.813,478 0.842,479 0.986,480 0.63,481 0.73,482 0.677,483 0.776,484 0.905,485 1.32,486 0.926,487 1.165,488 0.864,489 1.045,490 0.945,491 1.205,492 0.728,493 0.92,494 0.962,495 0.976,496 0.876,497 1.073,498 0.692,499 0.86,500 0.897,501 0.928,502 0.959,503 0.863,504 0.903,505 0.83,506 0.819,507 0.816,508 1.083,509 0.89,510 0.901,511 0.93,512 1.224,513 0.893,514 1.191,515 1.003,516 1.104,517 1.111,518 1.209,519 1.103,520 7.5,521 0.189,522 3.556,523 2.979,524 1.851,525 1.404,526 0.851,527 0.528,528 0.483,529 0.28,530 10839,531 38113,532 2.059,533 37.5,535 16,538 2,542 1.735,543 1.905,544 3.372,545 0.309,547 1,550 91.826,551 1.913,552 3.904,553 4.683,554 5.278,555 5.361,556 5.361,557 2.87,558 4.574,559 4.876,560 3.517,561 1529.9,562 8.545,563 20746.6,568 268.078,569 1.615,570 4.82,571 0.227,572 0.009,573 0.074,574 0.062,575 0.039,576 0.031,577 0.018,578 0.011,579 0.012,580 0.009,581 0.492,582 0.33,583 0.88,584 0.855,585 151.951,586 0.028,587 -0.009,588 0.108,589 -0.019,590 -0.167,591 0.042,592 0.068,593 0.087,594 0.186,595 0.21,596 0.139,597 0.094,598 -0.055,599 -0.265,600 -0.03,601 -0.198,602 -0.044,603 -0.127,604 0.041,605 -0.159,606 0.044,607 -0.061,608 0.004,609 -0.08,610 0.08,611 -0.032,612 0.101,613 -0.018,614 0.043,615 -0.02,616 -0.002,617 0.194,618 -0.008,619 0.13,620 0.045,621 0.14,622 -0.106,623 0.116,624 -0.018,625 0.05,626 -0.086,627 0.063,628 -0.174,629 -0.054,630 -0.137,631 -0.076,632 -0.138,633 -0.114,634 4.776,635 5.832,636 0.667,637 27.151,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.174,646 4.477,647 4.682,648 4.804,649 4.956,650 5.094,651 5.22,652 5.313,653 6.338,654 0.695,655 464,656 3.526,657 5.094,658 5.958,659 6.866,660 7.753,661 8.666,662 9.564,663 10.481,664 11.385,665 12.304,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 17,730 3,733 2,736 1,737 2,744 1,747 18,748 6,749 2,750 10,751 3,755 3,760 0.75,761 4,762 1,769 1,775 2,776 2,779 1,794 1,796 3,799 2,801 1,802 1,805 30,808 1,809 1,810 2,811 1,812 1,820 1,824 1,825 8.3,826 1,828 2,830 1,832 15.75,833 8.826,834 6.569,835 2.528,836 3.589,837 1.466,838 0.994,839 6.135,840 11.296,841 3.839,842 4.533,843 5.128,844 5.763,845 6.241,846 6.589,847 6.987,848 7.418,849 7.77,850 8.133,851 1,852 48,853 11.36,854 5.19,855 7.973,856 20.793,857 17.328,859 2.473,860 74.194,863 1,864 188.338,865 155.693,866 34.845,867 39.149,868 97.996,870 37.085,871 118.608,872 325.482,873 34.845,874 10.883,875 2.106,876 133.777,877 77.381,878 28.637,879 43.621,880 219.615,882 188.338,883 153.453,884 97.996,885 76.234,887 188.338,888 55.313,889 42.683,891 5.556,892 114.829,893 38.875,894 70.426,895 188.338,896 132.841,897 194.842,899 5.807,900 188.338,901 53.716,902 97.946,903 16.405,904 153.808,905 188.338,906 132.841,907 194.842,909 0.587,910 0.349,911 0.191,912 0.105,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 3.991,920 278.325,921 0.1,922 20,923 145.207,924 1,927 1,928 21.278,929 8.649,930 4.411,931 1.273,932 131.064,933 15.895,934 4.522,937 0.968,938 2.869,939 1.702,940 59.088,941 516.02,942 45.5,945 -3.86,946 25.664,952 49.16,953 53.438,954 0.343,955 0.699,956 0.839,957 0.945,958 0.96,959 0.96,960 5.089,961 1.419,962 5.989,963 5.779,964 4.575,965 5.22,966 1.433,967 6.872,968 4.434,969 6.354,970 1.349,971 7.597,972 4.108,973 4.369,974 5.338,976 8.08,977 4.129,978 7.721,979 1.187,980 9.316,981 3.874,982 6.279,983 7.606,984 1.074,985 11.151,986 6.011,987 9.132,988 1.176,989 11.103,990 2.796,991 6.889,992 8.549,994 13.192,995 6.515,996 10.579,997 0.687,998 12.936,999 2.615,1000 8.318,1001 10.338,1002 0.811,1003 15.86,1004 7.913,1005 12.051,1006 0.471,1007 14.801,1008 1.671,1009 9.276,1010 11.63,1012 18.206,1013 8.77,1014 13.543,1015 0.429,1016 16.691,1017 0.77,1018 10.547,1019 13.257,1020 0.612,1021 20.762,1022 9.994,1023 3.431,1024 -0.045,1025 18.6,1026 0.625,1027 11.652,1028 14.698,1030 23.216,1031 11.005,1032 3.227,1033 12.608,1034 20.523,1035 -0.128,1036 12.873,1037 16.269,1038 0.459,1039 25.74,1040 12.167,1041 2.703,1042 11.652,1043 22.458,1044 4.768,1045 14.039,1046 17.771,1048 28.232,1049 13.247,1050 2.418,1051 8.144,1052 24.401,1053 4.632,1054 15.249,1055 19.325,1056 0.342,1057 30.748,1058 14.388,1059 2.375,1060 7.355,1061 26.352,1062 3.677,1063 16.441,1064 20.854,1066 33.254,1067 15.499,1068 2.038,1069 6.797,1070 28.308,1071 3.424,1072 17.65,1073 22.403,1074 0.254,1075 35.77,1076 16.635,1077 1.943,1078 6.01,1079 30.269,1080 3.158,1081 18.855,1082 23.944,1084 38.283,1085 17.762,1086 10470,1087 19890,1088 21.671,1089 35.08,1090 49.799,1091 51.321,1092 51.92,1093 49.742,1094 49.704,1095 68.355,1096 4.293,1097 149.607,1098 45.929,1099 5.73,1100 6.689,1101 6.914,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.175,1107 5.193,1108 15.959,1109 1.509,1110 1.555,1111 1.573,1112 1.507,1113 1.506,1114 2.071,1115 0.13,1116 4.534,1117 1.392,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.063,1124 3.999,1125 3.967,1126 4.168,1127 3.985,1128 6.999,1129 3.927,1130 3.905,1131 3.927,1132 4.078,1133 3.85,1134 6.457,1135 3.845,1136 3.56,1137 3.555,1138 3.842,1139 3.528,1140 5.048,1141 3.423,1142 3.439,1143 3.477,1144 3.366,1145 3.24,1146 4.885,1147 3.251,1148 3.244,1149 3.303,1150 3.171,1151 3.042,1152 4.702,1153 3.041,1154 3.21,1155 3.262,1156 3.099,1157 2.982,1158 4.591,1159 2.99,1160 3.022,1161 3.075,1162 3.063,1163 2.875,1164 4.26,1165 2.863,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.347,1178 0.097,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.963,1185 1.941,1186 2.063,1187 2.063,1188 1.237,1189 2.063,1190 1.901,1191 1.886,1192 1.985,1193 1.985,1194 1.137,1195 1.995,1196 1.729,1197 1.778,1198 1.623,1199 1.837,1200 0.942,1201 1.882,1202 1.432,1203 1.406,1204 1.601,1205 1.657,1206 0.785,1207 1.646,1208 1.388,1209 1.351,1210 1.553,1211 1.501,1212 0.606,1213 1.527,1214 1.201,1215 1.148,1216 1.425,1217 1.481,1218 0.575,1219 1.508,1220 1.154,1221 1.09,1222 1.334,1223 1.411,1224 0.507,1225 1.418,1226 1.095,1227 1.046,1228 1.078,1229 1.22,1230 0.367,1231 1.252,1232 4.205,1233 5.557,1234 3.045,1235 7.096,1236 5.416,1237 8.721,1238 7.535,1239 10.394,1241 1.522,1242 5.9,1246 9.386,1247 0.333,1248 2.566,1249 5.453,1257 33.34,1258 91.826,1259 187.368,1260 224.794,1261 253.323,1262 257.323,1263 257.323,1264 64.397,1265 7.706,1266 93.45,1267 130.07,1268 22,1269 12.816,1270 4.585,1271 3.755,1272 46.7,1273 112,1274 124,1275 0.203,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.609,1284 22.406,1285 18.26,1286 14.407,1287 0.437,1288 0.351,1289 9.001,1290 12.512,1291 8.55,1292 7.072,1293 15.925,1294 11.592,1295 13.447,1296 0.28,1297 0.211,1298 16.021,1299 10.127,1300 11.124,1301 0.174,1302 0.118,1303 13.514,1304 7.572,1305 9.497,1306 0.109,1307 0.065,1308 11.696,1309 5.671,1310 7.532,1311 0.07,1312 0.038,1313 9.936,1314 4.116,1315 0.312,1316 106.1,1317 0.215,1318 27.878,1319 0.583,1320 162,1321 534.904,1322 266.992,1323 582.605,1324 778.26,1325 538,1326 193,1327 501.936,1328 287.487,1329 570.89,1330 838.51,1331 532,1332 7.445}
{0 CHEMBL2018952,1 1.962,2 10.742,3 3.994,4 15.95,5 122.569,6 9.938,7 0.618,8 4.011,9 4.089,10 3.968,11 3.654,12 5.199,13 3.612,14 4.512,15 4.617,16 4.401,17 4.055,18 5.933,19 3.991,20 4.689,21 4.813,22 4.373,23 4.101,24 5.972,25 4.049,26 4.78,27 4.931,28 4.362,29 4.082,30 6.106,31 4.039,32 4.797,33 4.969,34 4.37,35 4.079,36 6.103,37 4.03,38 4.795,39 4.968,40 4.28,41 4.114,42 6.062,43 4.036,44 4.768,45 4.931,46 4.307,47 4.121,48 6.057,49 4.047,50 4.743,51 4.89,52 4.234,53 4.101,54 6.016,55 4.004,56 0.191,57 0.743,58 7.563,59 4.538,60 22.34,61 4.128,62 0.549,63 1.154,64 20.251,65 8.33,66 65.091,67 7.525,68 0.543,69 1.364,70 22.533,71 9.595,72 51.848,73 8.787,74 0.765,75 1.469,76 25.737,77 9.69,78 72.433,79 9.352,80 0.852,81 1.475,82 24.484,83 9.705,84 84.808,85 9.731,86 0.887,87 1.498,88 29.147,89 10.714,90 80.38,91 10.352,92 0.739,93 1.392,94 28.844,95 11.235,96 88.299,97 10.847,98 0.702,99 1.314,100 28.526,101 11.498,102 76.166,103 10.588,104 41,105 50,106 0.326,107 0.668,108 0.786,109 0.885,110 0.892,111 0.892,112 3.472,113 1.029,114 -3.77,115 -3.74,116 -3.55,119 41.7,124 1,125 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,156 1,157 1,158 1,159 1,163 9,165 1,166 7,168 1,169 4,171 2,172 13,174 1,176 12,179 1,181 4,183 5,185 2,186 4,187 14,190 1,192 5,194 2,196 2,197 2,198 8,203 4,205 7,207 1,208 3,209 9,211 1,212 1,214 2,217 8,220 1,221 10,223 1,224 1,226 2,227 11,231 10,236 3,238 9,240 2,242 7,245 1,246 1,247 1,248 1,249 9,251 1,252 1612,253 20.496,254 20.496,255 20.496,256 20.496,257 20.496,258 17.577,259 23.158,260 11.752,261 21.279,262 16.726,263 16.726,264 16.726,265 16.726,266 16.726,267 12.141,268 29.686,269 5.484,270 18.03,271 3.623,272 1.571,273 0.86,274 0.266,275 0.224,276 0.224,277 4.161,280 1,282 1,283 1,284 711,285 4.062,287 150.547,288 179.721,291 127.686,295 1.638,296 45.615,299 1,300 0.83,301 1,302 0.4,304 0.83,305 1,306 0.72,307 68.333,308 333,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.98,316 12.608,317 3.193,318 4.683,319 3.505,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.196,328 3.37,329 5.988,330 3.824,331 2.819,332 3.794,333 0.522,334 8.539,335 2.829,336 3.86,337 2.896,338 5.8,339 3.419,340 2.455,341 3.424,343 7.842,344 2.373,345 3.781,346 2.846,347 5.365,348 3.249,349 2.416,350 3.19,352 6.797,353 2.085,354 3.542,355 2.526,356 5.213,357 3.13,358 2.159,359 2.876,361 6.364,362 1.993,363 3.379,364 2.202,365 5.116,366 2.907,367 1.97,368 2.731,370 5.991,371 1.822,372 2.885,373 1.885,374 4.54,375 2.454,376 1.478,377 1.998,379 4.173,380 1.437,381 2.797,382 1.613,383 4.441,384 2.256,385 1.356,386 1.887,388 3.874,389 1.232,390 2.696,391 1.569,392 3.788,393 2.226,394 1.254,395 1.771,397 2.99,398 1.184,399 2.639,400 1.227,401 3.704,402 2.125,403 1.176,404 1.682,406 2.777,407 1.035,408 2.53,409 1.172,410 3.436,411 2.016,412 1,413 1.475,415 2.323,416 1.01,417 2.179,418 0.953,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.64,427 0.796,428 3.143,429 1.343,430 0.469,431 0.531,433 0.768,434 0.406,435 1.232,436 0.244,437 2.985,438 0.923,439 -0.045,440 -0.055,442 -0.128,443 -0.043,444 15.314,445 0.494,446 0.978,447 0.032,448 43.25,449 1.395,450 23.5,451 0.758,452 19.75,453 0.637,454 25.533,455 0.824,456 32.686,457 0.681,458 35.736,459 1.153,460 8.469,461 0.273,462 6.311,463 0.204,464 0.171,465 0.054,466 0.32,472 0.628,473 1.087,474 0.683,475 0.978,476 0.693,477 0.779,478 0.728,479 0.984,480 0.601,481 0.742,482 0.537,483 0.768,484 1.023,485 1.301,486 0.959,487 1.165,488 0.98,489 1.045,490 0.994,491 1.216,492 0.762,493 0.942,494 1.003,495 1.008,496 0.884,497 1.056,498 0.694,499 0.853,500 0.883,501 0.923,502 0.969,503 0.87,504 0.954,505 0.883,506 0.872,507 0.899,508 1.036,509 0.841,510 0.875,511 0.906,512 1.094,513 0.858,514 1.218,515 0.992,516 1.106,517 1.09,518 1.17,519 1.062,520 8,521 0.25,522 4,523 3.104,524 1.971,525 1.466,526 0.892,527 0.559,528 0.564,529 0.319,530 11804,531 43907,532 2.038,533 35.4,535 14,538 3,542 1.743,543 1.869,544 3.4,545 0.972,547 1,550 94.153,551 1.962,552 4.014,553 4.725,554 5.319,555 5.361,556 5.361,557 2.894,558 4.632,559 4.924,560 3.56,561 1655.44,562 8.638,563 23030.2,568 268.078,569 1.663,570 4.859,571 0.235,572 0.01,573 0.08,574 0.062,575 0.039,576 0.031,577 0.019,578 0.012,579 0.013,580 0.009,581 0.51,582 0.33,583 0.88,584 0.873,585 158.911,586 0.018,587 0.039,588 0.102,589 -0.009,590 -0.157,591 0.056,592 0.139,593 0.082,594 0.21,595 0.2,596 0.213,597 0.099,598 -0.116,599 -0.261,600 -0.064,601 -0.193,602 -0.09,603 -0.139,604 -0.007,605 -0.171,606 0.002,607 -0.085,608 -0.045,609 -0.126,610 0.06,611 -0.035,612 0.106,613 -0.004,614 0.018,616 -0.02,617 0.175,618 -0.064,619 0.079,620 -0.006,621 0.055,622 -0.072,623 0.139,624 0.027,625 0.087,626 -0.05,627 0.13,628 -0.195,629 -0.043,630 -0.13,631 -0.047,632 -0.14,633 -0.066,634 4.812,635 5.845,636 0.645,637 28.71,638 1.029,639 1.115,640 2.543,641 6.469,642 0.736,643 3.555,644 3.932,645 4.205,646 4.5,647 4.71,648 4.828,649 4.99,650 5.118,651 5.257,652 5.366,653 6.518,654 0.705,655 477,656 3.555,657 5.13,658 5.994,659 6.903,660 7.79,661 8.703,662 9.601,663 10.516,664 11.42,665 12.338,666 8.3,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,691 1,701 1,702 1,703 48,705 24,706 2,707 34,709 51,710 20,711 17,712 5,713 7,714 1,717 4,718 5,719 1,729 18,730 2,733 3,736 1,737 3,741 1,747 17,748 7,749 3,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 1,802 1,805 31,806 1,808 1,810 1,811 1,812 1,820 1,824 1,825 8.3,828 3,830 1,832 16.583,833 8.876,834 6.681,835 2.491,836 3.706,837 1.476,838 1.019,839 6.145,840 11.491,841 3.882,842 4.575,843 5.163,844 5.791,845 6.276,846 6.623,847 7.035,848 7.442,849 7.812,850 8.197,851 1,852 50,853 11.729,854 5.395,855 8.06,856 21.22,857 17.642,859 2.56,860 79.361,864 164.795,865 160.398,866 67.742,867 39.149,868 80.458,870 37.085,871 123.313,872 284.402,873 67.742,874 10.883,875 35.003,876 91.094,877 107.231,878 28.637,879 43.621,880 196.073,882 164.795,883 191.054,884 80.458,885 76.234,887 164.795,888 80.458,891 38.453,892 119.534,893 38.875,894 70.426,895 164.795,896 148.2,897 199.546,899 5.807,900 164.795,901 58.421,902 97.946,903 16.405,904 169.167,905 164.795,906 148.2,907 199.546,909 0.594,910 0.347,911 0.187,912 0.103,913 25,914 12,915 0.137,916 7,917 1,918 1.1,919 4.042,920 291.231,921 0.1,922 20,923 151.58,924 1,927 1,928 21.928,929 8.687,930 4.514,931 1.174,932 146.423,933 15.13,934 4.487,937 0.948,938 2.191,939 1.636,940 49.302,941 512.541,942 47.5,945 -3.895,946 37.186,950 -0.531,952 49.378,953 53.521,954 0.351,955 0.719,956 0.846,957 0.952,958 0.96,959 0.96,960 5.137,961 1.478,962 6.033,963 5.991,964 4.615,965 5.263,966 1.598,967 6.919,968 4.489,969 6.408,970 1.356,971 7.646,972 4.173,973 4.443,974 5.394,976 8.125,977 4.229,978 7.776,979 1.254,980 9.369,981 3.874,982 6.323,983 7.642,984 1.407,985 11.193,986 6.081,987 9.187,988 1.176,989 11.158,990 2.99,991 6.948,992 8.588,994 13.225,995 6.612,996 10.631,997 1,998 12.99,999 2.777,1000 8.365,1001 10.368,1002 1.286,1003 15.889,1004 7.997,1005 12.101,1006 0.687,1007 14.854,1008 2.323,1009 9.326,1010 11.659,1012 18.227,1013 8.865,1014 13.591,1015 0.469,1016 16.741,1017 1.671,1018 10.59,1019 13.28,1020 1.196,1021 20.779,1022 10.082,1023 3.431,1024 -0.045,1025 18.646,1026 0.768,1027 11.693,1028 14.718,1030 23.227,1031 11.097,1032 3.227,1033 12.608,1034 20.565,1035 -0.128,1036 12.909,1037 16.286,1038 1.124,1039 25.749,1040 12.253,1041 2.819,1042 11.652,1043 22.496,1044 4.768,1045 14.072,1046 17.786,1048 28.238,1049 13.332,1050 2.455,1051 8.539,1052 24.435,1053 4.632,1054 15.277,1055 19.338,1056 1.063,1057 30.752,1058 14.468,1059 2.416,1060 7.842,1061 26.381,1062 3.794,1063 16.466,1064 20.865,1066 33.257,1067 15.576,1068 2.159,1069 6.797,1070 28.334,1071 3.424,1072 17.672,1073 22.413,1074 1.01,1075 35.772,1076 16.708,1077 1.97,1078 6.364,1079 30.291,1080 3.19,1081 18.874,1082 23.952,1084 38.284,1085 17.831,1086 11439,1087 22299,1088 22.076,1089 35.324,1090 52.262,1091 53.839,1092 53.862,1093 51.862,1094 51.795,1095 71.554,1096 4.723,1097 156.741,1098 48.3,1099 5.73,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 1.96,1106 20.175,1107 5.193,1108 17.959,1109 1.537,1110 1.583,1111 1.584,1112 1.525,1113 1.523,1114 2.105,1115 0.139,1116 4.61,1117 1.421,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.967,1126 4.168,1127 3.985,1128 7.437,1129 3.927,1130 3.912,1131 3.931,1132 4.079,1133 3.852,1134 6.999,1135 3.85,1136 3.56,1137 3.557,1138 3.86,1139 3.528,1140 5.049,1141 3.423,1142 3.456,1143 3.492,1144 3.39,1145 3.247,1146 4.9,1147 3.266,1148 3.314,1149 3.365,1150 3.244,1151 3.074,1152 4.884,1153 3.1,1154 3.22,1155 3.285,1156 3.166,1157 2.986,1158 4.673,1159 2.993,1160 3.029,1161 3.082,1162 3.064,1163 2.882,1164 4.583,1165 2.873,1166 0.144,1167 0.138,1168 0.215,1169 0.128,1170 0.101,1171 4.882,1172 0.14,1173 4.689,1174 0.029,1175 7.322,1176 0.371,1177 4.347,1178 0.094,1179 3.431,1180 4.768,1181 0.98,1182 12.608,1183 3.193,1184 1.962,1185 1.941,1186 2.054,1187 2.064,1188 1.222,1189 2.061,1190 1.9,1191 1.886,1192 1.981,1193 1.986,1194 1.12,1195 1.993,1196 1.729,1197 1.778,1198 1.618,1199 1.838,1200 0.94,1201 1.881,1202 1.432,1203 1.406,1204 1.594,1205 1.665,1206 0.718,1207 1.647,1208 1.389,1209 1.355,1210 1.54,1211 1.522,1212 0.605,1213 1.527,1214 1.211,1215 1.166,1216 1.384,1217 1.5,1218 0.571,1219 1.515,1220 1.161,1221 1.091,1222 1.332,1223 1.439,1224 0.368,1225 1.449,1226 1.102,1227 1.057,1228 1.084,1229 1.221,1230 0.249,1231 1.253,1232 4.234,1233 5.595,1234 3.045,1235 7.136,1236 5.416,1237 8.762,1238 7.535,1239 10.436,1241 1.5,1242 5.895,1245 5.372,1247 0.289,1248 2.539,1249 5.439,1257 33.834,1258 94.153,1259 192.655,1260 226.794,1261 255.323,1262 257.323,1263 257.323,1264 71.467,1265 7.784,1266 116.31,1267 152.93,1268 22,1269 12.851,1270 4.644,1271 3.858,1272 49.093,1273 120,1274 120,1275 0.201,1276 217.527,1277 366.51,1278 522.525,1279 24578,1280 2.1,1281 22.173,1282 0.715,1283 0.6,1284 23.277,1285 18.591,1286 14.78,1287 0.435,1288 0.343,1289 9.072,1290 12.857,1291 8.628,1292 7.138,1293 16.298,1294 11.665,1295 14.177,1296 0.284,1297 0.204,1298 16.751,1299 10.214,1300 11.421,1301 0.173,1302 0.115,1303 13.812,1304 7.61,1305 9.662,1306 0.109,1307 0.064,1308 11.861,1309 5.667,1310 7.73,1311 0.07,1312 0.038,1313 10.133,1314 4.136,1315 0.309,1316 108.495,1317 0.213,1318 28.662,1319 0.572,1320 168,1321 571.802,1322 274.794,1323 619.971,1324 825.38,1325 570,1326 200,1327 538.902,1328 295.651,1329 607.063,1330 889.45,1331 566,1332 7.33}
{0 CHEMBL2018953,1 1.667,2 13.647,3 4.223,4 17.833,5 134.675,6 8.205,7 0.447,8 4.222,9 4.35,10 3.875,11 3.759,12 5.254,13 3.738,14 4.802,15 4.992,16 4.273,17 4.184,18 5.812,19 4.132,20 5.104,21 5.333,22 4.381,23 4.346,24 6.072,25 4.26,26 5.127,27 5.364,28 4.363,29 4.27,30 6.177,31 4.18,32 5.037,33 5.281,34 4.143,35 4.192,36 6.013,37 4.112,38 5.012,39 5.25,40 4.169,41 4.242,42 5.925,43 4.146,44 5.062,45 5.313,46 4.188,47 4.289,48 5.965,49 4.163,50 5.042,51 5.311,52 4.226,53 4.203,54 5.961,55 4.081,56 0.054,57 0.96,58 11.326,59 5.07,60 6.54,61 6.863,62 0.386,63 1.566,64 24.584,65 8.882,66 27.252,67 12.303,68 0.506,69 1.878,70 40.875,71 12.761,72 45.154,73 17.827,74 0.817,75 1.833,76 48.528,77 12.356,78 82.859,79 16.842,80 0.692,81 1.736,82 37.829,83 10.763,84 68.39,85 15.087,86 0.567,87 1.747,88 36.309,89 10.83,90 46.265,91 15.532,92 0.497,93 1.77,94 38.212,95 13.027,96 50.41,97 18.619,98 0.566,99 1.635,100 42.035,101 12.586,102 50.373,103 18.298,104 10,105 53,106 0.268,107 0.593,108 0.763,109 0.853,110 0.875,111 0.875,112 3.561,113 0.98,114 -5.45,115 -5.33,116 -4.98,119 39.3,121 3,125 6,127 1,138 5,139 2,140 2,141 1,143 1,145 1,146 1,151 1,163 6,165 5,166 4,169 1,171 4,172 9,175 1,176 5,179 2,181 3,183 3,186 2,187 6,190 3,192 4,194 4,197 3,198 4,205 2,209 8,212 1,214 1,217 5,220 3,221 5,224 1,227 4,231 14,234 2,238 4,241 1,242 5,245 1,249 1,252 2228,253 23.292,254 23.292,255 23.292,256 23.292,257 23.292,258 21.123,259 29.674,260 13.763,261 24.032,262 18.759,263 18.759,264 18.759,265 18.759,266 18.759,267 15.406,268 43.148,269 6.547,270 20.059,271 4.263,272 2.245,273 1.186,274 0.623,275 0.492,276 0.492,277 4.27,279 2,284 1020,285 3.162,288 511.876,292 160.071,295 2.176,296 33.752,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 73.167,308 464,309 4.548,310 3.836,311 6.567,312 4.068,313 3.124,314 4.478,315 1.985,316 10.461,317 2.957,318 4.228,319 3.281,320 6.393,321 3.94,322 2.97,323 3.879,324 0.8,325 9.677,326 2.875,327 4.118,328 3.214,329 6.073,330 3.783,331 2.85,332 3.295,333 0.657,334 8.785,335 2.628,336 3.877,337 2.918,338 6.054,339 3.6,340 2.667,341 3.205,342 0.624,343 8.693,344 2.477,345 3.529,346 2.748,347 5.241,348 3.141,349 2.202,350 2.9,351 0.375,352 6.375,353 2.064,354 3.432,355 2.479,356 5.227,357 3.079,358 2.178,359 2.76,361 6.344,362 1.952,363 3.255,364 2.284,365 4.956,366 2.942,367 2.049,368 2.303,370 5.793,371 1.758,372 2.972,373 2.183,374 4.495,375 2.623,376 1.654,377 2.131,379 4.438,380 1.598,381 2.853,382 1.97,383 4.185,384 2.433,385 1.485,386 1.984,388 3.794,389 1.417,390 2.778,391 1.637,392 3.92,393 2.38,394 1.457,395 1.824,397 3.294,398 1.252,399 2.55,400 1.433,401 3.785,402 2.241,403 1.29,404 1.549,406 2.968,407 1.221,408 2.369,409 1.343,410 3.604,411 2.031,412 1.09,413 1.35,415 2.738,416 1.019,417 2.055,418 1.218,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 2,427 1.162,428 3.328,429 1.959,430 1,431 1,433 2.136,434 0.956,435 2,436 1.146,437 3.247,438 1.74,439 0.732,440 0.872,442 1.796,443 0.725,444 16.562,445 0.487,446 0.763,447 0.022,448 42.25,449 1.243,450 18.5,451 0.544,452 23.75,453 0.699,454 33.017,455 0.971,456 36.838,457 0.604,458 31.864,459 0.937,460 7.929,461 0.233,462 8.652,463 0.254,464 0.106,466 0.32,472 0.749,473 1.548,474 0.594,475 1.025,476 0.546,477 0.935,478 0.786,479 1.083,480 0.698,481 0.878,482 0.558,483 0.916,484 0.95,485 1.144,486 0.844,487 0.966,488 0.866,489 0.948,490 1.311,491 1.01,492 0.944,493 0.952,494 1.64,495 0.982,496 1.334,497 0.959,498 0.828,499 0.796,500 1.613,501 0.887,502 0.988,503 1.003,504 0.857,505 0.931,506 0.79,507 0.999,508 0.608,509 0.999,510 0.717,511 0.936,512 0.458,513 0.983,514 0.57,515 0.961,516 0.676,517 0.898,518 0.481,519 0.866,520 6,521 0.231,522 4.222,523 2.125,524 1.773,525 1.021,526 0.585,527 0.563,528 0.442,529 0.325,530 18098,531 49869,532 2.145,533 44.3,534 2,535 18,537 1,538 2,540 4,542 1.761,543 2.04,544 3.708,545 0.235,550 101.702,551 1.667,552 3.686,553 4.745,554 5.308,555 5.439,556 5.439,557 3.22,558 4.536,559 5.056,560 3.885,561 2179.38,562 8.871,563 33709.9,568 361.775,569 1.286,570 5.033,571 0.158,572 0.007,573 0.08,574 0.038,575 0.036,576 0.022,577 0.013,578 0.012,579 0.01,580 0.008,581 0.384,582 0.17,583 0.63,584 0.459,585 183.175,586 -0.055,587 -0.292,588 0.026,589 -0.075,590 0.002,591 -0.011,592 0.062,593 0.089,594 0.019,595 0.035,596 0.075,597 -0.001,598 -0.008,599 -0.119,600 0.031,601 -0.014,602 0.033,603 0.014,604 -0.062,605 -0.009,606 -0.001,607 -0.027,608 -0.134,609 -0.054,610 -0.185,611 0.065,612 -0.061,613 0.092,614 -0.221,615 0.029,616 -0.112,617 0.057,618 -0.08,619 -0.017,620 -0.057,621 -0.059,622 0.108,623 -0.01,624 0.061,625 0.024,626 0.142,627 0.014,628 0.22,629 -0.026,630 0.216,631 0.074,632 0.179,633 0.144,634 1.456,635 5.868,636 0.824,637 41.149,638 1.007,639 1.134,640 4.224,641 17.841,642 0.682,643 3.664,644 3.989,645 4.277,646 4.522,647 4.779,648 4.844,649 5.004,650 5.159,651 5.333,652 5.46,653 7.863,654 0.644,655 500.48,656 3.664,657 5.209,658 6.066,659 6.94,660 7.81,661 8.689,662 9.564,663 10.445,664 11.324,665 12.207,666 11.5,668 1,671 1,672 1,673 1,676 3,680 2,681 6,682 3,686 5,688 17,697 1,699 1,702 2,703 61,705 18,706 1,707 38,709 65,710 24,711 13,712 3,713 3,717 5,718 6,719 2,724 4,727 4,729 14,730 10,733 1,737 1,741 1,747 27,748 8,749 2,750 10,751 2,755 7,760 0.8,761 1,770 1,771 1,776 5,780 1,784 1,791 1,796 4,802 2,805 34,810 9,811 2,814 1,815 2,824 2,825 1.6,828 1,832 16.667,833 10.786,834 7.417,835 3.888,836 3.313,837 1.398,838 1.002,839 7.351,840 11.635,841 3.882,842 4.454,843 5.019,844 5.556,845 6.111,846 6.363,847 6.729,848 7.122,849 7.545,850 7.741,851 1,852 56,853 12.618,854 5.439,855 7.658,856 24.429,857 20.559,859 2.158,860 73.389,864 294.278,865 100.073,866 92.627,867 78.297,868 25.145,871 100.073,872 397.72,873 92.627,875 23.362,876 65.392,877 109.988,878 26.647,879 4.227,880 282.506,881 78.297,882 294.278,883 192.7,884 25.145,885 78.297,887 248.908,888 72.229,891 52.319,892 70.298,893 146.665,895 294.278,896 117.772,897 178.37,900 294.278,901 43.645,902 62.677,903 36.022,904 153.799,905 294.278,906 117.772,907 178.37,909 0.582,910 0.344,911 0.184,912 0.1,913 26,914 11,915 0.077,916 5,917 1,918 1.071,919 4.547,920 322.79,921 0.071,922 28,923 166.974,928 23.555,929 10.61,930 5.41,931 1.468,932 117.772,933 10.999,934 13.985,938 3.434,940 36.022,941 590.42,942 47.5,946 12.868,950 0.211,952 61.407,953 69.153,954 0.281,955 0.621,956 0.8,957 0.895,958 0.917,959 0.917,960 5.131,961 1.654,962 6.043,963 5.793,964 4.673,965 5.142,966 2.339,967 6.845,968 4.542,969 6.312,970 1.485,971 7.596,972 4.438,973 4.205,974 4.934,975 1.738,976 7.716,977 3.961,978 7.61,979 1.457,980 9.25,981 3.794,982 6.26,983 7.308,984 3.123,985 10.816,986 6.015,987 8.942,988 1.29,989 10.964,990 3.294,991 6.621,992 7.951,993 3.217,994 12.51,995 6.287,996 10.309,997 1.09,998 12.716,999 2.968,1000 8.125,1001 9.811,1002 4.294,1003 15.109,1004 7.775,1005 11.699,1006 1,1007 14.493,1008 2.738,1009 8.874,1010 10.865,1011 4.678,1012 17.141,1013 8.452,1014 13.108,1015 1,1016 16.288,1017 2.275,1018 10.145,1019 12.512,1020 5.58,1021 19.561,1022 9.697,1023 3.124,1024 0.732,1025 18.096,1026 2.136,1027 11.081,1028 13.778,1029 6.104,1030 21.742,1031 10.572,1032 2.97,1033 10.461,1034 19.913,1035 1.796,1036 12.253,1037 15.331,1038 6.909,1039 24.094,1040 11.708,1041 2.85,1042 9.677,1043 21.739,1044 4.478,1045 13.278,1046 16.705,1047 7.507,1048 26.344,1049 12.679,1050 2.667,1051 8.785,1052 23.57,1053 3.879,1054 14.41,1055 18.218,1056 8.258,1057 28.672,1058 13.77,1059 2.202,1060 8.693,1061 25.406,1062 3.295,1063 15.478,1064 19.649,1065 8.895,1066 30.957,1067 14.788,1068 2.178,1069 6.375,1070 27.246,1071 3.205,1072 16.595,1073 21.146,1074 9.617,1075 33.277,1076 15.86,1077 2.049,1078 6.344,1079 29.089,1080 2.9,1081 17.685,1082 22.606,1083 10.276,1084 35.581,1085 16.901,1086 16813,1087 28174,1088 25.948,1089 41.586,1090 57.157,1091 58.544,1092 58.132,1093 57.199,1094 56.847,1095 70.74,1096 8.885,1097 162.362,1098 52.941,1099 5.548,1100 5.836,1101 6.369,1102 5.146,1103 5.124,1104 7.478,1105 3.458,1106 17.412,1107 4.957,1108 13.86,1109 1.504,1110 1.541,1111 1.53,1112 1.505,1113 1.496,1114 1.862,1115 0.234,1116 4.273,1117 1.393,1118 4.068,1119 4.115,1120 4.105,1121 3.939,1122 7.427,1123 3.954,1124 3.907,1125 3.953,1126 4.014,1127 3.855,1128 5.122,1129 3.85,1130 3.895,1131 3.927,1132 3.802,1133 3.727,1134 5.01,1135 3.734,1136 3.744,1137 3.816,1138 3.617,1139 3.563,1140 4.631,1141 3.568,1142 3.432,1143 3.498,1144 3.598,1145 3.24,1146 4.573,1147 3.259,1148 3.322,1149 3.382,1150 3.363,1151 3.121,1152 4.364,1153 3.132,1154 3.184,1155 3.248,1156 3.25,1157 3.028,1158 4.281,1159 3.024,1160 3.111,1161 3.206,1162 3.111,1163 2.941,1164 4.158,1165 2.91,1166 0.12,1167 0.101,1168 0.173,1169 0.107,1170 0.082,1171 4.548,1172 0.118,1173 3.836,1174 0.052,1175 6.567,1176 0.275,1177 4.068,1178 0.078,1179 3.124,1180 4.478,1181 1.985,1182 10.461,1183 2.957,1184 1.974,1185 1.939,1186 2.055,1187 2.133,1188 1.391,1189 2.109,1190 1.887,1191 1.868,1192 2.032,1193 2.039,1194 1.27,1195 2.041,1196 1.844,1197 1.787,1198 1.957,1199 1.957,1200 1.164,1201 1.971,1202 1.717,1203 1.646,1204 1.923,1205 1.922,1206 1.057,1207 1.931,1208 1.364,1209 1.304,1210 1.537,1211 1.588,1212 0.83,1213 1.578,1214 1.26,1215 1.203,1216 1.513,1217 1.499,1218 0.825,1219 1.495,1220 1.153,1221 1.092,1222 1.509,1223 1.376,1224 0.662,1225 1.429,1226 1.153,1227 1.064,1228 1.39,1229 1.365,1230 0.592,1231 1.386,1232 4.344,1233 5.666,1235 7.194,1237 8.809,1239 10.469,1242 12.373,1247 7.263,1248 6.754,1251 -0.045,1252 4.077,1257 39.314,1258 101.702,1259 224.826,1260 289.436,1261 323.775,1262 331.775,1263 331.775,1264 58.638,1265 8.322,1266 86.28,1267 86.28,1268 30,1269 12.742,1270 4.248,1271 3.392,1272 49.998,1273 158,1274 166,1275 0.15,1276 245.895,1277 421.71,1278 591.744,1279 54305,1280 3.3,1281 23.493,1282 0.691,1283 0.598,1284 24.493,1285 20.318,1286 16.581,1287 0.436,1288 0.327,1289 11.561,1290 15.399,1291 11.322,1292 9.266,1293 17.158,1294 12.416,1295 14.865,1296 0.28,1297 0.179,1298 15.644,1299 9.495,1300 12.922,1301 0.182,1302 0.098,1303 13.538,1304 6.99,1305 10.687,1306 0.117,1307 0.054,1308 11.383,1309 4.956,1310 8.766,1311 0.074,1312 0.029,1313 9.124,1314 3.459,1315 0.238,1316 109.74,1317 0.196,1318 31.659,1319 0.404,1320 182,1321 509.034,1322 229.629,1323 553.413,1324 743.31,1325 518,1326 215,1327 506.193,1328 254.92,1329 528.944,1330 781.75,1331 500,1332 8.26}
{0 CHEMBL2018954,1 1.799,2 13.794,3 4.709,4 22.174,5 136.512,6 9.041,7 0.5,8 4.207,9 4.303,10 4.046,11 3.732,12 5.301,13 3.701,14 4.745,15 4.908,16 4.375,17 4.066,18 5.998,19 4.031,20 4.891,21 5.034,22 4.458,23 4.212,24 6.086,25 4.142,26 5.047,27 5.254,28 4.429,29 4.171,30 6.184,31 4.097,32 4.994,33 5.193,34 4.372,35 4.117,36 6.201,37 4.058,38 4.849,39 5.012,40 4.48,41 4.184,42 5.986,43 4.095,44 4.981,45 5.165,46 4.58,47 4.206,48 6.171,49 4.136,50 4.982,51 5.196,52 4.428,53 4.202,54 6.018,55 4.084,56 0.142,57 0.889,58 12.239,59 5.963,60 18.27,61 6.793,62 0.718,63 1.337,64 27.343,65 9.292,66 68.856,67 10.858,68 0.689,69 1.54,70 33.125,71 11.898,72 51.817,73 13.644,74 0.816,75 1.63,76 43.802,77 13.491,78 86.231,79 16.059,80 1.211,81 1.511,82 40.145,83 11.859,84 106.923,85 13.915,86 0.607,87 1.484,88 52.528,89 12.695,90 51.474,91 13.718,92 0.83,93 1.585,94 39.897,95 11.969,96 90.784,97 13.811,98 0.893,99 1.529,100 49.001,101 13.52,102 62.108,103 15.848,104 57,105 50,106 0.29,107 0.603,108 0.788,109 0.834,110 0.842,111 0.842,112 3.56,113 1.054,114 -3.45,115 -3.43,116 -3.28,118 1,119 37.7,120 1,124 3,125 3,138 7,139 2,140 3,141 1,143 3,163 8,165 2,166 4,169 3,172 8,175 4,176 11,179 2,181 2,183 5,186 2,187 9,192 2,197 5,198 8,203 3,208 2,209 13,214 3,217 1,220 1,221 11,226 1,227 2,230 3,231 7,234 1,238 5,241 1,242 5,245 1,249 8,252 2300,253 22.272,254 22.272,255 22.272,256 22.272,257 22.272,258 19.733,259 27.36,260 13.085,261 23.277,262 17.691,263 17.691,264 17.691,265 17.691,266 17.691,267 13.752,268 29.618,269 6.154,270 19.31,271 4.132,272 2.188,273 1.04,274 0.75,275 0.705,276 0.705,277 4.238,283 1,284 972,285 4.472,288 371.338,295 1.983,296 42.196,299 0.75,300 0.5,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.64,307 74.75,308 469,309 4.86,310 4.686,311 7.312,312 4.318,313 3.4,314 4.709,315 1.151,316 12.53,317 3.094,318 4.275,319 3.247,320 6.178,321 3.862,322 2.915,323 3.918,324 0.86,325 9.188,326 2.764,327 4.224,328 3.167,329 6.157,330 3.747,331 2.842,332 3.876,333 0.86,334 9.097,335 2.566,336 3.832,337 2.753,338 5.254,339 3.392,340 2.397,341 3.391,342 0.8,343 6.647,344 2.378,345 3.564,346 2.606,347 5.157,348 3.227,349 2.278,350 2.873,352 6.338,353 2.159,354 3.444,355 2.579,356 4.963,357 3.125,358 2.211,359 2.758,361 5.799,362 2.015,363 3.229,364 2.534,365 4.726,366 2.924,367 2.092,368 2.281,370 5.191,371 1.652,372 3.075,373 2.227,374 4.666,375 2.608,376 1.658,377 2.242,379 4.803,380 1.547,381 2.926,382 1.97,383 4.397,384 2.558,385 1.649,386 2.05,388 4.294,389 1.488,390 2.886,391 1.618,392 4.307,393 2.388,394 1.472,395 2.021,397 4.052,398 1.331,399 2.5,400 1.355,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.159,409 1.161,410 3.304,411 1.934,412 1,413 1.123,415 2.172,416 0.925,417 2,418 1,419 3.285,420 1.701,421 0.811,422 0.935,424 1.804,425 0.714,426 1.718,427 0.941,428 3.213,429 1.404,430 0.533,431 0.613,433 1.026,434 0.457,435 1.44,436 0.717,437 2.862,438 1.074,439 0.217,440 0.254,442 0.508,443 0.165,444 16.933,445 0.498,446 0.998,447 0.029,448 45,449 1.324,450 23,451 0.676,452 22,453 0.647,454 30.974,455 0.911,456 37.667,457 0.617,458 37.165,459 1.093,460 8.891,461 0.261,462 7.283,463 0.214,464 0.236,465 0.049,466 0.26,472 0.731,473 1.539,474 0.565,475 1.196,476 0.725,477 1.004,478 1.064,479 0.879,480 0.623,481 0.734,482 0.662,483 0.724,484 0.956,485 1.203,486 0.84,487 1.172,488 0.949,489 1.141,490 1.098,491 1.098,492 0.555,493 0.973,494 1.12,495 0.926,496 1.335,497 0.837,498 0.577,499 0.663,500 1.204,501 0.743,502 0.988,503 1.27,504 1.2,505 1.211,506 0.984,507 1.066,508 1.281,509 1.046,510 0.948,511 0.889,512 1.493,513 0.961,514 1.085,515 0.786,516 1.175,517 0.847,518 0.658,519 0.867,520 9,521 0.281,522 4.444,523 2.125,524 2.089,525 1.361,526 0.751,527 0.663,528 0.55,529 0.311,530 16230,531 50063,532 1.97,533 44.3,534 3,535 22,537 1,538 1,542 1.762,543 1.813,544 3.736,545 -0.275,550 109.741,551 1.799,552 3.743,553 4.891,554 5.18,555 5.225,556 5.225,557 3.195,558 4.558,559 5.057,560 3.903,561 2189.6,562 8.88,563 34516.5,568 361.775,569 1.627,570 4.992,571 0.25,572 0.008,573 0.089,574 0.042,575 0.044,576 0.029,577 0.015,578 0.014,579 0.012,580 0.008,581 0.512,582 0.33,583 0.63,584 1.308,585 183.978,586 0.025,587 -0.31,588 0.055,589 -0.155,590 -0.152,591 -0.044,592 0.05,593 0.223,594 0.064,595 0.183,596 0.24,597 0.187,598 0.086,599 -0.114,600 -0.041,601 -0.17,602 0.012,603 -0.192,604 0.005,605 -0.133,606 0.083,607 -0.049,608 0.031,609 0.033,610 0.012,611 0.117,612 0.064,613 0.209,614 0.062,615 0.17,616 -0.035,617 -0.182,618 -0.04,619 -0.103,620 -0.012,621 -0.076,622 -0.152,623 -0.028,624 0.054,625 0.024,626 -0.169,627 -0.033,628 -0.056,629 0.182,630 -0.001,631 0.163,632 0.022,633 0.123,634 4.786,635 5.808,636 0.529,637 39.232,638 1.016,639 1.128,640 2.219,641 4.922,642 0.679,643 3.611,644 3.932,645 4.111,646 4.304,647 4.533,648 4.575,649 4.595,650 4.644,651 4.745,652 4.82,653 8.001,654 0.643,655 551.51,656 3.611,657 5.153,658 5.974,659 6.843,660 7.686,661 8.558,662 9.411,663 10.286,664 11.144,665 12.02,666 6.6,669 1,671 1,676 2,681 8,682 2,686 8,688 18,701 3,702 1,703 61,705 20,706 2,707 36,708 1,709 63,710 23,711 16,712 5,713 7,717 3,718 3,721 1,729 16,730 7,733 2,736 1,737 2,747 27,748 9,749 1,750 11,751 2,755 4,760 1,761 5,768 1,776 3,792 1,796 3,799 1,800 1,801 4,805 34,808 1,810 3,811 1,812 3,815 1,824 1,825 8.2,828 2,830 3,832 18.75,833 12.16,834 7.514,835 3.245,836 3.367,837 1.444,838 0.953,839 9.279,840 10.954,841 3.871,842 4.483,843 4.947,844 5.445,845 5.967,846 6.094,847 6.255,848 6.439,849 6.811,850 7.15,851 1,852 51,853 12.83,854 5.537,855 7.868,856 23.633,857 18.513,859 2.368,860 80.5,864 306.049,865 157.158,866 99.054,868 77.313,870 5.807,871 197.304,872 383.361,873 53.1,874 36.501,875 11.29,876 72.141,877 106.06,878 63.58,879 9.769,880 340.232,882 306.049,883 204.451,884 77.313,885 5.807,886 45.954,887 306.049,888 77.313,891 32.287,892 122.187,893 55.783,894 45.954,895 306.049,896 130.413,897 203.112,899 5.807,900 306.049,901 39.468,902 115.006,903 62.359,904 110.884,905 306.049,906 130.413,907 203.112,909 0.582,910 0.32,911 0.159,912 0.092,913 21,914 11,915 0.175,916 11,918 1,919 4.385,920 300.934,922 18,923 164.974,927 1,928 26.385,929 11.957,930 7.645,932 130.413,933 13.331,934 8.396,938 3.482,940 16.405,941 639.573,942 47,945 -3.87,946 25.615,952 61.952,953 68.784,954 0.303,955 0.631,956 0.825,957 0.873,958 0.881,959 0.881,960 5.109,961 1.658,962 5.989,963 5.191,964 4.615,965 5.17,966 2.024,967 6.799,968 4.454,969 6.342,970 1.649,971 7.56,972 4.803,973 4.369,974 5.231,975 0.325,976 7.934,977 4.104,978 7.681,979 1.472,980 9.241,981 4.294,982 6.256,983 7.45,984 1.968,985 10.932,986 5.945,987 9.061,988 1,989 10.993,990 4.052,991 6.792,992 8.303,993 0.268,994 12.927,995 6.368,996 10.477,997 1,998 12.793,999 2.275,1000 8.215,1001 10.077,1002 2.02,1003 15.551,1004 7.743,1005 11.919,1006 0.811,1007 14.631,1008 2.172,1009 9.107,1010 11.282,1011 0.188,1012 17.876,1013 8.517,1014 13.383,1015 0.533,1016 16.497,1017 1.804,1018 10.366,1019 12.896,1020 2.142,1021 20.41,1022 9.715,1023 3.4,1024 0.217,1025 18.386,1026 1.026,1027 11.424,1028 14.269,1029 0.125,1030 22.857,1031 10.657,1032 2.915,1033 12.53,1034 20.293,1035 0.508,1036 12.63,1037 15.823,1038 2.317,1039 25.374,1040 11.788,1041 2.842,1042 9.188,1043 22.215,1044 4.709,1045 13.764,1046 17.277,1047 0.082,1048 27.867,1049 12.812,1050 2.397,1051 9.097,1052 24.149,1053 3.918,1054 14.959,1055 18.813,1056 2.527,1057 30.385,1058 13.92,1059 2.278,1060 6.647,1061 26.093,1062 3.876,1063 16.13,1064 20.308,1065 0.054,1066 32.897,1067 14.986,1068 2.211,1069 6.338,1070 28.045,1071 3.391,1072 17.326,1073 21.84,1074 2.761,1075 35.419,1076 16.09,1077 2.092,1078 5.799,1079 30.003,1080 2.873,1081 18.517,1082 23.358,1083 0.035,1084 37.939,1085 17.177,1086 16104,1087 28636,1088 23.057,1089 41.432,1090 53.097,1091 54.77,1092 55.056,1093 53.024,1094 52.954,1095 69.085,1096 7.342,1097 151.449,1098 48.508,1099 5.745,1100 6.686,1101 6.867,1102 5.41,1103 5.4,1104 7.709,1105 2.302,1106 19.935,1107 5.094,1108 21.253,1109 1.475,1110 1.521,1111 1.529,1112 1.473,1113 1.471,1114 1.919,1115 0.204,1116 4.207,1117 1.347,1118 4.09,1119 4.076,1120 6.88,1121 4.07,1122 7.717,1123 3.988,1124 3.942,1125 3.955,1126 4.736,1127 3.853,1128 6.999,1129 3.857,1130 3.814,1131 3.851,1132 3.896,1133 3.684,1134 5.041,1135 3.688,1136 3.661,1137 3.744,1138 3.74,1139 3.55,1140 4.909,1141 3.476,1142 3.624,1143 3.606,1144 3.666,1145 3.433,1146 4.702,1147 3.441,1148 3.332,1149 3.375,1150 3.512,1151 3.102,1152 4.486,1153 3.117,1154 3.23,1155 3.305,1156 3.195,1157 2.972,1158 4.451,1159 2.969,1160 3.087,1161 3.153,1162 3.036,1163 2.914,1164 4.266,1165 2.886,1166 0.135,1167 0.13,1168 0.203,1169 0.12,1170 0.094,1171 4.86,1172 0.131,1173 4.686,1174 0.032,1175 7.312,1176 0.348,1177 4.318,1178 0.086,1179 3.4,1180 4.709,1181 1.151,1182 12.53,1183 3.094,1184 1.974,1185 1.979,1186 2.025,1187 2.051,1188 1.198,1189 2.08,1190 1.897,1191 1.881,1192 1.997,1193 2.011,1194 1.15,1195 2.007,1196 1.723,1197 1.692,1198 1.876,1199 1.907,1200 1.081,1201 1.891,1202 1.613,1203 1.532,1204 1.723,1205 1.863,1206 0.82,1207 1.867,1208 1.463,1209 1.484,1210 1.583,1211 1.613,1212 0.702,1213 1.656,1214 1.261,1215 1.212,1216 1.561,1217 1.547,1218 0.676,1219 1.557,1220 1.199,1221 1.116,1222 1.527,1223 1.49,1224 0.61,1225 1.513,1226 1.063,1227 0.994,1228 1.417,1229 1.314,1230 0.514,1231 1.341,1232 4.29,1233 5.609,1235 7.111,1237 8.697,1239 10.329,1240 3.254,1241 7.394,1247 1.357,1248 2.458,1249 17.064,1252 2.018,1257 39.193,1258 109.741,1259 228.31,1260 298.349,1261 316.001,1262 318.755,1263 318.755,1264 83.68,1265 7.587,1266 102.88,1267 111.26,1268 18,1269 12.563,1270 4.392,1271 3.585,1272 67.277,1273 161,1274 168,1275 0.198,1276 253.071,1277 438.66,1278 609.252,1279 22236,1280 1.6,1281 24.717,1282 0.727,1283 0.642,1284 25.967,1285 21.812,1286 16.174,1287 0.449,1288 0.351,1289 10.325,1290 14.048,1291 9.756,1292 8.198,1293 17.572,1294 12.646,1295 15.097,1296 0.302,1297 0.204,1298 17.214,1299 10.186,1300 11.386,1301 0.19,1302 0.107,1303 13.002,1304 6.41,1305 8.883,1306 0.122,1307 0.056,1308 10.382,1309 4.11,1310 7.174,1311 0.078,1312 0.032,1313 8.662,1314 2.939,1315 0.316,1316 119.583,1317 0.208,1318 31.706,1319 0.531,1320 172,1321 597.461,1322 297.982,1323 618.686,1324 817.42,1325 572,1326 196,1327 532.981,1328 293.531,1329 589.591,1330 853.14,1331 544,1332 8.41}
{0 CHEMBL2018955,1 1.909,2 9.857,3 4.992,4 24.915,5 113.988,6 9.863,7 0.677,8 3.921,9 3.994,10 3.897,11 3.596,12 5.045,13 3.539,14 4.433,15 4.54,16 4.323,17 3.992,18 5.786,19 3.912,20 4.596,21 4.733,22 4.276,23 4.015,24 5.795,25 3.944,26 4.659,27 4.815,28 4.259,29 3.976,30 5.932,31 3.918,32 4.666,33 4.838,34 4.279,35 3.976,36 5.952,37 3.922,38 4.657,39 4.821,40 4.196,41 4.034,42 5.897,43 3.948,44 4.651,45 4.801,46 4.187,47 4.038,48 5.899,49 3.943,50 4.635,51 4.795,52 4.063,53 3.99,54 5.829,55 3.855,56 0.139,57 0.655,58 7.224,59 4.255,60 15.36,61 4.069,62 0.451,63 1.053,64 19.593,65 7.79,66 50.238,67 7.091,68 0.414,69 1.25,70 22.535,71 9.091,72 35.961,73 8.653,74 0.609,75 1.316,76 24.533,77 8.925,78 52.63,79 8.852,80 0.722,81 1.314,82 22.559,83 8.64,84 67.161,85 8.528,86 0.642,87 1.319,88 25.825,89 9.683,90 55.344,91 9.367,92 0.532,93 1.222,94 25.09,95 10.313,96 65.799,97 9.698,98 0.573,99 1.164,100 28.308,101 11.027,102 62.953,103 10.349,104 18,105 45,106 0.324,107 0.618,108 0.726,109 0.838,110 0.862,111 0.862,112 3.376,113 1.066,114 -4.72,115 -4.64,116 -4.36,119 43.2,124 1,125 1,138 10,139 2,140 1,143 1,148 1,149 2,159 1,163 9,165 1,166 6,169 3,171 1,172 13,176 10,179 1,181 2,183 5,186 4,187 12,190 1,192 3,194 2,197 2,198 7,203 3,205 7,208 2,209 9,214 2,217 8,221 10,226 2,227 11,231 8,236 1,238 9,242 6,249 9,252 1254,253 18.842,254 18.842,255 18.842,256 18.842,257 18.842,258 16.039,259 20.334,260 10.99,261 19.645,262 15.275,263 15.275,264 15.275,265 15.275,266 15.275,267 10.967,268 27.335,269 5.163,270 16.613,271 3.55,272 1.819,273 1.181,274 0.517,275 0.381,276 0.381,277 4.067,280 1,282 1,283 1,284 597,285 3.606,287 133.818,288 157.414,291 112.571,295 1.449,296 33.793,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 60.833,308 276,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.682,319 3.371,320 6.925,321 4.168,322 3.226,323 4.632,324 0.522,325 11.651,326 2.971,327 3.94,328 2.896,329 5.825,330 3.563,331 2.584,332 3.475,334 8.019,335 2.535,336 3.859,337 2.847,338 5.366,339 3.249,340 2.417,341 3.424,343 6.798,344 2.146,345 3.665,346 2.516,347 5.296,348 3.216,349 2.266,350 3.116,352 6.688,353 1.995,354 3.382,355 2.188,356 5.116,357 2.911,358 1.978,359 2.733,361 5.995,362 1.824,363 2.949,364 1.731,365 4.547,366 2.532,367 1.555,368 2.12,370 4.222,371 1.517,372 2.797,373 1.613,374 4.441,375 2.269,376 1.36,377 1.887,379 3.874,380 1.247,381 2.701,382 1.433,383 3.747,384 2.231,385 1.283,386 1.786,388 3.002,389 1.184,390 2.639,391 1.219,392 3.571,393 2.125,394 1.176,395 1.684,397 2.771,398 1.035,399 2.5,400 1,401 3.283,402 2,403 1,404 1.5,406 2.136,407 1,408 2.179,409 0.952,410 3.247,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.64,418 0.796,419 3.143,420 1.343,421 0.469,422 0.531,424 0.767,425 0.406,426 1.23,427 0.243,428 2.932,429 0.922,430 -0.045,431 -0.055,433 -0.123,434 -0.043,435 1.06,436 0.143,437 2.649,438 0.68,439 -0.276,440 -0.348,442 -0.794,443 -0.259,444 14.081,445 0.503,446 0.783,447 0.028,448 39.75,449 1.42,450 22,451 0.786,452 17.75,453 0.634,454 22.063,455 0.788,456 29.119,457 0.662,458 30.141,459 1.076,460 7.704,461 0.275,462 5.772,463 0.206,464 0.134,465 0.059,466 0.277,472 0.566,473 1.117,474 0.673,475 1.008,476 0.659,477 0.807,478 0.794,479 1.01,480 0.616,481 0.747,482 0.595,483 0.789,484 0.991,485 1.297,486 0.941,487 1.15,488 0.973,489 1.017,490 0.968,491 1.233,492 0.734,493 0.933,494 1.001,495 0.976,496 0.938,497 0.982,498 0.68,499 0.793,500 0.968,501 0.84,502 0.987,503 0.92,504 0.944,505 0.913,506 0.812,507 0.877,508 1.2,509 0.948,510 0.936,511 1,512 1.433,513 0.967,514 1.305,515 0.913,516 1.139,517 1.081,518 1.361,519 1.076,520 6.5,521 0.094,522 3.333,523 2.667,524 1.699,525 1.286,526 0.81,527 0.424,528 0.406,529 0.195,530 9045,531 30611,532 2.085,533 36.4,535 15,538 1,542 1.718,543 1.942,544 3.27,545 -0.252,550 83.995,551 1.909,552 3.64,553 4.278,554 4.942,555 5.079,556 5.079,557 2.74,558 4.352,559 4.776,560 3.411,561 1289.39,562 8.348,563 16570.3,565 1,568 240.215,569 1.572,570 4.728,571 0.21,572 0.006,573 0.074,574 0.061,575 0.039,576 0.03,577 0.019,578 0.01,579 0.012,580 0.008,581 0.468,582 0.17,583 1,584 0.744,585 138.114,586 0.089,587 -0.037,588 0.118,589 -0.058,590 -0.152,591 0.021,592 0.138,593 0.051,594 0.195,595 0.175,596 0.221,597 0.06,598 -0.061,599 -0.25,600 -0.027,601 -0.183,602 -0.066,603 -0.108,604 0.085,605 -0.17,606 0.04,607 -0.075,608 0.033,609 -0.101,610 0.11,611 0.076,612 0.123,613 0.052,614 0.073,615 0.056,616 -0.002,617 0.141,618 -0.059,619 0.052,620 0.084,621 0.057,622 -0.146,623 0.02,624 -0.047,625 -0.009,626 -0.13,627 -0.007,628 -0.198,629 0.015,630 -0.13,631 -0.019,632 -0.164,633 -0.062,634 4.732,635 5.776,636 0.714,637 24.199,638 1.022,639 1.109,640 3.493,641 12.202,642 0.747,643 3.466,644 3.829,645 4.111,646 4.419,647 4.625,648 4.736,649 4.89,650 5.024,651 5.118,652 5.176,653 5.944,654 0.707,655 433.97,656 3.466,657 5.03,658 5.894,659 6.801,660 7.689,661 8.603,662 9.502,663 10.42,664 11.326,665 12.247,666 6.8,671 1,674 1,676 1,680 2,681 10,682 1,685 1,686 5,687 1,688 21,701 1,702 1,703 44,705 23,706 2,707 31,709 47,710 19,711 17,712 4,713 8,717 4,718 5,719 1,729 17,730 2,733 2,736 1,737 2,747 16,748 5,749 1,750 9,751 3,755 3,760 0.75,761 3,769 1,775 2,776 2,779 1,796 3,799 2,801 1,802 1,805 28,808 1,810 1,811 1,812 1,820 1,824 1,825 6.8,828 2,830 1,832 14.417,833 8.21,834 6.069,835 2.359,836 3.522,837 1.468,838 1.026,839 5.427,840 11.053,841 3.795,842 4.489,843 5.083,844 5.719,845 6.199,846 6.534,847 6.942,848 7.374,849 7.699,850 8.037,851 0.857,852 44,853 10.6,854 4.844,855 7.894,856 19.5,857 16.267,859 2.394,860 67.028,863 1,864 176.567,865 161.984,866 34.845,867 39.149,868 55.313,870 37.085,871 124.899,872 271.028,873 34.845,874 10.883,875 2.106,876 100.57,877 77.381,878 25.452,879 43.621,880 207.844,882 176.567,883 159.743,884 55.313,885 76.234,887 176.567,888 55.313,891 5.556,892 121.12,893 38.875,894 70.426,895 176.567,896 90.157,897 201.132,899 5.807,900 176.567,901 50.531,902 107.422,903 16.405,904 111.124,905 176.567,906 90.157,907 201.132,909 0.587,910 0.345,911 0.191,912 0.106,913 23,914 10,915 0.128,916 6,917 1,918 1.1,919 3.86,920 254.081,921 0.1,922 20,923 128.606,924 1,927 1,928 19.397,929 7.835,930 3.967,931 1.372,932 88.381,933 18.35,934 4.529,937 0.988,938 2.33,939 1.756,940 16.405,941 467.856,942 43.5,945 -3.816,946 25.553,952 44.949,953 48.814,954 0.35,955 0.667,956 0.784,957 0.905,958 0.93,959 0.93,960 5.039,961 1.36,962 5.922,963 4.222,964 4.511,965 5.176,966 1.106,967 6.806,968 4.365,969 6.302,970 1.283,971 7.529,972 3.874,973 4.29,974 5.27,976 8.028,977 4.028,978 7.667,979 1.176,980 9.25,981 3.002,982 6.213,983 7.563,984 0.807,985 11.107,986 5.93,987 9.078,988 1,989 11.043,990 2.771,991 6.825,992 8.501,994 13.167,995 6.425,996 10.526,997 0.687,998 12.883,999 2.136,1000 8.264,1001 10.302,1002 0.615,1003 15.84,1004 7.837,1005 12.001,1006 0.469,1007 14.757,1008 1.671,1009 9.229,1010 11.597,1012 18.195,1013 8.695,1014 13.497,1015 -0.045,1016 16.654,1017 0.767,1018 10.507,1019 13.23,1020 0.476,1021 20.754,1022 9.927,1023 3.431,1024 -0.276,1025 18.57,1026 -0.123,1027 11.618,1028 14.674,1030 23.211,1031 10.944,1032 3.226,1033 12.608,1034 20.499,1035 -0.794,1036 12.844,1037 16.25,1038 0.369,1039 25.737,1040 12.111,1041 2.584,1042 11.651,1043 22.438,1044 4.768,1045 14.015,1046 17.755,1048 28.229,1049 13.196,1050 2.417,1051 8.019,1052 24.386,1053 4.632,1054 15.228,1055 19.312,1056 0.284,1057 30.746,1058 14.343,1059 2.266,1060 6.798,1061 26.339,1062 3.475,1063 16.424,1064 20.843,1066 33.253,1067 15.458,1068 1.978,1069 6.688,1070 28.298,1071 3.424,1072 17.636,1073 22.394,1074 0.217,1075 35.769,1076 16.599,1077 1.555,1078 5.995,1079 30.261,1080 3.116,1081 18.843,1082 23.937,1084 38.282,1085 17.729,1086 8668,1087 16218,1088 20.572,1089 32.864,1090 47.147,1091 48.036,1092 48.231,1093 46.959,1094 46.865,1095 65.349,1096 2.763,1097 140.403,1098 43.262,1099 5.73,1100 6.689,1101 7.124,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.174,1107 5.193,1108 13.37,1109 1.521,1110 1.55,1111 1.556,1112 1.515,1113 1.512,1114 2.108,1115 0.089,1116 4.529,1117 1.396,1118 4.167,1119 4.191,1120 4.793,1121 4.13,1122 7.717,1123 4.062,1124 3.998,1125 3.964,1126 4.168,1127 3.983,1128 6.999,1129 3.926,1130 3.877,1131 3.904,1132 4.076,1133 3.823,1134 5.048,1135 3.815,1136 3.56,1137 3.553,1138 3.805,1139 3.528,1140 4.885,1141 3.423,1142 3.419,1143 3.46,1144 3.352,1145 3.217,1146 4.743,1147 3.229,1148 3.223,1149 3.289,1150 3.168,1151 2.994,1152 4.596,1153 2.996,1154 3.051,1155 3.098,1156 3.065,1157 2.913,1158 4.26,1159 2.903,1160 2.854,1161 2.925,1162 2.927,1163 2.735,1164 4.141,1165 2.715,1166 0.157,1167 0.151,1168 0.236,1169 0.14,1170 0.111,1171 4.882,1172 0.154,1173 4.689,1174 0.028,1175 7.322,1176 0.407,1177 4.347,1178 0.103,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.956,1185 1.936,1186 2.057,1187 2.058,1188 1.215,1189 2.057,1190 1.888,1191 1.868,1192 1.982,1193 1.973,1194 1.109,1195 1.987,1196 1.728,1197 1.777,1198 1.617,1199 1.831,1200 0.939,1201 1.878,1202 1.424,1203 1.405,1204 1.591,1205 1.639,1206 0.705,1207 1.627,1208 1.373,1209 1.326,1210 1.532,1211 1.501,1212 0.605,1213 1.527,1214 1.176,1215 1.098,1216 1.34,1217 1.455,1218 0.57,1219 1.49,1220 1.118,1221 1.085,1222 1.181,1223 1.226,1224 0.368,1225 1.258,1226 0.886,1227 0.854,1228 1.068,1229 1.062,1230 0.218,1231 1.107,1232 4.143,1233 5.493,1234 3.045,1235 7.031,1236 5.416,1237 8.655,1238 7.535,1239 10.328,1241 1.542,1242 5.893,1247 0.497,1248 2.584,1249 5.449,1257 31.098,1258 83.995,1259 160.167,1260 188.241,1261 217.46,1262 223.46,1263 223.46,1264 53.718,1265 7.531,1266 73.22,1267 109.84,1268 22,1269 12.758,1270 4.585,1271 3.755,1272 42.084,1273 97,1274 104,1275 0.21,1276 200.071,1277 332.06,1278 479.934,1279 17707,1280 2.3,1281 19.725,1282 0.704,1283 0.614,1284 20.829,1285 17.183,1286 13.475,1287 0.435,1288 0.355,1289 8.442,1290 11.663,1291 8.004,1292 6.633,1293 14.994,1294 11.011,1295 12.644,1296 0.281,1297 0.214,1298 15.218,1299 9.635,1300 10.38,1301 0.173,1302 0.121,1303 12.77,1304 7.241,1305 8.932,1306 0.109,1307 0.066,1308 11.132,1309 5.428,1310 7.11,1311 0.07,1312 0.039,1313 9.514,1314 3.973,1315 0.32,1316 99.801,1317 0.22,1318 26.263,1319 0.609,1320 152,1321 490.754,1322 255.552,1323 543.691,1324 731.25,1325 502,1326 181,1327 476.421,1328 274.158,1329 544.313,1330 798.95,1331 508,1332 6.505}
{0 CHEMBL2018956,1 1.913,2 10.033,3 4.975,4 24.752,5 120.451,6 9.667,7 0.636,8 4.007,9 4.079,10 3.953,11 3.641,12 5.141,13 3.594,14 4.526,15 4.639,16 4.373,17 4.03,18 5.856,19 3.964,20 4.658,21 4.782,22 4.357,23 4.075,24 5.871,25 4.024,26 4.765,27 4.904,28 4.35,29 4.081,30 6.038,31 4.033,32 4.824,33 5.001,34 4.36,35 4.102,36 6.069,37 4.039,38 4.839,39 5.033,40 4.291,41 4.132,42 6.017,43 4.05,44 4.771,45 4.922,46 4.297,47 4.13,48 6.01,49 4.053,50 4.768,51 4.915,52 4.229,53 4.107,54 5.954,55 3.992,56 0.164,57 0.713,58 8.276,59 4.774,60 16.119,61 4.582,62 0.571,63 1.133,64 22.976,65 8.686,66 57.252,67 7.818,68 0.477,69 1.311,70 23.456,71 9.464,72 37.65,73 8.958,74 0.752,75 1.425,76 25.586,77 9.646,78 56.519,79 9.431,80 0.844,81 1.504,82 26.472,83 10.201,84 73.048,85 10.832,86 0.807,87 1.546,88 33.855,89 11.649,90 66.04,91 12.193,92 0.679,93 1.37,94 28.216,95 11.235,96 73.066,97 10.819,98 0.746,99 1.312,100 29.513,101 11.961,102 68.672,103 11.404,104 30,105 48,106 0.319,107 0.623,108 0.728,109 0.834,110 0.865,111 0.886,112 3.441,113 1.049,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 2,125 1,138 9,139 2,140 2,143 1,148 1,149 2,159 1,163 7,165 1,166 8,169 3,171 1,172 11,176 11,179 1,181 2,183 4,186 5,187 12,190 1,192 3,194 2,197 3,198 7,203 3,205 5,208 2,209 11,214 1,217 7,221 10,224 1,226 2,227 10,230 1,231 7,236 1,238 9,241 2,242 6,249 7,252 1468,253 20.212,254 20.212,255 20.212,256 20.212,257 20.212,258 17.409,259 23.162,260 11.652,261 21.186,262 16.174,263 16.174,264 16.174,265 16.174,266 16.174,267 11.778,268 30.262,269 5.342,270 17.691,271 3.672,272 1.855,273 1.225,274 0.589,275 0.406,276 0.281,277 4.132,280 1,282 1,283 1,284 645,285 3.808,287 142.968,288 170.907,291 120.565,295 1.507,296 38.091,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 301,309 4.882,310 4.689,311 7.322,312 4.348,313 3.432,314 4.768,315 0.86,316 12.608,317 3.194,318 4.684,319 3.381,320 6.926,321 4.17,322 3.229,323 4.632,324 0.86,325 11.655,326 2.973,327 4.198,328 3.125,329 6.163,330 3.808,331 2.84,332 3.806,333 0.522,334 9.115,335 2.747,336 3.86,337 2.896,338 5.742,339 3.285,340 2.418,341 3.424,343 7.617,344 2.192,345 3.71,346 2.651,347 5.365,348 3.248,349 2.35,350 3.145,352 6.797,353 1.996,354 3.383,355 2.269,356 5.116,357 2.916,358 1.986,359 2.733,361 6.001,362 1.825,363 2.959,364 2.008,365 4.658,366 2.592,367 1.641,368 2.12,370 4.651,371 1.557,372 2.917,373 1.658,374 4.447,375 2.458,376 1.486,377 2.078,379 3.875,380 1.436,381 2.797,382 1.613,383 4.276,384 2.262,385 1.36,386 1.887,388 3.714,389 1.236,390 2.692,391 1.433,392 3.73,393 2.228,394 1.274,395 1.775,397 3.008,398 1.184,399 2.638,400 1.219,401 3.615,402 2.125,403 1.176,404 1.682,406 2.777,407 1.035,408 2.179,409 0.954,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.739,418 0.938,419 3.143,420 1.437,421 0.54,422 0.628,424 0.933,425 0.479,426 1.627,427 0.796,428 3.002,429 1.329,430 0.456,431 0.517,433 0.725,434 0.394,435 1.193,436 0.291,437 2.735,438 0.902,439 -0.038,440 -0.046,442 -0.085,443 -0.036,444 14.914,445 0.497,446 0.834,447 0.028,448 41.75,449 1.392,450 22.5,451 0.75,452 19.25,453 0.642,454 24.969,455 0.832,456 31.886,457 0.664,458 33.307,459 1.11,460 8.204,461 0.273,462 6.22,463 0.207,464 0.16,465 0.056,466 0.295,472 0.636,473 1.181,474 0.676,475 1.052,476 0.673,477 0.846,478 0.951,479 0.948,480 0.62,481 0.691,482 0.643,483 0.713,484 1.034,485 1.308,486 0.938,487 1.148,488 0.992,489 0.989,490 1.041,491 1.249,492 0.781,493 0.957,494 1.03,495 1.035,496 0.817,497 1.057,498 0.684,499 0.853,500 0.888,501 0.941,502 0.893,503 0.863,504 0.841,505 0.82,506 0.73,507 0.78,508 1.137,509 0.916,510 0.905,511 0.949,512 1.382,513 0.917,514 1.165,515 0.999,516 1.074,517 1.105,518 1.317,519 1.121,520 7,521 0.107,522 4,523 2.854,524 1.931,525 1.404,526 0.947,527 0.519,528 0.513,529 0.31,530 10639,531 36905,532 2.059,533 37.5,535 17,538 1,542 1.736,543 1.905,544 3.305,545 -0.25,550 91.826,551 1.913,552 3.73,553 4.36,554 4.996,555 5.179,556 5.304,557 2.766,558 4.507,559 4.877,560 3.467,561 1507.94,562 8.552,563 20387.2,568 268.078,569 1.615,570 4.82,571 0.212,572 0.005,573 0.083,574 0.058,575 0.039,576 0.03,577 0.02,578 0.011,579 0.013,580 0.01,581 0.481,582 0.33,583 0.88,584 0.855,585 151.432,586 0.057,587 -0.074,588 0.121,589 -0.073,590 -0.148,591 0.008,592 0.045,593 0.119,594 0.214,595 0.255,596 0.197,597 0.159,598 -0.096,599 -0.242,600 -0.033,601 -0.175,602 -0.07,603 -0.093,604 0.017,605 -0.186,606 -0.034,607 -0.11,608 -0.014,609 -0.184,610 0.117,611 -0.019,612 0.101,613 -0.016,614 0.077,615 -0.027,616 0.013,617 0.185,618 0.05,619 0.133,620 0.112,621 0.195,622 -0.121,623 0.08,624 -0.033,625 0.025,626 -0.123,627 0.031,628 -0.1,629 -0.054,630 -0.115,631 -0.076,632 -0.175,633 -0.139,634 4.77,635 5.857,636 0.667,637 26.342,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.19,646 4.489,647 4.691,648 4.812,649 4.97,650 5.118,651 5.236,652 5.313,653 6.197,654 0.695,655 464,656 3.526,657 5.094,658 5.964,659 6.872,660 7.764,661 8.678,662 9.58,663 10.498,664 11.405,665 12.325,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 2,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,729 17,730 3,733 2,736 1,737 2,747 18,748 6,749 1,750 10,751 3,755 3,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 2,802 1,805 30,808 1,810 1,811 1,812 2,820 1,824 1,825 8.3,828 2,830 2,832 15.75,833 9.293,834 6.597,835 2.519,836 3.64,837 1.472,838 1.008,839 6.135,840 11.346,841 3.839,842 4.533,843 5.137,844 5.765,845 6.244,846 6.59,847 6.995,848 7.429,849 7.77,850 8.123,851 0.857,852 49,853 11.343,854 5.137,855 7.906,856 20.81,857 17.159,859 2.406,860 72.194,863 1,864 200.109,865 168.634,866 34.845,867 39.149,868 66.313,870 37.085,871 131.549,872 305.57,873 34.845,874 21.766,875 2.106,876 91.094,877 77.381,878 41.695,879 43.621,880 231.386,882 200.109,883 166.394,884 66.313,885 76.234,887 200.109,888 66.313,891 5.556,892 127.77,893 38.875,894 70.426,895 200.109,896 101.157,897 207.783,899 5.807,900 200.109,901 55.774,902 108.829,903 16.405,904 122.124,905 200.109,906 101.157,907 207.783,909 0.586,910 0.354,911 0.196,912 0.105,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 3.962,920 280.288,921 0.1,922 20,923 145.207,924 1,927 1,928 21.278,929 8.649,930 4.272,931 1.295,932 99.381,933 16.054,934 4.549,937 0.976,938 2.822,939 1.717,940 16.405,941 509.049,942 45.5,945 -3.853,946 25.714,952 49.16,953 53.438,954 0.343,955 0.668,956 0.781,957 0.895,958 0.927,959 0.95,960 5.089,961 1.486,962 5.994,963 4.651,964 4.575,965 5.22,966 1.505,967 6.887,968 4.42,969 6.354,970 1.36,971 7.609,972 3.875,973 4.369,974 5.338,976 8.113,977 4.11,978 7.723,979 1.274,980 9.337,981 3.714,982 6.286,983 7.611,984 1.205,985 11.188,986 5.997,987 9.137,988 1.176,989 11.132,990 3.008,991 6.909,992 8.562,994 13.235,995 6.515,996 10.587,997 0.687,998 12.972,999 2.777,1000 8.34,1001 10.35,1002 0.978,1003 15.9,1004 7.914,1005 12.063,1006 0.54,1007 14.843,1008 1.671,1009 9.307,1010 11.648,1012 18.242,1013 8.785,1014 13.559,1015 0.456,1016 16.737,1017 0.933,1018 10.578,1019 13.273,1020 0.792,1021 20.793,1022 10.009,1023 3.432,1024 -0.038,1025 18.647,1026 0.725,1027 11.686,1028 14.714,1030 23.24,1031 11.029,1032 3.229,1033 12.608,1034 20.57,1035 -0.085,1036 12.906,1037 16.284,1038 0.636,1039 25.76,1040 12.19,1041 2.84,1042 11.655,1043 22.503,1044 4.768,1045 14.072,1046 17.786,1048 28.247,1049 13.274,1050 2.418,1051 9.115,1052 24.444,1053 4.632,1054 15.279,1055 19.338,1056 0.504,1057 30.76,1058 14.415,1059 2.35,1060 7.617,1061 26.392,1062 3.806,1063 16.47,1064 20.865,1066 33.264,1067 15.527,1068 1.986,1069 6.797,1070 28.345,1071 3.424,1072 17.676,1073 22.413,1074 0.395,1075 35.777,1076 16.663,1077 1.641,1078 6.001,1079 30.302,1080 3.145,1081 18.879,1082 23.952,1084 38.289,1085 17.789,1086 10283,1087 19427,1088 21.671,1089 35.08,1090 49.925,1091 51.27,1092 52.12,1093 49.823,1094 49.748,1095 68.429,1096 4.483,1097 150.293,1098 45.655,1099 5.731,1100 6.689,1101 7.016,1102 5.52,1103 5.432,1104 7.768,1105 1.72,1106 20.175,1107 5.194,1108 15.854,1109 1.513,1110 1.554,1111 1.579,1112 1.51,1113 1.508,1114 2.074,1115 0.136,1116 4.554,1117 1.383,1118 4.168,1119 4.191,1120 4.793,1121 4.13,1122 7.717,1123 4.062,1124 3.999,1125 3.964,1126 4.168,1127 3.983,1128 6.999,1129 3.926,1130 3.89,1131 3.91,1132 4.078,1133 3.825,1134 5.052,1135 3.823,1136 3.56,1137 3.554,1138 3.833,1139 3.528,1140 4.885,1141 3.423,1142 3.42,1143 3.461,1144 3.354,1145 3.217,1146 4.845,1147 3.229,1148 3.249,1149 3.315,1150 3.168,1151 2.995,1152 4.604,1153 2.997,1154 3.223,1155 3.289,1156 3.065,1157 2.971,1158 4.384,1159 2.981,1160 3.047,1161 3.095,1162 3.063,1163 2.902,1164 4.26,1165 2.892,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.348,1178 0.097,1179 3.432,1180 4.768,1181 0.86,1182 12.608,1183 3.194,1184 1.954,1185 1.936,1186 2.043,1187 2.059,1188 1.216,1189 2.055,1190 1.884,1191 1.869,1192 1.975,1193 1.977,1194 1.11,1195 1.985,1196 1.728,1197 1.777,1198 1.618,1199 1.833,1200 0.939,1201 1.878,1202 1.424,1203 1.405,1204 1.592,1205 1.642,1206 0.705,1207 1.629,1208 1.373,1209 1.326,1210 1.573,1211 1.513,1212 0.605,1213 1.533,1214 1.197,1215 1.125,1216 1.531,1217 1.501,1218 0.574,1219 1.527,1220 1.175,1221 1.096,1222 1.339,1223 1.455,1224 0.57,1225 1.49,1226 1.118,1227 1.083,1228 1.117,1229 1.225,1230 0.368,1231 1.257,1232 4.205,1233 5.557,1234 3.045,1235 7.101,1236 5.416,1237 8.733,1238 7.535,1239 10.412,1241 3.137,1242 5.91,1247 0.389,1248 2.581,1249 10.903,1257 33.34,1258 91.826,1259 179.02,1260 209.284,1261 239.814,1262 248.568,1263 254.568,1264 61.134,1265 7.706,1266 82.45,1267 119.07,1268 22,1269 12.836,1270 4.585,1271 3.755,1272 46.647,1273 110,1274 114,1275 0.208,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.617,1284 22.406,1285 18.514,1286 14.424,1287 0.437,1288 0.35,1289 8.929,1290 12.458,1291 8.449,1292 7.016,1293 15.942,1294 11.54,1295 13.353,1296 0.278,1297 0.208,1298 15.927,1299 9.961,1300 11.215,1301 0.173,1302 0.117,1303 13.606,1304 7.579,1305 9.603,1306 0.109,1307 0.064,1308 11.802,1309 5.666,1310 7.568,1311 0.07,1312 0.038,1313 9.972,1314 4.101,1315 0.317,1316 106.609,1317 0.215,1318 27.768,1319 0.6,1320 162,1321 546.489,1322 268.431,1323 589.814,1324 792.16,1325 546,1326 194,1327 517.966,1328 290.148,1329 585.61,1330 859.32,1331 545,1332 6.8}
{0 CHEMBL2018957,1 1.913,2 10.633,3 4.975,4 24.752,5 120.451,6 9.667,7 0.636,8 4.007,9 4.079,10 3.953,11 3.641,12 5.14,13 3.594,14 4.526,15 4.639,16 4.373,17 4.03,18 5.86,19 3.964,20 4.658,21 4.782,22 4.342,23 4.074,24 5.87,25 4.018,26 4.755,27 4.906,28 4.331,29 4.069,30 6.016,31 4.015,32 4.802,33 4.979,34 4.338,35 4.077,36 6.044,37 4.015,38 4.775,39 4.946,40 4.263,41 4.112,42 5.985,43 4.024,44 4.781,45 4.954,46 4.278,47 4.104,48 5.991,49 4.024,50 4.734,51 4.884,52 4.186,53 4.08,54 5.94,55 3.97,56 0.164,57 0.713,58 8.276,59 4.774,60 16.111,61 4.582,62 0.571,63 1.133,64 22.976,65 8.686,66 57.238,67 7.818,68 0.49,69 1.311,70 23.354,71 9.458,72 37.861,73 8.906,74 0.675,75 1.422,76 26.139,77 9.734,78 54.634,79 9.902,80 0.88,81 1.46,82 26.913,83 10.015,84 74.797,85 10.445,86 0.741,87 1.456,88 29.068,89 10.865,90 60.298,91 11.228,92 0.673,93 1.386,94 31.078,95 11.585,96 73.405,97 11.45,98 0.702,99 1.28,100 29.773,101 11.543,102 68.003,103 10.874,104 30,105 48,106 0.319,107 0.623,108 0.738,109 0.844,110 0.865,111 0.886,112 3.441,113 1.049,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 2,125 1,138 9,139 2,140 2,143 1,148 1,149 2,159 1,163 7,165 1,166 8,169 3,171 1,172 11,176 12,179 1,181 2,183 4,186 4,187 12,190 1,192 3,194 2,197 3,198 6,203 3,205 7,208 3,209 9,214 2,217 6,221 12,226 1,227 10,231 8,234 1,236 1,238 8,241 1,242 5,249 9,252 1496,253 20.16,254 20.16,255 20.16,256 20.16,257 20.16,258 17.385,259 24.647,260 11.612,261 21.141,262 16.186,263 16.186,264 16.186,265 16.186,266 16.186,267 11.8,268 33.294,269 5.359,270 17.712,271 3.672,272 1.855,273 1.167,274 0.531,275 0.406,276 0.281,277 4.132,280 1,282 1,283 1,284 684,285 3.808,287 144.877,288 172.116,291 122.55,295 1.591,296 37.724,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 319,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.683,319 3.372,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.078,328 2.967,329 5.838,330 3.676,331 2.703,332 3.677,333 0.522,334 8.144,335 2.631,336 3.86,337 2.896,338 5.537,339 3.311,340 2.418,341 3.424,343 7.355,344 2.217,345 3.726,346 2.702,347 5.365,348 3.249,349 2.375,350 3.158,352 6.797,353 1.999,354 3.391,355 2.416,356 5.116,357 2.974,358 2.038,359 2.735,361 6.01,362 1.896,363 3.317,364 2.153,365 4.973,366 2.889,367 1.943,368 2.581,370 5.779,371 1.816,372 2.8,373 1.65,374 4.517,375 2.367,376 1.419,377 1.892,379 4.108,380 1.339,381 2.774,382 1.613,383 4.439,384 2.239,385 1.349,386 1.874,388 3.874,389 1.185,390 2.659,391 1.311,392 3.732,393 2.173,394 1.187,395 1.73,397 2.796,398 1.169,399 2.63,400 1.216,401 3.495,402 2.125,403 1.176,404 1.675,406 2.615,407 1.035,408 2.179,409 0.953,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.64,418 0.935,419 3.143,420 1.344,421 0.471,422 0.532,424 0.77,425 0.407,426 1.584,427 0.796,428 3.002,429 1.294,430 0.429,431 0.481,433 0.625,434 0.368,435 1.229,436 0.244,437 2.71,438 0.922,439 -0.045,440 -0.055,442 -0.128,443 -0.043,444 14.914,445 0.497,446 0.851,447 0.028,448 41.75,449 1.392,450 22.5,451 0.75,452 19.25,453 0.642,454 24.775,455 0.826,456 31.886,457 0.664,458 33.137,459 1.105,460 8.189,461 0.273,462 6.219,463 0.207,464 0.16,465 0.056,466 0.295,472 0.636,473 1.181,474 0.676,475 1.052,476 0.674,477 0.846,478 0.951,479 0.948,480 0.62,481 0.691,482 0.636,483 0.713,484 1.051,485 1.308,486 0.962,487 1.151,488 1.008,489 1.016,490 0.93,491 1.264,492 0.749,493 0.968,494 0.988,495 1.025,496 0.887,497 0.971,498 0.691,499 0.794,500 0.938,501 0.88,502 0.838,503 0.99,504 0.91,505 0.945,506 0.758,507 0.93,508 1.113,509 0.885,510 0.856,511 0.895,512 1.328,513 0.831,514 1.256,515 0.908,516 1.12,517 1.051,518 1.352,519 1.043,520 7.5,521 0.189,522 3.556,523 2.979,524 1.851,525 1.404,526 0.851,527 0.528,528 0.483,529 0.28,530 10839,531 37657,532 2.059,533 37.5,535 17,538 1,542 1.735,543 1.905,544 3.372,545 -0.25,550 91.826,551 1.913,552 3.73,553 4.417,554 5.054,555 5.179,556 5.304,557 2.87,558 4.574,559 4.876,560 3.517,561 1529.9,562 8.545,563 20746.6,568 268.078,569 1.615,570 4.82,571 0.227,572 0.009,573 0.074,574 0.062,575 0.039,576 0.031,577 0.018,578 0.011,579 0.012,580 0.009,581 0.492,582 0.33,583 0.88,584 0.855,585 151.951,586 0.057,587 -0.074,588 0.121,589 -0.073,590 -0.15,591 0.008,592 0.045,593 0.119,594 0.214,595 0.255,596 0.204,597 0.159,598 -0.113,599 -0.242,600 -0.057,601 -0.179,602 -0.087,603 -0.121,604 0.042,605 -0.204,606 0.01,607 -0.115,608 0.015,609 -0.148,610 0.092,611 0.064,612 0.109,613 0.052,614 0.056,615 0.036,616 0.051,617 0.064,618 -0.033,619 0.012,620 0.104,621 0.02,622 -0.118,623 0.105,624 0.045,625 0.089,626 -0.085,627 0.149,628 -0.181,629 0.058,630 -0.143,631 -0.014,632 -0.172,633 -0.065,634 4.763,635 5.843,636 0.667,637 27.151,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.174,646 4.477,647 4.682,648 4.804,649 4.956,650 5.094,651 5.22,652 5.313,653 6.338,654 0.695,655 464,656 3.526,657 5.094,658 5.958,659 6.866,660 7.753,661 8.666,662 9.564,663 10.481,664 11.385,665 12.304,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 2,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,729 17,730 3,733 2,736 1,737 2,747 18,748 6,749 1,750 10,751 3,755 3,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 2,802 1,805 30,808 1,810 1,811 1,812 2,820 1,824 1,825 8.3,828 2,830 2,832 15.75,833 9.293,834 6.569,835 2.512,836 3.589,837 1.466,838 1.008,839 6.135,840 11.296,841 3.839,842 4.533,843 5.128,844 5.763,845 6.241,846 6.589,847 6.987,848 7.418,849 7.77,850 8.133,851 1,852 48,853 11.338,854 5.13,855 7.906,856 20.81,857 17.154,859 2.406,860 72.194,863 1,864 200.109,865 168.634,866 34.845,867 39.149,868 66.313,870 37.085,871 131.549,872 305.57,873 34.845,874 21.766,875 2.106,876 91.094,877 77.381,878 41.695,879 43.621,880 231.386,882 200.109,883 166.394,884 66.313,885 76.234,887 200.109,888 66.313,891 5.556,892 127.77,893 38.875,894 70.426,895 200.109,896 101.157,897 207.783,899 5.807,900 200.109,901 55.774,902 108.829,903 16.405,904 122.124,905 200.109,906 101.157,907 207.783,909 0.587,910 0.349,911 0.191,912 0.105,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 3.991,920 278.325,921 0.1,922 20,923 145.207,924 1,927 1,928 21.278,929 8.649,930 4.411,931 1.313,932 99.381,933 16.082,934 4.543,937 0.978,938 2.901,939 1.728,940 16.405,941 509.049,942 45.5,945 -3.846,946 25.687,952 49.16,953 53.438,954 0.343,955 0.668,956 0.791,957 0.905,958 0.927,959 0.95,960 5.089,961 1.419,962 5.989,963 5.779,964 4.575,965 5.22,966 1.505,967 6.872,968 4.42,969 6.354,970 1.349,971 7.597,972 4.108,973 4.369,974 5.338,976 8.08,977 4.11,978 7.721,979 1.187,980 9.316,981 3.874,982 6.279,983 7.606,984 1.205,985 11.151,986 5.989,987 9.132,988 1.176,989 11.103,990 2.796,991 6.889,992 8.549,994 13.192,995 6.491,996 10.579,997 0.687,998 12.936,999 2.615,1000 8.318,1001 10.338,1002 0.978,1003 15.86,1004 7.889,1005 12.051,1006 0.471,1007 14.801,1008 1.671,1009 9.276,1010 11.63,1012 18.206,1013 8.746,1014 13.543,1015 0.429,1016 16.691,1017 0.77,1018 10.547,1019 13.257,1020 0.792,1021 20.762,1022 9.971,1023 3.431,1024 -0.045,1025 18.6,1026 0.625,1027 11.652,1028 14.698,1030 23.216,1031 10.984,1032 3.227,1033 12.608,1034 20.523,1035 -0.128,1036 12.873,1037 16.269,1038 0.636,1039 25.74,1040 12.146,1041 2.703,1042 11.652,1043 22.458,1044 4.768,1045 14.039,1046 17.771,1048 28.232,1049 13.228,1050 2.418,1051 8.144,1052 24.401,1053 4.632,1054 15.249,1055 19.325,1056 0.504,1057 30.748,1058 14.37,1059 2.375,1060 7.355,1061 26.352,1062 3.677,1063 16.441,1064 20.854,1066 33.254,1067 15.483,1068 2.038,1069 6.797,1070 28.308,1071 3.424,1072 17.65,1073 22.403,1074 0.395,1075 35.77,1076 16.621,1077 1.943,1078 6.01,1079 30.269,1080 3.158,1081 18.855,1082 23.944,1084 38.283,1085 17.749,1086 10470,1087 19790,1088 21.671,1089 35.08,1090 49.799,1091 51.336,1092 51.92,1093 49.732,1094 49.704,1095 68.355,1096 4.483,1097 149.607,1098 45.606,1099 5.73,1100 6.689,1101 6.914,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.175,1107 5.193,1108 15.959,1109 1.509,1110 1.556,1111 1.573,1112 1.507,1113 1.506,1114 2.071,1115 0.136,1116 4.534,1117 1.382,1118 4.168,1119 4.191,1120 4.793,1121 4.13,1122 7.717,1123 4.062,1124 3.999,1125 3.964,1126 4.168,1127 3.983,1128 6.999,1129 3.926,1130 3.89,1131 3.91,1132 4.077,1133 3.824,1134 5.051,1135 3.822,1136 3.56,1137 3.554,1138 3.831,1139 3.528,1140 4.886,1141 3.423,1142 3.431,1143 3.469,1144 3.362,1145 3.222,1146 4.851,1147 3.236,1148 3.25,1149 3.313,1150 3.17,1151 3.005,1152 4.608,1153 3.007,1154 3.217,1155 3.282,1156 3.083,1157 2.969,1158 4.368,1159 2.981,1160 3.033,1161 3.085,1162 3.062,1163 2.884,1164 4.259,1165 2.871,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.347,1178 0.097,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.955,1185 1.936,1186 2.044,1187 2.059,1188 1.216,1189 2.055,1190 1.884,1191 1.869,1192 1.974,1193 1.977,1194 1.109,1195 1.985,1196 1.728,1197 1.777,1198 1.62,1199 1.834,1200 0.939,1201 1.878,1202 1.425,1203 1.405,1204 1.601,1205 1.652,1206 0.707,1207 1.638,1208 1.377,1209 1.334,1210 1.57,1211 1.509,1212 0.605,1213 1.529,1214 1.2,1215 1.135,1216 1.51,1217 1.5,1218 0.574,1219 1.527,1220 1.166,1221 1.091,1222 1.338,1223 1.442,1224 0.561,1225 1.475,1226 1.11,1227 1.064,1228 1.099,1229 1.222,1230 0.368,1231 1.255,1232 4.205,1233 5.557,1234 3.045,1235 7.096,1236 5.416,1237 8.721,1238 7.535,1239 10.394,1241 3.141,1242 5.908,1247 0.424,1248 2.582,1249 10.753,1257 33.34,1258 91.826,1259 179.02,1260 212.039,1261 242.568,1262 248.568,1263 254.568,1264 60.417,1265 7.706,1266 82.45,1267 119.07,1268 22,1269 12.816,1270 4.585,1271 3.755,1272 46.7,1273 112,1274 124,1275 0.203,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.617,1284 22.406,1285 18.514,1286 14.407,1287 0.437,1288 0.35,1289 8.923,1290 12.437,1291 8.439,1292 7.01,1293 15.925,1294 11.534,1295 13.447,1296 0.28,1297 0.208,1298 16.021,1299 10.001,1300 11.124,1301 0.174,1302 0.118,1303 13.514,1304 7.533,1305 9.497,1306 0.109,1307 0.065,1308 11.696,1309 5.615,1310 7.532,1311 0.07,1312 0.038,1313 9.936,1314 4.099,1315 0.312,1316 106.508,1317 0.215,1318 27.878,1319 0.583,1320 162,1321 546.489,1322 268.431,1323 590.057,1324 791.62,1325 546,1326 193,1327 516.966,1328 288.815,1329 584.986,1330 856.71,1331 544,1332 6.85}
{0 CHEMBL2018958,1 1.913,2 11.267,3 4.975,4 24.752,5 120.451,6 9.667,7 0.636,8 4.007,9 4.079,10 3.953,11 3.641,12 5.14,13 3.594,14 4.526,15 4.639,16 4.373,17 4.03,18 5.859,19 3.964,20 4.658,21 4.782,22 4.342,23 4.074,24 5.874,25 4.018,26 4.755,27 4.906,28 4.316,29 4.068,30 6.016,31 4.009,32 4.792,33 4.981,34 4.319,35 4.066,36 6.022,37 3.997,38 4.751,39 4.924,40 4.239,41 4.087,42 5.957,43 4,44 4.713,45 4.859,46 4.25,47 4.083,48 5.958,49 3.997,50 4.745,51 4.917,52 4.165,53 4.051,54 5.92,55 3.939,56 0.164,57 0.713,58 8.276,59 4.774,60 16.111,61 4.582,62 0.571,63 1.133,64 22.976,65 8.686,66 57.23,67 7.818,68 0.49,69 1.311,70 23.354,71 9.458,72 37.847,73 8.906,74 0.688,75 1.422,76 26.037,77 9.728,78 54.844,79 9.85,80 0.803,81 1.457,82 27.466,83 10.103,84 72.912,85 10.915,86 0.777,87 1.411,88 29.509,89 10.679,90 62.047,91 10.841,92 0.607,93 1.296,94 26.29,95 10.801,96 67.664,97 10.485,98 0.696,99 1.295,100 32.634,101 11.893,102 68.342,103 11.505,104 30,105 48,106 0.319,107 0.623,108 0.728,109 0.82,110 0.837,111 0.858,112 3.441,113 1.049,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 2,125 1,138 9,139 2,140 2,143 1,148 1,149 2,159 1,163 7,165 1,166 8,169 3,171 1,172 11,176 12,179 1,181 2,183 4,186 4,187 13,190 1,192 3,194 2,197 2,198 6,203 3,205 7,208 3,209 8,214 2,217 8,220 1,221 10,226 2,227 9,231 10,238 8,242 6,245 1,249 8,252 1524,253 20.16,254 20.16,255 20.16,256 20.16,257 20.16,258 17.385,259 24.647,260 11.575,261 21.141,262 16.169,263 16.169,264 16.169,265 16.169,266 16.169,267 11.794,268 31.986,269 5.338,270 17.698,271 3.672,272 1.855,273 1.225,274 0.672,275 0.573,276 0.448,277 4.132,280 1,282 1,283 1,284 725,285 3.808,287 147.102,288 173.506,291 124.897,295 1.684,296 37.489,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 338,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.682,319 3.372,320 6.925,321 4.168,322 3.226,323 4.632,324 0.86,325 11.651,326 2.971,327 4.047,328 2.928,329 5.828,330 3.643,331 2.669,332 3.643,333 0.522,334 8.046,335 2.603,336 3.86,337 2.895,338 5.446,339 3.328,340 2.419,341 3.424,343 7.129,344 2.234,345 3.737,346 2.732,347 5.365,348 3.249,349 2.391,350 3.166,352 6.797,353 2.007,354 3.436,355 2.458,356 5.118,357 3.048,358 2.103,359 2.746,361 6.19,362 1.967,363 3.371,364 2.165,365 5.1,366 2.902,367 1.963,368 2.707,370 5.986,371 1.82,372 2.799,373 1.648,374 4.531,375 2.355,376 1.412,377 1.889,379 4.141,380 1.325,381 2.754,382 1.613,383 4.44,384 2.237,385 1.346,386 1.845,388 3.874,389 1.184,390 2.644,391 1.232,392 3.732,393 2.125,394 1.177,395 1.693,397 2.792,398 1.036,399 2.5,400 1.135,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.179,409 1,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.748,418 0.949,419 3.143,420 1.472,421 0.592,422 0.661,424 1.014,425 0.514,426 1.627,427 0.796,428 3.063,429 1.33,430 0.457,431 0.518,433 0.728,434 0.395,435 1.19,436 0.299,437 2.749,438 0.901,439 -0.038,440 -0.046,442 -0.085,443 -0.036,444 14.914,445 0.497,446 0.851,447 0.028,448 41.75,449 1.392,450 22.5,451 0.75,452 19.25,453 0.642,454 24.628,455 0.821,456 31.886,457 0.664,458 33.003,459 1.1,460 8.189,461 0.273,462 6.219,463 0.207,464 0.16,465 0.056,466 0.295,472 0.636,473 1.181,474 0.676,475 1.052,476 0.674,477 0.846,478 0.951,479 0.948,480 0.62,481 0.691,482 0.636,483 0.713,484 1.051,485 1.308,486 0.962,487 1.151,488 1.002,489 1.016,490 0.945,491 1.264,492 0.77,493 0.972,494 1.003,495 1.049,496 0.781,497 0.986,498 0.66,499 0.805,500 0.898,501 0.87,502 0.912,503 0.898,504 0.924,505 0.886,506 0.806,507 0.866,508 1.071,509 1.021,510 0.931,511 1.034,512 1.404,513 0.995,514 1.23,515 0.876,516 1.066,517 0.992,518 1.297,519 0.951,520 7.5,521 0.172,522 3.778,523 2.729,524 1.931,525 1.404,526 0.89,527 0.485,528 0.503,529 0.269,530 11039,531 38409,532 2.059,533 37.5,535 17,538 1,542 1.734,543 1.905,544 3.424,545 -0.25,550 91.826,551 1.913,552 3.73,553 4.36,554 4.913,555 5.012,556 5.137,557 2.927,558 4.387,559 4.873,560 3.573,561 1554.41,562 8.535,563 21099.7,568 268.078,569 1.615,570 4.82,571 0.227,572 0.008,573 0.079,574 0.057,575 0.041,576 0.031,577 0.02,578 0.011,579 0.013,580 0.009,581 0.496,582 0.33,583 0.88,584 0.855,585 152.442,586 0.057,587 -0.074,588 0.121,589 -0.073,590 -0.15,591 0.008,592 0.045,593 0.119,594 0.214,595 0.255,596 0.204,597 0.159,598 -0.113,599 -0.242,600 -0.057,601 -0.179,602 -0.08,603 -0.121,604 0.026,605 -0.204,606 -0.012,607 -0.118,609 -0.174,610 0.116,611 0.048,612 0.151,613 0.048,614 0.083,615 0.07,616 0.023,617 0.153,618 -0.028,619 0.084,620 0.083,621 0.088,622 -0.088,623 -0.03,624 -0.043,625 -0.043,626 -0.108,627 -0.041,628 -0.177,629 0.084,630 -0.06,631 0.053,632 -0.131,633 0.06,634 4.758,635 5.833,636 0.667,637 28.227,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.174,646 4.466,647 4.682,648 4.804,649 4.949,650 5.088,651 5.209,652 5.313,653 6.491,654 0.695,655 464,656 3.526,657 5.094,658 5.958,659 6.864,660 7.751,661 8.663,662 9.561,663 10.476,664 11.38,665 12.298,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 2,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,729 17,730 3,733 2,736 1,737 2,747 18,748 6,749 1,750 10,751 3,755 3,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 2,802 1,805 30,808 1,810 1,811 1,812 2,820 1,824 1,825 8.3,828 2,830 2,832 15.75,833 9.293,834 6.569,835 2.512,836 3.573,837 1.464,838 1.008,839 6.135,840 11.279,841 3.839,842 4.533,843 5.128,844 5.756,845 6.246,846 6.589,847 6.982,848 7.415,849 7.766,850 8.141,851 0.875,852 48,853 11.335,854 5.126,855 7.906,856 20.81,857 17.154,859 2.406,860 72.194,863 1,864 200.109,865 168.634,866 34.845,867 39.149,868 66.313,870 37.085,871 131.549,872 305.57,873 34.845,874 21.766,875 2.106,876 91.094,877 77.381,878 41.695,879 43.621,880 231.386,882 200.109,883 166.394,884 66.313,885 76.234,887 200.109,888 66.313,891 5.556,892 127.77,893 38.875,894 70.426,895 200.109,896 101.157,897 207.783,899 5.807,900 200.109,901 55.774,902 108.829,903 16.405,904 122.124,905 200.109,906 101.157,907 207.783,909 0.588,910 0.349,911 0.188,912 0.104,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 4.014,920 276.927,921 0.1,922 20,923 141.207,924 1,927 1,928 21.278,929 8.649,930 4.411,931 1.326,932 99.381,933 16.08,934 4.54,937 0.979,938 2.968,939 1.735,940 16.405,941 509.049,942 45.5,945 -3.841,946 25.666,952 49.16,953 53.438,954 0.343,955 0.668,956 0.781,957 0.88,958 0.897,959 0.92,960 5.089,961 1.412,962 5.989,963 5.986,964 4.575,965 5.22,966 1.505,967 6.87,968 4.42,969 6.354,970 1.346,971 7.597,972 4.141,973 4.369,974 5.338,976 8.08,977 4.11,978 7.721,979 1.177,980 9.316,981 3.874,982 6.279,983 7.606,984 1.205,985 11.145,986 5.989,987 9.132,988 1,989 11.102,990 2.792,991 6.889,992 8.549,994 13.189,995 6.491,996 10.578,997 0.687,998 12.934,999 2.275,1000 8.317,1001 10.337,1002 0.978,1003 15.855,1004 7.887,1005 12.05,1006 0.592,1007 14.799,1008 1.671,1009 9.274,1010 11.629,1012 18.203,1013 8.742,1014 13.542,1015 0.457,1016 16.689,1017 1.014,1018 10.544,1019 13.255,1020 0.792,1021 20.759,1022 9.966,1023 3.431,1024 -0.038,1025 18.597,1026 0.728,1027 11.648,1028 14.695,1030 23.214,1031 10.978,1032 3.226,1033 12.608,1034 20.52,1035 -0.085,1036 12.869,1037 16.266,1038 0.636,1039 25.739,1040 12.14,1041 2.669,1042 11.651,1043 22.455,1044 4.768,1045 14.035,1046 17.769,1048 28.23,1049 13.221,1050 2.419,1051 8.046,1052 24.399,1053 4.632,1054 15.244,1055 19.323,1056 0.504,1057 30.747,1058 14.364,1059 2.391,1060 7.129,1061 26.349,1062 3.643,1063 16.437,1064 20.852,1066 33.254,1067 15.476,1068 2.103,1069 6.797,1070 28.306,1071 3.424,1072 17.646,1073 22.402,1074 0.395,1075 35.769,1076 16.615,1077 1.963,1078 6.19,1079 30.267,1080 3.166,1081 18.851,1082 23.942,1084 38.282,1085 17.743,1086 10658,1087 20154,1088 21.671,1089 35.08,1090 49.927,1091 51.246,1092 51.968,1093 49.819,1094 49.745,1095 68.421,1096 4.483,1097 149.805,1098 45.651,1099 5.73,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.174,1107 5.193,1108 16.052,1109 1.513,1110 1.553,1111 1.575,1112 1.51,1113 1.507,1114 2.073,1115 0.136,1116 4.54,1117 1.383,1118 4.168,1119 4.191,1120 4.793,1121 4.13,1122 7.717,1123 4.062,1124 3.998,1125 3.964,1126 4.168,1127 3.983,1128 6.999,1129 3.926,1130 3.89,1131 3.91,1132 4.077,1133 3.824,1134 5.051,1135 3.822,1136 3.56,1137 3.555,1138 3.831,1139 3.528,1140 4.886,1141 3.423,1142 3.437,1143 3.474,1144 3.367,1145 3.226,1146 4.853,1147 3.242,1148 3.251,1149 3.314,1150 3.171,1151 3.014,1152 4.609,1153 3.016,1154 3.212,1155 3.274,1156 3.096,1157 2.97,1158 4.358,1159 2.982,1160 2.987,1161 3.05,1162 3.062,1163 2.804,1164 4.258,1165 2.785,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.347,1178 0.097,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.955,1185 1.936,1186 2.045,1187 2.059,1188 1.216,1189 2.056,1190 1.884,1191 1.869,1192 1.974,1193 1.977,1194 1.109,1195 1.985,1196 1.728,1197 1.777,1198 1.622,1199 1.834,1200 0.939,1201 1.878,1202 1.426,1203 1.405,1204 1.604,1205 1.656,1206 0.708,1207 1.643,1208 1.379,1209 1.339,1210 1.57,1211 1.509,1212 0.605,1213 1.529,1214 1.203,1215 1.141,1216 1.488,1217 1.499,1218 0.575,1219 1.527,1220 1.157,1221 1.09,1222 1.331,1223 1.429,1224 0.551,1225 1.459,1226 1.09,1227 1.026,1228 1.181,1229 1.213,1230 0.367,1231 1.247,1232 4.205,1233 5.557,1234 3.045,1235 7.096,1236 5.416,1237 8.72,1238 7.535,1239 10.391,1241 3.147,1242 5.906,1247 0.445,1248 2.582,1249 10.662,1257 33.34,1258 91.826,1259 179.02,1260 209.284,1261 235.814,1262 240.568,1263 246.568,1264 60.196,1265 7.706,1266 82.45,1267 119.07,1268 22,1269 12.811,1270 4.585,1271 3.755,1272 46.771,1273 114,1274 144,1275 0.2,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.617,1284 22.406,1285 18.514,1286 14.407,1287 0.437,1288 0.35,1289 8.923,1290 12.437,1291 8.44,1292 7.008,1293 15.925,1294 11.534,1295 13.435,1296 0.28,1297 0.208,1298 16.009,1299 9.997,1300 11.199,1301 0.175,1302 0.118,1303 13.589,1304 7.558,1305 9.385,1306 0.109,1307 0.065,1308 11.585,1309 5.575,1310 7.499,1311 0.07,1312 0.038,1313 9.902,1314 4.084,1315 0.308,1316 106.508,1317 0.215,1318 27.997,1319 0.566,1320 162,1321 546.489,1322 268.431,1323 589.992,1324 791.6,1325 546,1326 193,1327 516.966,1328 288.815,1329 584.851,1330 856.45,1331 544,1332 6.6}
{0 CHEMBL2018959,1 1.911,2 11.406,3 4.959,4 24.589,5 126.914,6 9.501,7 0.6,8 4.087,9 4.158,10 4.006,11 3.684,12 5.228,13 3.647,14 4.611,15 4.729,16 4.421,17 4.067,18 5.924,19 4.014,20 4.718,21 4.828,22 4.424,23 4.129,24 5.956,25 4.089,26 4.849,27 4.988,28 4.414,29 4.156,30 6.111,31 4.113,32 4.935,33 5.111,34 4.396,35 4.176,36 6.149,37 4.113,38 4.901,39 5.083,40 4.311,41 4.197,42 6.068,43 4.1,44 4.897,45 5.088,46 4.337,47 4.167,48 6.067,49 4.085,50 4.834,51 4.997,52 4.277,53 4.136,54 6.022,55 4.045,56 0.192,57 0.769,58 9.316,59 5.269,60 16.891,61 5.08,62 0.696,63 1.204,64 26.176,65 9.456,66 64.216,67 8.497,68 0.613,69 1.374,70 24.266,71 9.854,72 40.354,73 9.365,74 0.767,75 1.53,76 27.693,77 10.536,78 57.543,79 10.709,80 1.077,81 1.613,82 31.026,83 11.349,84 84.436,85 11.88,86 0.891,87 1.608,88 33.557,89 12.378,90 67.57,91 13.431,92 0.815,93 1.526,94 36.609,95 12.992,96 82.074,97 13.751,98 0.826,99 1.406,100 34.037,101 12.348,102 73.311,103 12.018,104 46,105 51,106 0.315,107 0.614,108 0.716,109 0.807,110 0.829,111 0.861,112 3.503,113 1.034,114 -3.66,115 -3.63,116 -3.45,119 40.4,124 3,125 1,138 8,139 2,140 3,143 1,148 1,149 2,159 1,163 6,165 1,166 8,169 3,171 1,172 9,175 1,176 14,179 1,181 2,183 3,186 4,187 13,190 1,192 3,194 2,197 3,198 5,203 3,205 7,208 4,209 8,214 2,217 6,220 1,221 12,226 1,227 8,231 10,234 1,238 7,241 1,242 5,245 1,249 8,252 1734,253 21.53,254 21.53,255 21.53,256 21.53,257 21.53,258 18.755,259 27.566,260 12.284,261 22.677,262 17.085,263 17.085,264 17.085,265 17.085,266 17.085,267 12.611,268 36.583,269 5.551,270 18.783,271 3.789,272 1.968,273 1.347,274 0.794,275 0.664,276 0.467,277 4.192,280 1,283 1,284 777,285 4,287 158.161,288 188.207,291 134.876,295 1.719,296 41.808,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 70.833,308 365,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.683,319 3.375,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.265,328 3.205,329 6.168,330 3.851,331 2.898,332 3.911,333 0.86,334 9.142,335 2.762,336 3.86,337 2.896,338 5.812,339 3.4,340 2.458,341 3.424,342 0.522,343 7.932,344 2.312,345 3.775,346 2.783,347 5.365,348 3.249,349 2.416,350 3.193,352 6.797,353 2.03,354 3.48,355 2.46,356 5.223,357 3.082,358 2.13,359 2.805,361 6.44,362 1.985,363 3.375,364 2.194,365 5.116,366 2.903,367 1.965,368 2.727,370 5.992,371 1.82,372 2.919,373 2.144,374 4.542,375 2.521,376 1.609,377 2.057,379 4.218,380 1.461,381 2.799,382 1.637,383 4.441,384 2.354,385 1.409,386 1.889,388 4.049,389 1.324,390 2.753,391 1.612,392 4.357,393 2.237,394 1.346,395 1.845,397 3.874,398 1.184,399 2.644,400 1.228,401 3.732,402 2.125,403 1.177,404 1.693,406 2.792,407 1.036,408 2.179,409 1.109,410 3.283,411 1.616,412 0.716,413 1.019,415 1.671,416 0.637,417 1.927,418 0.951,419 3.143,420 1.56,421 0.687,422 0.841,424 1.335,425 0.578,426 1.639,427 0.933,428 3.129,429 1.343,430 0.471,431 0.532,433 0.766,434 0.407,435 1.482,436 0.796,437 2.943,438 1.216,439 0.359,440 0.392,442 0.502,443 0.305,444 15.748,445 0.492,446 0.902,447 0.028,448 43.75,449 1.367,450 23,451 0.719,452 20.75,453 0.648,454 27.657,455 0.864,456 34.652,457 0.666,458 36.241,459 1.133,460 8.688,461 0.272,462 6.668,463 0.208,464 0.183,465 0.053,466 0.311,472 0.688,473 1.239,474 0.679,475 1.094,476 0.686,477 0.881,478 1.064,479 0.895,480 0.624,481 0.643,482 0.684,483 0.649,484 1.001,485 1.319,486 0.949,487 1.155,488 0.997,489 1,490 0.978,491 1.294,492 0.77,493 1,494 0.99,495 1.059,496 0.997,497 0.972,498 0.744,499 0.803,500 0.961,501 0.935,502 0.764,503 1,504 0.894,505 0.951,506 0.736,507 0.978,508 0.946,509 0.888,510 0.794,511 0.866,512 1.213,513 0.803,514 1.199,515 0.875,516 1.054,517 0.973,518 1.292,519 0.932,520 8,521 0.267,522 4.222,523 3.167,524 2.162,525 1.522,526 0.931,527 0.589,528 0.58,529 0.355,530 12881,531 45647,532 2.037,533 38.5,535 19,538 1,542 1.751,543 1.873,544 3.467,545 -0.248,550 99.381,551 1.911,552 3.733,553 4.354,554 4.907,555 5.036,556 5.234,557 2.941,558 4.812,559 4.969,560 3.619,561 1794.95,562 8.727,563 25578.8,568 296.423,569 1.646,570 4.907,571 0.229,572 0.01,573 0.083,574 0.06,575 0.041,576 0.031,577 0.019,578 0.012,579 0.013,580 0.01,581 0.506,582 0.33,583 0.88,584 0.929,585 166.048,586 0.033,587 -0.109,588 0.122,589 -0.089,590 -0.146,591 -0.005,592 -0.023,593 0.175,594 0.229,595 0.318,596 0.178,597 0.238,598 -0.053,599 -0.231,600 -0.051,601 -0.17,602 -0.063,603 -0.111,604 -0.013,605 -0.229,606 -0.026,607 -0.145,608 -0.002,609 -0.188,610 -0.005,611 0.049,612 0.046,613 0.04,614 0.004,615 -0.019,616 0.07,617 0.037,618 -0.023,619 0.002,620 0.093,621 -0.005,622 -0.033,623 0.095,624 0.116,625 0.113,626 -0.028,627 0.204,628 -0.167,629 0.117,630 -0.075,631 0.052,632 -0.14,633 0.049,634 4.789,635 5.9,636 0.625,637 30.824,638 1.026,639 1.117,640 2.427,641 5.892,642 0.717,643 3.584,644 3.951,645 4.248,646 4.543,647 4.745,648 4.868,649 5.017,650 5.165,651 5.308,652 5.434,653 6.737,654 0.684,655 494.03,656 3.584,657 5.153,658 6.023,659 6.932,660 7.824,661 8.737,662 9.637,663 10.553,664 11.458,665 12.376,666 5.8,671 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 3,702 1,703 52,705 23,706 2,707 35,709 55,710 21,711 17,712 6,713 6,717 4,718 5,719 1,729 17,730 4,733 2,736 1,737 2,747 20,748 7,749 1,750 11,751 3,755 3,760 0.75,761 5,769 1,775 2,776 2,779 1,796 3,799 2,801 3,802 1,805 32,808 1,810 1,811 1,812 3,820 1,824 1,825 9.6,828 2,830 3,832 17.083,833 10.376,834 7.097,835 2.672,836 3.619,837 1.461,838 0.993,839 6.856,840 11.477,841 3.882,842 4.575,843 5.18,844 5.807,845 6.289,846 6.641,847 7.032,848 7.465,849 7.835,850 8.228,851 0.875,852 53,853 12.078,854 5.419,855 7.918,856 22.119,857 18.046,859 2.418,860 77.361,864 223.651,865 175.284,866 34.845,867 39.149,868 77.313,870 37.085,871 138.199,872 340.112,873 34.845,874 32.649,875 2.106,876 81.617,877 77.381,878 57.938,879 43.621,880 254.929,882 223.651,883 173.044,884 77.313,885 76.234,887 223.651,888 77.313,891 5.556,892 134.42,893 38.875,894 70.426,895 223.651,896 112.157,897 214.433,899 5.807,900 223.651,901 61.018,902 110.236,903 16.405,904 133.124,905 223.651,906 112.157,907 214.433,909 0.586,910 0.357,911 0.197,912 0.105,913 25,914 12,915 0.145,916 8,917 1,918 1.1,919 4.114,920 303.594,921 0.1,922 20,923 158,924 1,927 1,928 23.168,929 9.469,930 4.716,931 1.266,932 110.381,933 13.979,934 4.555,937 0.97,938 3.257,939 1.707,940 16.405,941 550.241,942 47.5,945 -3.872,946 25.8,952 53.371,953 58.063,954 0.335,955 0.655,956 0.764,957 0.861,958 0.884,959 0.918,960 5.137,961 1.609,962 6.057,963 5.992,964 4.635,965 5.263,966 1.789,967 6.948,968 4.473,969 6.403,970 1.409,971 7.673,972 4.218,973 4.443,974 5.4,976 8.16,977 4.186,978 7.774,979 1.346,980 9.397,981 4.049,982 6.347,983 7.653,984 1.488,985 11.228,986 6.051,987 9.188,988 1.177,989 11.187,990 3.874,991 6.967,992 8.607,994 13.258,995 6.571,996 10.637,997 0.716,998 13.02,999 2.792,1000 8.39,1001 10.385,1002 1.243,1003 15.919,1004 7.957,1005 12.11,1006 0.687,1007 14.884,1008 1.671,1009 9.351,1010 11.68,1012 18.252,1013 8.821,1014 13.602,1015 0.471,1016 16.771,1017 1.335,1018 10.616,1019 13.299,1020 1.032,1021 20.8,1022 10.038,1023 3.431,1024 0.359,1025 18.675,1026 0.766,1027 11.718,1028 14.738,1030 23.244,1031 11.052,1032 3.227,1033 12.608,1034 20.592,1035 0.502,1036 12.934,1037 16.304,1038 0.846,1039 25.763,1040 12.209,1041 2.898,1042 11.652,1043 22.521,1044 4.768,1045 14.096,1046 17.803,1048 28.249,1049 13.289,1050 2.458,1051 9.142,1052 24.459,1053 4.632,1054 15.3,1055 19.353,1056 0.685,1057 30.761,1058 14.427,1059 2.416,1060 7.932,1061 26.404,1062 3.911,1063 16.488,1064 20.879,1066 33.264,1067 15.536,1068 2.13,1069 6.797,1070 28.354,1071 3.424,1072 17.692,1073 22.425,1074 0.546,1075 35.777,1076 16.67,1077 1.965,1078 6.44,1079 30.31,1080 3.193,1081 18.893,1082 23.963,1084 38.288,1085 17.794,1086 12517,1087 23839,1088 22.77,1089 37.295,1090 52.611,1091 54.466,1092 55.576,1093 52.606,1094 52.597,1095 71.458,1096 6.203,1097 159.541,1098 48.013,1099 5.73,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.175,1107 5.193,1108 18.428,1109 1.503,1110 1.556,1111 1.588,1112 1.503,1113 1.503,1114 2.042,1115 0.177,1116 4.558,1117 1.372,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.063,1124 3.999,1125 3.964,1126 4.168,1127 3.983,1128 6.999,1129 3.926,1130 3.903,1131 3.915,1132 4.079,1133 3.826,1134 5.054,1135 3.829,1136 3.56,1137 3.556,1138 3.856,1139 3.528,1140 4.916,1141 3.423,1142 3.446,1143 3.48,1144 3.375,1145 3.23,1146 4.884,1147 3.248,1148 3.252,1149 3.314,1150 3.172,1151 3.022,1152 4.61,1153 3.025,1154 3.247,1155 3.313,1156 3.106,1157 2.973,1158 4.496,1159 2.985,1160 3.21,1161 3.27,1162 3.062,1163 2.95,1164 4.301,1165 2.959,1166 0.139,1167 0.134,1168 0.209,1169 0.124,1170 0.098,1171 4.882,1172 0.136,1173 4.689,1174 0.025,1175 7.322,1176 0.36,1177 4.347,1178 0.091,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.953,1185 1.936,1186 2.035,1187 2.06,1188 1.217,1189 2.054,1190 1.881,1191 1.87,1192 1.965,1193 1.981,1194 1.11,1195 1.984,1196 1.728,1197 1.777,1198 1.625,1199 1.837,1200 0.939,1201 1.879,1202 1.427,1203 1.406,1204 1.607,1205 1.663,1206 0.709,1207 1.65,1208 1.382,1209 1.345,1210 1.576,1211 1.524,1212 0.605,1213 1.54,1214 1.206,1215 1.146,1216 1.569,1217 1.504,1218 0.575,1219 1.527,1220 1.191,1221 1.115,1222 1.47,1223 1.497,1224 0.573,1225 1.525,1226 1.155,1227 1.09,1228 1.328,1229 1.416,1230 0.541,1231 1.444,1232 4.263,1233 5.617,1234 3.045,1235 7.162,1236 5.416,1237 8.794,1238 7.535,1239 10.474,1241 4.668,1242 5.92,1247 0.372,1248 2.58,1249 16.16,1257 35.581,1258 99.381,1259 194.104,1260 226.384,1261 255.139,1262 261.894,1263 272.158,1264 68.19,1265 7.858,1266 91.68,1267 128.3,1268 22,1269 12.888,1270 4.585,1271 3.755,1272 51.561,1273 129,1274 138,1275 0.197,1276 227.248,1277 384.24,1278 546.246,1279 26795,1280 1.9,1281 22.88,1282 0.715,1283 0.62,1284 23.984,1285 19.845,1286 15.356,1287 0.439,1288 0.345,1289 9.41,1290 13.237,1291 8.883,1292 7.395,1293 16.874,1294 12.063,1295 14.156,1296 0.278,1297 0.203,1298 16.73,1299 10.338,1300 11.952,1301 0.173,1302 0.114,1303 14.343,1304 7.846,1305 10.185,1306 0.11,1307 0.063,1308 12.385,1309 5.823,1310 8.024,1311 0.07,1312 0.037,1313 10.427,1314 4.239,1315 0.304,1316 113.315,1317 0.21,1318 29.472,1319 0.558,1320 172,1321 602.225,1322 281.31,1323 636.278,1324 852.61,1325 590,1326 206,1327 558.512,1328 305.248,1329 626.501,1330 918.1,1331 581,1332 7.67}
{0 CHEMBL2018960,1 1.913,2 10.033,3 4.387,4 19.246,5 120.804,6 9.667,7 0.636,8 4.007,9 4.08,10 3.947,11 3.65,12 5.151,13 3.6,14 4.52,15 4.629,16 4.37,17 4.051,18 5.867,19 3.978,20 4.687,21 4.822,22 4.355,23 4.105,24 5.892,25 4.042,26 4.791,27 4.939,28 4.354,29 4.096,30 6.075,31 4.042,32 4.861,33 5.052,34 4.36,35 4.089,36 6.123,37 4.031,38 4.796,39 4.975,40 4.287,41 4.126,42 6.035,43 4.048,44 4.766,45 4.911,46 4.297,47 4.143,48 6.025,49 4.062,50 4.782,51 4.939,52 4.22,53 4.115,54 5.993,55 3.994,56 0.18,57 0.714,58 8.451,59 4.775,60 21.785,61 4.546,62 0.532,63 1.14,64 21.914,65 8.625,66 60.522,67 7.919,68 0.465,69 1.354,70 24.472,71 9.893,72 41.344,73 9.803,74 0.677,75 1.468,76 26.197,77 10.076,78 60.993,79 10.279,80 0.968,81 1.544,82 30.266,83 10.641,84 91.175,85 11.107,86 0.813,87 1.491,88 30.968,89 10.913,90 72.481,91 11.111,92 0.597,93 1.364,94 26.924,95 11.291,96 72.938,97 10.973,98 0.701,99 1.343,100 29.943,101 12.083,102 75.37,103 11.731,104 30,105 48,106 0.319,107 0.652,108 0.772,109 0.865,110 0.888,111 0.895,112 3.441,113 1.054,114 -4.19,115 -4.13,116 -3.9,119 41.7,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,159 1,163 9,165 1,166 6,169 3,171 2,172 13,176 10,179 1,181 4,183 5,186 4,187 12,190 1,192 5,194 2,197 2,198 7,201 1,203 4,205 7,208 2,209 9,212 1,214 2,217 8,221 10,226 4,227 11,231 8,235 1,236 2,238 9,242 6,245 1,247 1,249 9,252 1468,253 20.212,254 20.212,255 20.212,256 20.212,257 20.212,258 17.409,259 23.482,260 11.652,261 21.035,262 16.174,263 16.174,264 16.174,265 16.174,266 16.174,267 11.778,268 30.923,269 5.342,270 17.553,271 3.672,272 1.681,273 0.959,274 0.406,275 0.266,276 0.224,277 4.132,280 1,282 1,283 1,284 645,285 3.808,287 142.968,288 170.907,291 120.565,295 1.507,296 41.289,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.833,308 301,309 4.882,310 4.689,311 7.322,312 4.348,313 3.432,314 4.768,315 0.86,316 12.608,317 3.195,318 4.684,319 3.38,320 6.926,321 4.171,322 3.229,323 4.632,324 0.765,325 11.655,326 2.975,327 4.198,328 3.093,329 6.163,330 3.832,331 2.84,332 3.806,333 0.522,334 9.115,335 2.815,336 3.86,337 2.896,338 5.742,339 3.289,340 2.418,341 3.424,343 7.617,344 2.202,345 3.71,346 2.642,347 5.365,348 3.248,349 2.35,350 3.145,352 6.797,353 1.997,354 3.383,355 2.259,356 5.116,357 2.916,358 1.986,359 2.733,361 6.001,362 1.826,363 2.959,364 1.983,365 4.658,366 2.613,367 1.641,368 2.12,370 4.651,371 1.591,372 2.917,373 1.65,374 4.447,375 2.474,376 1.486,377 2.078,379 3.875,380 1.468,381 2.797,382 1.613,383 4.276,384 2.263,385 1.36,386 1.887,388 3.714,389 1.237,390 2.692,391 1.433,392 3.73,393 2.228,394 1.274,395 1.775,397 3.008,398 1.184,399 2.638,400 1.219,401 3.615,402 2.125,403 1.176,404 1.682,406 2.777,407 1.035,408 2.179,409 0.954,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.739,418 0.938,419 3.143,420 1.462,421 0.54,422 0.628,424 0.933,425 0.491,426 1.627,427 0.796,428 3.002,429 1.332,430 0.456,431 0.517,433 0.725,434 0.396,435 1.193,436 0.286,437 2.735,438 0.902,439 -0.038,440 -0.046,442 -0.085,443 -0.036,444 14.914,445 0.497,446 0.834,447 0.028,448 41,449 1.367,450 22,451 0.733,452 19,453 0.633,454 25.396,455 0.847,456 31.886,457 0.664,458 32.879,459 1.096,460 8.016,461 0.267,462 6.408,463 0.214,464 0.148,465 0.056,466 0.295,472 0.665,473 1.117,474 0.688,475 0.999,476 0.752,477 0.813,478 0.842,479 0.986,480 0.63,481 0.73,482 0.679,483 0.776,484 0.902,485 1.288,486 0.91,487 1.135,488 0.863,489 1.003,490 0.931,491 1.332,492 0.751,493 1.015,494 0.952,495 1.081,496 0.952,497 0.932,498 0.671,499 0.741,500 0.975,501 0.821,502 0.918,503 0.84,504 0.89,505 0.825,506 0.754,507 0.801,508 1.095,509 1.025,510 0.908,511 1.028,512 1.254,513 0.995,514 1.179,515 0.949,516 1.066,517 1.058,518 1.224,519 1.089,520 7,521 0.107,522 4,523 2.854,524 1.931,525 1.404,526 0.947,527 0.519,528 0.513,529 0.31,530 10639,531 37361,532 2.059,533 37.5,535 16,538 2,542 1.736,543 1.905,544 3.305,545 0.309,547 1,550 91.826,551 1.913,552 3.904,553 4.626,554 5.179,555 5.319,556 5.361,557 2.766,558 4.507,559 4.877,560 3.467,561 1507.94,562 8.552,563 20387.2,568 268.078,569 1.615,570 4.82,571 0.212,572 0.005,573 0.083,574 0.058,575 0.039,576 0.03,577 0.02,578 0.011,579 0.013,580 0.01,581 0.481,582 0.33,583 0.88,584 0.855,585 151.432,586 0.028,587 -0.009,588 0.108,589 -0.019,590 -0.166,591 0.042,592 0.068,593 0.087,594 0.186,595 0.21,596 0.137,597 0.094,598 -0.052,599 -0.233,600 -0.013,601 -0.167,602 -0.042,603 -0.083,604 0.043,605 -0.281,606 -0.006,607 -0.169,608 0.005,609 -0.208,610 0.069,611 0.102,612 0.139,613 0.102,614 0.023,615 0.106,616 0.009,617 0.229,618 -0.009,619 0.126,620 0.078,621 0.146,622 -0.127,623 -0.041,624 -0.049,625 -0.054,626 -0.107,627 -0.046,628 -0.144,629 0.006,630 -0.105,631 -0.033,632 -0.145,633 -0.101,634 4.785,635 5.844,636 0.667,637 26.342,638 1.024,639 1.113,640 2.957,641 8.744,642 0.731,643 3.526,644 3.892,645 4.19,646 4.489,647 4.691,648 4.812,649 4.97,650 5.118,651 5.236,652 5.313,653 6.197,654 0.695,655 464,656 3.526,657 5.094,658 5.964,659 6.872,660 7.764,661 8.678,662 9.58,663 10.498,664 11.405,665 12.325,666 6.3,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 48,705 23,706 2,707 33,709 51,710 20,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 17,730 3,733 2,736 1,737 2,744 1,747 18,748 6,749 2,750 10,751 3,755 3,760 0.75,761 4,762 1,769 1,775 2,776 2,779 1,794 1,796 3,799 2,801 1,802 1,805 30,808 1,809 1,810 2,811 1,812 1,820 1,824 1,825 8.3,826 1,828 2,830 1,832 15.75,833 8.826,834 6.597,835 2.535,836 3.64,837 1.472,838 0.994,839 6.135,840 11.346,841 3.839,842 4.533,843 5.137,844 5.765,845 6.244,846 6.59,847 6.995,848 7.429,849 7.77,850 8.123,851 0.857,852 49,853 11.369,854 5.2,855 7.973,856 20.793,857 17.332,859 2.473,860 74.194,863 1,864 188.338,865 155.693,866 34.845,867 39.149,868 97.996,870 37.085,871 118.608,872 325.482,873 34.845,874 10.883,875 2.106,876 133.777,877 77.381,878 28.637,879 43.621,880 219.615,882 188.338,883 153.453,884 97.996,885 76.234,887 188.338,888 55.313,889 42.683,891 5.556,892 114.829,893 38.875,894 70.426,895 188.338,896 132.841,897 194.842,899 5.807,900 188.338,901 53.716,902 97.946,903 16.405,904 153.808,905 188.338,906 132.841,907 194.842,909 0.586,910 0.354,911 0.196,912 0.105,913 24,914 11,915 0.137,916 7,917 1,918 1.1,919 3.962,920 280.288,921 0.1,922 20,923 145.207,924 1,927 1,928 21.278,929 8.649,930 4.272,931 1.247,932 131.064,933 15.849,934 4.523,937 0.965,938 2.787,939 1.686,940 59.088,941 516.02,942 45.5,945 -3.869,946 25.688,952 49.16,953 53.438,954 0.343,955 0.699,956 0.828,957 0.927,958 0.952,959 0.96,960 5.089,961 1.486,962 5.994,963 4.651,964 4.575,965 5.22,966 1.433,967 6.887,968 4.434,969 6.354,970 1.36,971 7.609,972 3.875,973 4.369,974 5.338,976 8.113,977 4.129,978 7.723,979 1.274,980 9.337,981 3.714,982 6.286,983 7.611,984 1.074,985 11.188,986 6.021,987 9.137,988 1.176,989 11.132,990 3.008,991 6.909,992 8.562,994 13.235,995 6.544,996 10.587,997 0.687,998 12.972,999 2.777,1000 8.34,1001 10.35,1002 0.811,1003 15.9,1004 7.945,1005 12.063,1006 0.54,1007 14.843,1008 1.671,1009 9.307,1010 11.648,1012 18.242,1013 8.82,1014 13.559,1015 0.456,1016 16.737,1017 0.933,1018 10.578,1019 13.273,1020 0.612,1021 20.793,1022 10.044,1023 3.432,1024 -0.038,1025 18.647,1026 0.725,1027 11.686,1028 14.714,1030 23.24,1031 11.067,1032 3.229,1033 12.608,1034 20.57,1035 -0.085,1036 12.906,1037 16.284,1038 0.459,1039 25.76,1040 12.228,1041 2.84,1042 11.655,1043 22.503,1044 4.768,1045 14.072,1046 17.786,1048 28.247,1049 13.312,1050 2.418,1051 9.115,1052 24.444,1053 4.632,1054 15.279,1055 19.338,1056 0.342,1057 30.76,1058 14.453,1059 2.35,1060 7.617,1061 26.392,1062 3.806,1063 16.47,1064 20.865,1066 33.264,1067 15.565,1068 1.986,1069 6.797,1070 28.345,1071 3.424,1072 17.676,1073 22.413,1074 0.254,1075 35.777,1076 16.7,1077 1.641,1078 6.001,1079 30.302,1080 3.145,1081 18.879,1082 23.952,1084 38.289,1085 17.825,1086 10283,1087 19527,1088 21.671,1089 35.08,1090 49.925,1091 51.252,1092 52.12,1093 49.845,1094 49.748,1095 68.429,1096 4.293,1097 150.293,1098 45.978,1099 5.731,1100 6.689,1101 7.016,1102 5.52,1103 5.432,1104 7.768,1105 1.72,1106 20.175,1107 5.195,1108 15.854,1109 1.513,1110 1.553,1111 1.579,1112 1.51,1113 1.508,1114 2.074,1115 0.13,1116 4.554,1117 1.393,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.967,1126 4.168,1127 3.986,1128 6.999,1129 3.927,1130 3.905,1131 3.926,1132 4.079,1133 3.851,1134 6.457,1135 3.846,1136 3.56,1137 3.554,1138 3.843,1139 3.528,1140 5.047,1141 3.423,1142 3.421,1143 3.462,1144 3.354,1145 3.217,1146 4.885,1147 3.229,1148 3.236,1149 3.29,1150 3.168,1151 3.031,1152 4.704,1153 3.031,1154 3.223,1155 3.285,1156 3.079,1157 2.991,1158 4.593,1159 2.995,1160 3.045,1161 3.092,1162 3.065,1163 2.901,1164 4.26,1165 2.891,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.348,1178 0.097,1179 3.432,1180 4.768,1181 0.86,1182 12.608,1183 3.195,1184 1.965,1185 1.943,1186 2.064,1187 2.065,1188 1.248,1189 2.064,1190 1.901,1191 1.887,1192 1.985,1193 1.985,1194 1.138,1195 1.995,1196 1.729,1197 1.778,1198 1.618,1199 1.835,1200 0.941,1201 1.881,1202 1.424,1203 1.405,1204 1.592,1205 1.644,1206 0.724,1207 1.63,1208 1.374,1209 1.327,1210 1.532,1211 1.501,1212 0.605,1213 1.527,1214 1.192,1215 1.139,1216 1.472,1217 1.463,1218 0.578,1219 1.491,1220 1.173,1221 1.095,1222 1.339,1223 1.453,1224 0.57,1225 1.462,1226 1.116,1227 1.082,1228 1.095,1229 1.225,1230 0.368,1231 1.257,1232 4.205,1233 5.557,1234 3.045,1235 7.101,1236 5.416,1237 8.733,1238 7.535,1239 10.412,1241 1.518,1242 5.901,1246 9.627,1247 0.254,1248 2.563,1249 5.454,1257 33.34,1258 91.826,1259 187.368,1260 222.039,1261 248.568,1262 255.323,1263 257.323,1264 65.272,1265 7.706,1266 93.45,1267 130.07,1268 22,1269 12.836,1270 4.585,1271 3.755,1272 46.647,1273 110,1274 114,1275 0.208,1276 213.66,1277 358.15,1278 513.09,1279 22227,1280 2.1,1281 21.303,1282 0.71,1283 0.609,1284 22.406,1285 18.26,1286 14.424,1287 0.437,1288 0.351,1289 9.007,1290 12.529,1291 8.56,1292 7.075,1293 15.942,1294 11.598,1295 13.353,1296 0.278,1297 0.21,1298 15.927,1299 10.076,1300 11.215,1301 0.173,1302 0.118,1303 13.606,1304 7.675,1305 9.603,1306 0.109,1307 0.065,1308 11.802,1309 5.699,1310 7.568,1311 0.07,1312 0.038,1313 9.972,1314 4.13,1315 0.317,1316 106.201,1317 0.215,1318 27.768,1319 0.6,1320 162,1321 534.904,1322 266.992,1323 582.264,1324 778.72,1325 538,1326 194,1327 502.936,1328 288.487,1329 571.301,1330 840.32,1331 533,1332 6.545}
{0 CHEMBL2018961,1 1.902,2 10.633,3 4.097,4 16.789,5 122.461,6 9.449,7 0.636,8 4.021,9 4.109,10 3.945,11 3.662,12 5.144,13 3.607,14 4.535,15 4.658,16 4.369,17 4.066,18 5.854,19 3.986,20 4.708,21 4.855,22 4.341,23 4.115,24 5.89,25 4.041,26 4.798,27 4.969,28 4.329,29 4.096,30 6.039,31 4.03,32 4.81,33 4.995,34 4.339,35 4.091,36 6.049,37 4.023,38 4.813,39 5.008,40 4.257,41 4.123,42 6,43 4.031,44 4.778,45 4.951,46 4.273,47 4.129,48 5.998,49 4.041,50 4.758,51 4.917,52 4.182,53 4.116,54 5.946,55 3.993,56 0.159,57 0.76,58 9.233,59 4.746,60 20.32,61 4.775,62 0.479,63 1.194,64 23.118,65 8.719,66 56.782,67 8.492,68 0.42,69 1.403,70 26.102,71 10.14,72 38.184,73 10.506,74 0.647,75 1.503,76 29.159,77 10.191,78 59.995,79 11.013,80 0.747,81 1.499,82 27.338,83 10.026,84 73.973,85 11.006,86 0.74,87 1.532,88 32.531,89 11.139,90 67.379,91 11.859,92 0.608,93 1.415,94 30.46,95 11.362,96 74.173,97 11.514,98 0.572,99 1.343,100 30.451,101 11.837,102 65.644,103 11.78,104 30,105 48,106 0.316,107 0.637,108 0.76,109 0.87,110 0.884,111 0.891,112 3.441,113 1.062,114 -4.19,115 -4.13,116 -3.9,119 40.8,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,156 1,157 1,158 1,159 1,163 9,165 1,166 6,169 3,171 2,172 13,174 1,176 10,179 1,181 4,183 5,185 2,186 4,187 12,190 1,192 5,194 2,196 2,197 2,198 7,203 4,205 7,207 1,208 2,209 9,211 1,212 1,214 2,217 8,221 10,223 1,224 1,226 2,227 11,231 8,236 3,238 9,240 2,242 6,246 1,247 1,248 1,249 9,251 1,252 1496,253 20.16,254 20.16,255 20.16,256 20.16,257 20.16,258 17.385,259 25.553,260 11.612,261 20.972,262 16.186,263 16.186,264 16.186,265 16.186,266 16.186,267 11.8,268 36.029,269 5.359,270 17.545,271 3.712,272 1.785,273 1.047,274 0.383,275 0.301,276 0.26,277 4.132,280 1,282 1,283 1,284 684,285 3.808,287 144.877,288 172.116,291 122.55,295 1.591,296 37.701,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 65.333,308 319,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.683,319 3.372,320 6.925,321 4.168,322 3.227,323 4.632,324 0.522,325 11.652,326 2.971,327 4.078,328 2.931,329 5.838,330 3.695,331 2.703,332 3.677,333 0.522,334 8.144,335 2.682,336 3.86,337 2.895,338 5.537,339 3.325,340 2.418,341 3.424,343 7.355,344 2.252,345 3.726,346 2.659,347 5.365,348 3.249,349 2.375,350 3.158,352 6.797,353 2.004,354 3.391,355 2.381,356 5.116,357 2.999,358 2.038,359 2.735,361 6.01,362 1.953,363 3.317,364 2.142,365 4.973,366 2.895,367 1.943,368 2.581,370 5.779,371 1.819,372 2.8,373 1.637,374 4.517,375 2.373,376 1.419,377 1.892,379 4.108,380 1.349,381 2.774,382 1.613,383 4.439,384 2.239,385 1.349,386 1.874,388 3.874,389 1.185,390 2.659,391 1.276,392 3.732,393 2.178,394 1.187,395 1.73,397 2.796,398 1.175,399 2.63,400 1.213,401 3.495,402 2.125,403 1.176,404 1.675,406 2.615,407 1.035,408 2.179,409 0.953,410 3.283,411 1.56,412 0.687,413 1.019,415 1.671,416 0.578,417 1.64,418 0.796,419 3.143,420 1.377,421 0.471,422 0.532,424 0.77,425 0.412,426 1.584,427 0.698,428 3.002,429 1.342,430 0.429,431 0.481,433 0.625,434 0.399,435 1.229,436 0.243,437 2.71,438 0.922,439 -0.045,440 -0.055,442 -0.128,443 -0.043,444 14.981,445 0.499,446 0.851,447 0.028,448 41,449 1.367,450 22,451 0.733,452 19,453 0.633,454 25.334,455 0.844,456 31.819,457 0.649,458 32.578,459 1.086,460 7.96,461 0.265,462 6.448,463 0.215,464 0.152,465 0.056,466 0.294,472 0.635,473 1.105,474 0.692,475 0.988,476 0.743,477 0.809,478 0.803,479 0.979,480 0.619,481 0.737,482 0.62,483 0.778,484 0.942,485 1.292,486 0.912,487 1.148,488 0.913,489 1.024,490 0.929,491 1.211,492 0.726,493 0.934,494 0.961,495 0.988,496 0.874,497 1.064,498 0.682,499 0.857,500 0.908,501 0.923,502 0.951,503 0.85,504 0.89,505 0.848,506 0.784,507 0.828,508 1.174,509 0.849,510 0.884,511 0.903,512 1.323,513 0.86,514 1.265,515 1.015,516 1.106,517 1.103,518 1.293,519 1.098,520 7.5,521 0.189,522 3.556,523 2.979,524 1.851,525 1.404,526 0.851,527 0.528,528 0.483,529 0.28,530 10839,531 36123,532 2.059,533 38.8,535 16,538 3,542 1.735,543 1.905,544 3.372,545 0.966,547 1,550 93.217,551 1.902,552 3.83,553 4.568,554 5.232,555 5.314,556 5.354,557 2.87,558 4.574,559 4.876,560 3.517,561 1529.9,562 8.545,563 20746.6,568 275.121,569 1.615,570 4.82,571 0.227,572 0.009,573 0.074,574 0.062,575 0.039,576 0.031,577 0.018,578 0.011,579 0.012,580 0.009,581 0.492,582 0.33,583 0.88,584 0.855,585 151.951,586 0.047,587 0.036,588 0.114,589 -0.007,590 -0.182,591 0.055,592 0.124,593 0.097,594 0.204,595 0.207,596 0.197,597 0.105,598 -0.04,599 -0.252,600 -0.008,601 -0.172,602 -0.042,603 -0.095,604 0.081,605 -0.171,606 0.041,607 -0.077,608 0.026,609 -0.095,610 0.121,611 -0.044,612 0.111,613 -0.012,614 0.07,615 -0.011,616 0.02,617 0.194,618 -0.001,619 0.108,620 0.08,621 0.124,622 -0.124,623 0.142,624 0.005,625 0.08,626 -0.09,627 0.1,628 -0.194,629 -0.061,630 -0.144,631 -0.069,632 -0.155,633 -0.117,634 4.76,635 5.846,636 0.667,637 27.151,638 1.019,639 1.117,640 2.957,641 8.744,642 0.727,643 3.526,644 3.892,645 4.174,646 4.477,647 4.682,648 4.804,649 4.956,650 5.094,651 5.22,652 5.313,653 6.338,654 0.687,655 463.02,656 3.526,657 5.094,658 5.958,659 6.866,660 7.753,661 8.666,662 9.564,663 10.481,664 11.385,665 12.304,666 8.2,667 1,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 49,705 23,706 2,707 33,709 52,710 20,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 17,730 3,733 2,736 1,737 2,744 1,747 19,748 6,749 3,750 10,751 3,755 4,760 0.75,761 3,769 1,775 2,776 2,779 1,790 1,796 3,799 2,801 1,802 1,805 30,806 1,808 1,810 2,811 1,812 1,820 1,824 1,825 6.1,828 2,830 1,832 15.75,833 8.96,834 6.569,835 2.595,836 3.589,837 1.466,838 1.023,839 6.135,840 11.296,841 3.839,842 4.533,843 5.128,844 5.763,845 6.241,846 6.589,847 6.987,848 7.418,849 7.77,850 8.133,851 1,852 48,853 11.347,854 5.16,855 7.906,856 20.884,857 17.403,859 2.406,860 72.194,863 1,864 188.338,865 157.799,866 67.742,867 39.149,868 55.313,870 37.085,871 120.714,872 282.799,873 67.742,874 10.883,875 37.109,876 91.094,877 77.381,878 28.637,879 43.621,880 219.615,882 188.338,883 188.455,884 55.313,885 76.234,887 188.338,888 55.313,891 40.559,892 114.829,893 38.875,894 70.426,895 188.338,896 123.055,897 196.947,899 5.807,900 188.338,901 55.822,902 97.946,903 16.405,904 144.022,905 188.338,906 123.055,907 196.947,909 0.587,910 0.349,911 0.191,912 0.105,913 24,914 11,915 0.135,916 7,917 1,918 1.1,919 3.991,920 278.325,921 0.1,922 20,923 145.207,924 1,927 1,928 21.278,929 8.649,930 4.411,931 1.329,932 121.278,933 16.364,934 4.553,937 0.98,938 3.24,939 1.743,940 49.302,941 508.34,942 45.5,945 -3.843,946 25.692,952 49.934,953 54.727,954 0.339,955 0.682,956 0.814,957 0.932,958 0.946,959 0.954,960 5.089,961 1.419,962 5.989,963 5.779,964 4.575,965 5.22,966 1.272,967 6.872,968 4.436,969 6.354,970 1.349,971 7.597,972 4.108,973 4.369,974 5.338,976 8.08,977 4.129,978 7.721,979 1.187,980 9.316,981 3.874,982 6.279,983 7.606,984 0.871,985 11.151,986 6.014,987 9.132,988 1.176,989 11.103,990 2.796,991 6.889,992 8.549,994 13.192,995 6.517,996 10.579,997 0.687,998 12.936,999 2.615,1000 8.318,1001 10.338,1002 0.636,1003 15.86,1004 7.916,1005 12.051,1006 0.471,1007 14.801,1008 1.671,1009 9.276,1010 11.63,1012 18.206,1013 8.772,1014 13.543,1015 0.429,1016 16.691,1017 0.77,1018 10.547,1019 13.257,1020 0.483,1021 20.762,1022 9.996,1023 3.431,1024 -0.045,1025 18.6,1026 0.625,1027 11.652,1028 14.698,1030 23.216,1031 11.007,1032 3.227,1033 12.608,1034 20.523,1035 -0.128,1036 12.873,1037 16.269,1038 0.371,1039 25.74,1040 12.169,1041 2.703,1042 11.652,1043 22.458,1044 4.768,1045 14.039,1046 17.771,1048 28.232,1049 13.248,1050 2.418,1051 8.144,1052 24.401,1053 4.632,1054 15.249,1055 19.325,1056 0.284,1057 30.748,1058 14.389,1059 2.375,1060 7.355,1061 26.352,1062 3.677,1063 16.441,1064 20.854,1066 33.254,1067 15.5,1068 2.038,1069 6.797,1070 28.308,1071 3.424,1072 17.65,1073 22.403,1074 0.217,1075 35.77,1076 16.637,1077 1.943,1078 6.01,1079 30.269,1080 3.158,1081 18.855,1082 23.944,1084 38.283,1085 17.763,1086 10470,1087 19414,1088 21.671,1089 35.631,1090 49.799,1091 51.053,1092 51.92,1093 49.778,1094 49.704,1095 68.355,1096 3.806,1097 149.607,1098 46.016,1099 5.73,1100 6.689,1101 6.914,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.175,1107 5.193,1108 15.959,1109 1.509,1110 1.547,1111 1.573,1112 1.508,1113 1.506,1114 2.071,1115 0.115,1116 4.534,1117 1.394,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.063,1124 3.999,1125 3.968,1126 4.168,1127 3.986,1128 6.999,1129 3.927,1130 3.908,1131 3.933,1132 4.078,1133 3.854,1134 5.061,1135 3.848,1136 3.56,1137 3.557,1138 3.844,1139 3.528,1140 5.016,1141 3.423,1142 3.447,1143 3.497,1144 3.369,1145 3.249,1146 4.885,1147 3.259,1148 3.289,1149 3.373,1150 3.173,1151 3.079,1152 4.673,1153 3.078,1154 3.219,1155 3.285,1156 3.132,1157 2.986,1158 4.584,1159 2.992,1160 3.028,1161 3.082,1162 3.064,1163 2.883,1164 4.26,1165 2.87,1166 0.148,1167 0.142,1168 0.222,1169 0.132,1170 0.104,1171 4.882,1172 0.144,1173 4.689,1174 0.026,1175 7.322,1176 0.382,1177 4.347,1178 0.097,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.965,1185 1.942,1186 2.068,1187 2.065,1188 1.24,1189 2.066,1190 1.904,1191 1.888,1192 1.988,1193 1.989,1194 1.14,1195 1.999,1196 1.73,1197 1.778,1198 1.643,1199 1.84,1200 0.943,1201 1.883,1202 1.439,1203 1.406,1204 1.609,1205 1.671,1206 0.803,1207 1.668,1208 1.396,1209 1.358,1210 1.568,1211 1.536,1212 0.606,1213 1.545,1214 1.248,1215 1.176,1216 1.478,1217 1.5,1218 0.577,1219 1.527,1220 1.167,1221 1.091,1222 1.336,1223 1.441,1224 0.534,1225 1.469,1226 1.107,1227 1.06,1228 1.084,1229 1.221,1230 0.368,1231 1.254,1232 4.205,1233 5.557,1234 3.045,1235 7.096,1236 5.416,1237 8.721,1238 7.535,1239 10.394,1241 1.536,1242 5.909,1245 5.747,1247 0.889,1248 2.586,1249 5.469,1257 33.646,1258 93.217,1259 187.656,1260 223.837,1261 256.366,1262 260.366,1263 262.366,1264 61.992,1265 7.706,1266 99.24,1267 135.86,1268 22,1269 12.816,1270 4.585,1271 3.755,1272 46.7,1273 112,1274 124,1275 0.203,1276 216.458,1277 360.36,1278 519.917,1279 22227,1280 2,1281 21.303,1282 0.71,1283 0.613,1284 22.406,1285 18.39,1286 14.407,1287 0.437,1288 0.354,1289 9.101,1290 12.551,1291 8.645,1292 7.164,1293 15.925,1294 11.684,1295 13.447,1296 0.28,1297 0.212,1298 16.021,1299 10.173,1300 11.124,1301 0.174,1302 0.119,1303 13.514,1304 7.626,1305 9.497,1306 0.109,1307 0.066,1308 11.696,1309 5.699,1310 7.532,1311 0.07,1312 0.039,1313 9.936,1314 4.142,1315 0.312,1316 105.746,1317 0.215,1318 27.878,1319 0.583,1320 162,1321 512.066,1322 266.246,1323 565.459,1324 760.34,1325 522,1326 193,1327 496.843,1328 286.824,1329 565.912,1330 831.11,1331 528,1332 7.02}
{0 CHEMBL2018962,1 1.928,2 11.406,3 4.2,4 17.637,5 127.465,6 9.628,7 0.6,8 4.062,9 4.143,10 3.992,11 3.693,12 5.215,13 3.648,14 4.576,15 4.698,16 4.416,17 4.089,18 5.933,19 4.022,20 4.739,21 4.872,22 4.403,23 4.141,24 5.999,25 4.088,26 4.835,27 4.985,28 4.392,29 4.13,30 6.153,31 4.087,32 4.844,33 5.012,34 4.401,35 4.144,36 6.127,37 4.09,38 4.883,39 5.069,40 4.314,41 4.187,42 6.094,43 4.098,44 4.838,45 5.005,46 4.332,47 4.181,48 6.083,49 4.097,50 4.838,51 5.013,52 4.268,53 4.15,54 6.045,55 4.049,56 0.177,57 0.784,58 8.737,59 4.908,60 17.786,61 4.762,62 0.575,63 1.236,64 23.277,65 8.862,66 59.437,67 8.37,68 0.511,69 1.427,70 25.387,71 10.222,72 46.6,73 10.021,74 0.806,75 1.53,76 28.269,77 10.197,78 80.925,79 9.987,80 0.815,81 1.546,82 25.577,83 10.127,84 77.565,85 10.603,86 0.895,87 1.615,88 33.297,89 11.881,90 78.764,91 12.382,92 0.705,93 1.489,94 30.63,95 12.048,96 82.833,97 12.247,98 0.738,99 1.443,100 34.524,101 12.652,102 77.475,103 12.557,104 42,105 51,106 0.317,107 0.659,108 0.791,109 0.883,110 0.89,111 0.89,112 3.503,113 1.039,114 -3.99,115 -3.94,116 -3.74,119 41.2,124 2,125 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 7,169 4,171 2,172 13,176 12,179 1,181 4,183 5,186 4,187 14,190 1,192 5,194 2,197 2,198 8,203 4,205 7,208 3,209 9,212 1,214 2,217 8,220 1,221 10,224 1,226 2,227 11,231 10,236 3,238 9,242 7,245 1,246 1,247 1,249 9,252 1742,253 21.367,254 21.367,255 21.367,256 21.367,257 21.367,258 18.5,259 24.691,260 12.255,261 22.227,262 17.147,263 17.147,264 17.147,265 17.147,266 17.147,267 12.555,268 30.527,269 5.639,270 18.499,271 3.744,272 1.668,273 0.864,274 0.304,275 0.265,276 0.265,277 4.192,280 1,283 1,284 777,285 4.183,287 156.463,288 187.725,291 133.072,295 1.719,296 44.377,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 70.333,308 365,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.058,316 12.608,317 3.193,318 4.683,319 3.554,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.214,328 3.37,329 6.063,330 3.85,331 2.846,332 3.804,333 0.522,334 8.765,335 2.852,336 3.86,337 2.896,338 5.809,339 3.437,340 2.471,341 3.424,343 7.907,344 2.392,345 3.792,346 2.848,347 5.366,348 3.249,349 2.417,350 3.195,352 6.798,353 2.097,354 3.565,355 2.527,356 5.242,357 3.149,358 2.182,359 2.906,361 6.474,362 1.994,363 3.38,364 2.203,365 5.116,366 2.908,367 1.973,368 2.731,370 5.993,371 1.822,372 2.917,373 1.888,374 4.548,375 2.502,376 1.525,377 2.036,379 4.216,380 1.484,381 2.797,382 1.613,383 4.442,384 2.282,385 1.362,386 1.887,388 3.874,389 1.259,390 2.707,391 1.569,392 4.064,393 2.234,394 1.3,395 1.783,397 3.376,398 1.184,399 2.641,400 1.227,401 3.727,402 2.125,403 1.176,404 1.685,406 2.786,407 1.089,408 2.566,409 1.175,410 3.472,411 2.092,412 1.099,413 1.565,415 2.476,416 1.035,417 2.179,418 1.086,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.64,427 0.953,428 3.143,429 1.343,430 0.469,431 0.531,433 0.768,434 0.406,435 1.471,436 0.796,437 2.992,438 1.177,439 0.188,440 0.223,442 0.25,443 0.183,444 15.814,445 0.494,446 0.94,447 0.029,448 44,449 1.375,450 23.5,451 0.734,452 20.5,453 0.641,454 26.968,455 0.843,456 33.986,457 0.666,458 36.892,459 1.153,460 8.666,461 0.271,462 6.652,463 0.208,464 0.172,465 0.053,466 0.31,472 0.608,473 1.184,474 0.681,475 1.024,476 0.633,477 0.832,478 0.767,479 0.942,480 0.611,481 0.707,482 0.58,483 0.737,484 0.99,485 1.293,486 0.921,487 1.15,488 0.963,489 1.006,490 1.129,491 1.185,492 0.783,493 0.915,494 1.207,495 0.98,496 0.879,497 1.099,498 0.713,499 0.896,500 0.89,501 0.973,502 0.915,503 0.863,504 0.91,505 0.867,506 0.817,507 0.887,508 0.998,509 0.934,510 0.877,511 0.965,512 1.097,513 0.939,514 1.177,515 0.924,516 1.023,517 0.985,518 1.114,519 0.94,520 8,521 0.259,522 4.222,523 3.104,524 1.971,525 1.494,526 0.932,527 0.559,528 0.564,529 0.344,530 12905,531 46052,532 2.037,533 37.3,535 17,538 2,542 1.751,543 1.873,544 3.47,545 0.301,547 1,550 98.344,551 1.928,552 4.005,553 4.809,554 5.368,555 5.408,556 5.408,557 2.941,558 4.75,559 4.969,560 3.619,561 1795.15,562 8.728,563 25616.3,568 289.294,569 1.646,570 4.907,571 0.229,572 0.009,573 0.083,574 0.06,575 0.038,576 0.03,577 0.019,578 0.011,579 0.013,580 0.009,581 0.5,582 0.33,583 0.88,584 1.015,585 166.091,586 0.04,587 -0.049,588 0.113,589 -0.043,590 -0.128,591 0.026,592 0.123,593 0.147,594 0.217,595 0.238,596 0.177,597 0.143,598 -0.078,599 -0.248,600 -0.017,601 -0.171,602 -0.053,603 -0.087,604 -0.051,605 -0.138,606 -0.018,607 -0.057,608 -0.085,609 -0.111,610 0.062,611 -0.069,612 0.069,613 -0.052,614 0.017,615 -0.067,616 0.013,617 0.169,618 -0.026,619 0.089,620 0.027,621 0.079,622 -0.053,623 0.048,624 0.008,625 0.018,626 -0.05,627 0.04,628 -0.159,629 0.032,630 -0.039,631 0.048,632 -0.096,633 0.071,634 4.807,635 5.885,636 0.625,637 30.84,638 1.025,639 1.116,640 2.762,641 7.63,642 0.727,643 3.584,644 3.951,645 4.234,646 4.522,647 4.727,648 4.852,649 5.011,650 5.147,651 5.278,652 5.398,653 6.743,654 0.693,655 491.03,656 3.584,657 5.153,658 6.019,659 6.925,660 7.812,661 8.724,662 9.621,663 10.536,664 11.439,665 12.356,666 7.8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,692 1,701 1,702 1,703 51,705 24,706 2,707 35,709 54,710 21,711 17,712 5,713 7,714 1,717 4,718 5,719 1,729 18,730 3,733 3,736 1,737 3,741 1,747 19,748 7,749 2,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 2,802 1,805 32,808 1,810 1,811 2,812 1,820 1,824 1,825 7.8,828 3,830 1,832 17.083,833 9.793,834 7.014,835 2.72,836 3.719,837 1.473,838 1.008,839 6.649,840 11.575,841 3.902,842 4.585,843 5.18,844 5.8,845 6.284,846 6.635,847 7.046,848 7.457,849 7.82,850 8.21,851 0.875,852 52,853 12.111,854 5.509,855 7.996,856 22.06,857 18.192,859 2.496,860 79.861,864 200.109,865 168.794,866 52.855,867 39.149,868 80.458,870 37.085,871 131.709,872 319.715,873 52.855,874 19.279,875 20.116,876 91.094,877 107.231,878 28.637,879 43.621,880 231.386,882 200.109,883 184.564,884 80.458,885 76.234,887 200.109,888 80.458,891 23.566,892 127.93,893 38.875,894 70.426,895 200.109,896 133.313,897 207.943,899 5.807,900 200.109,901 58.421,902 106.342,903 34.416,904 136.269,905 200.109,906 133.313,907 207.943,909 0.589,910 0.352,911 0.188,912 0.102,913 25,914 12,915 0.13,916 7,917 1,918 1.1,919 4.123,920 302.863,921 0.1,922 20,923 158,924 1,927 1,928 22.892,929 9.294,930 4.752,931 1.209,932 131.537,933 15.481,934 4.523,937 0.956,938 2.43,939 1.667,940 34.416,941 541.365,942 48.5,945 -3.89,946 37.745,950 -0.193,952 52.262,953 56.936,954 0.34,955 0.706,956 0.848,957 0.946,958 0.953,959 0.953,960 5.155,961 1.525,962 6.052,963 5.993,964 4.635,965 5.273,966 1.661,967 6.936,968 4.507,969 6.42,970 1.362,971 7.664,972 4.216,973 4.443,974 5.394,976 8.139,977 4.229,978 7.786,979 1.3,980 9.386,981 3.874,982 6.34,983 7.648,984 1.558,985 11.209,986 6.098,987 9.195,988 1.176,989 11.174,990 3.376,991 6.957,992 8.591,994 13.238,995 6.624,996 10.64,997 1.099,998 13.005,999 2.786,1000 8.38,1001 10.372,1002 1.539,1003 15.901,1004 8.013,1005 12.109,1006 0.687,1007 14.869,1008 2.476,1009 9.337,1010 11.662,1012 18.236,1013 8.881,1014 13.599,1015 0.469,1016 16.755,1017 1.671,1018 10.602,1019 13.283,1020 1.559,1021 20.787,1022 10.098,1023 3.431,1024 0.188,1025 18.659,1026 0.768,1027 11.703,1028 14.721,1030 23.233,1031 11.113,1032 3.227,1033 12.608,1034 20.577,1035 0.25,1036 12.919,1037 16.288,1038 1.603,1039 25.753,1040 12.269,1041 2.846,1042 11.652,1043 22.507,1044 4.768,1045 14.081,1046 17.788,1048 28.241,1049 13.348,1050 2.471,1051 8.765,1052 24.445,1053 4.632,1054 15.286,1055 19.339,1056 1.663,1057 30.755,1058 14.484,1059 2.417,1060 7.907,1061 26.391,1062 3.804,1063 16.474,1064 20.866,1066 33.259,1067 15.592,1068 2.182,1069 6.798,1070 28.342,1071 3.424,1072 17.679,1073 22.414,1074 1.734,1075 35.773,1076 16.724,1077 1.973,1078 6.474,1079 30.298,1080 3.195,1081 18.88,1082 23.952,1084 38.285,1085 17.846,1086 12536,1087 23950,1088 22.77,1089 37.085,1090 53.015,1091 55.436,1092 55.599,1093 52.819,1094 52.705,1095 72.379,1096 4.88,1097 159.227,1098 49.084,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 2.117,1106 20.175,1107 5.193,1108 18.406,1109 1.515,1110 1.584,1111 1.589,1112 1.509,1113 1.506,1114 2.068,1115 0.139,1116 4.549,1117 1.402,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.968,1126 4.168,1127 3.986,1128 7.429,1129 3.927,1130 3.916,1131 3.935,1132 4.079,1133 3.854,1134 6.999,1135 3.852,1136 3.561,1137 3.577,1138 3.865,1139 3.528,1140 5.048,1141 3.423,1142 3.503,1143 3.542,1144 3.418,1145 3.275,1146 4.885,1147 3.297,1148 3.385,1149 3.44,1150 3.299,1151 3.155,1152 4.701,1153 3.171,1154 3.222,1155 3.289,1156 3.167,1157 2.991,1158 4.591,1159 2.995,1160 3.058,1161 3.107,1162 3.065,1163 2.907,1164 4.26,1165 2.896,1166 0.139,1167 0.134,1168 0.209,1169 0.124,1170 0.098,1171 4.882,1172 0.136,1173 4.689,1174 0.03,1175 7.322,1176 0.36,1177 4.347,1178 0.091,1179 3.431,1180 4.768,1181 1.058,1182 12.608,1183 3.193,1184 1.963,1185 1.942,1186 2.055,1187 2.065,1188 1.224,1189 2.062,1190 1.901,1191 1.887,1192 1.982,1193 1.989,1194 1.122,1195 1.995,1196 1.73,1197 1.778,1198 1.691,1199 1.841,1200 0.94,1201 1.882,1202 1.45,1203 1.407,1204 1.616,1205 1.711,1206 0.743,1207 1.709,1208 1.406,1209 1.379,1210 1.587,1211 1.612,1212 0.656,1213 1.607,1214 1.332,1215 1.261,1216 1.525,1217 1.501,1218 0.605,1219 1.527,1220 1.175,1221 1.095,1222 1.339,1223 1.453,1224 0.57,1225 1.487,1226 1.117,1227 1.082,1228 1.195,1229 1.233,1230 0.368,1231 1.26,1232 4.263,1233 5.617,1234 3.045,1235 7.157,1236 5.416,1237 8.782,1238 7.535,1239 10.454,1241 3.081,1242 5.91,1247 0.32,1248 5.16,1249 5.462,1257 35.361,1258 98.344,1259 204.235,1260 245.255,1261 273.784,1262 275.784,1263 275.784,1264 73.754,1265 7.857,1266 102.32,1267 138.94,1268 22,1269 12.869,1270 4.644,1271 3.858,1272 51.547,1273 129,1274 140,1275 0.197,1276 227.119,1277 383.81,1278 545.93,1279 27109,1280 2,1281 22.88,1282 0.715,1283 0.61,1284 23.984,1285 19.514,1286 15.318,1287 0.438,1288 0.346,1289 9.518,1290 13.355,1291 9.025,1292 7.5,1293 16.836,1294 12.126,1295 14.318,1296 0.281,1297 0.204,1298 16.893,1299 10.429,1300 11.927,1301 0.175,1302 0.115,1303 14.318,1304 7.815,1305 9.906,1306 0.109,1307 0.064,1308 12.106,1309 5.8,1310 7.853,1311 0.07,1312 0.038,1313 10.256,1314 4.203,1315 0.304,1316 111.992,1317 0.21,1318 29.482,1319 0.558,1320 172,1321 580.822,1322 279.154,1323 626.888,1324 837.1,1325 578,1326 205,1327 547.465,1328 301.483,1329 615.673,1330 903.17,1331 574,1332 6.5}
{0 CHEMBL2018963,1 1.897,2 11.515,3 4.406,4 19.408,5 132.362,6 9.353,7 0.583,8 4.11,9 4.195,10 4.016,11 3.73,12 5.246,13 3.682,14 4.637,15 4.774,16 4.442,17 4.128,18 5.951,19 4.062,20 4.79,21 4.918,22 4.438,23 4.202,24 6.049,25 4.144,26 4.945,27 5.117,28 4.422,29 4.195,30 6.227,31 4.144,32 4.889,33 5.053,34 4.431,35 4.206,36 6.16,37 4.146,38 4.964,39 5.161,40 4.346,41 4.255,42 6.136,43 4.157,44 4.904,45 5.074,46 4.355,47 4.238,48 6.12,49 4.144,50 4.924,51 5.122,52 4.3,53 4.196,54 6.084,55 4.092,56 0.162,57 0.825,58 9.905,59 5.274,60 17.144,61 5.379,62 0.604,63 1.316,64 26.361,65 9.352,66 57.507,67 9.197,68 0.452,69 1.505,70 26.035,71 10.714,72 39.108,73 10.926,74 0.904,75 1.663,76 35.104,77 11.726,78 99.209,79 12.23,80 0.781,81 1.618,82 26.852,83 10.599,84 74.533,85 11.522,86 0.898,87 1.732,88 37.199,89 13.027,90 80.83,91 14.335,92 0.67,93 1.588,94 32.576,95 12.879,96 81.113,97 13.648,98 0.769,99 1.567,100 39.898,101 13.701,102 80.817,103 14.372,104 55,105 53,106 0.309,107 0.638,108 0.766,109 0.852,110 0.858,111 0.858,112 3.532,113 1.041,114 -4.21,115 -4.15,116 -3.92,119 40.7,124 3,125 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 2,166 8,169 3,171 1,172 13,176 14,179 1,181 2,183 5,186 4,187 16,190 1,192 3,194 2,197 2,198 9,203 3,205 7,208 4,209 9,214 2,217 8,220 2,221 10,226 2,227 11,231 12,236 1,238 9,242 8,245 2,249 9,252 1924,253 21.703,254 21.703,255 21.703,256 21.703,257 21.703,258 18.862,259 25.307,260 12.395,261 22.595,262 17.683,263 17.683,264 17.683,265 17.683,266 17.683,267 13.128,268 31.998,269 5.771,270 19.119,271 3.858,272 1.835,273 1.052,274 0.523,275 0.486,276 0.486,277 4.219,280 1,283 1,284 806,285 4.416,287 162.379,288 195.729,291 138.458,295 1.772,296 45.151,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 72.333,308 380,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.2,316 12.608,317 3.193,318 4.683,319 3.666,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.974,327 4.263,328 3.371,329 6.301,330 3.931,331 2.937,332 3.826,333 0.522,334 9.304,335 2.913,336 3.861,337 2.896,338 5.822,339 3.492,340 2.525,341 3.424,342 0.293,343 7.983,344 2.444,345 3.827,346 2.853,347 5.367,348 3.249,349 2.417,350 3.213,352 6.798,353 2.133,354 3.62,355 2.534,356 5.337,357 3.203,358 2.253,359 2.981,361 6.708,362 1.995,363 3.382,364 2.212,365 5.116,366 2.914,367 1.982,368 2.732,370 5.997,371 1.825,372 3.057,373 2.024,374 4.772,375 2.74,376 1.779,377 2.197,379 4.898,380 1.704,381 2.798,382 1.851,383 4.509,384 2.356,385 1.406,386 1.888,388 4.069,389 1.331,390 2.748,391 1.613,392 4.438,393 2.239,394 1.347,395 1.835,397 3.874,398 1.185,399 2.651,400 1.568,401 3.733,402 2.172,403 1.181,404 1.711,406 2.796,407 1.169,408 2.623,409 1.227,410 3.511,411 2.125,412 1.175,413 1.668,415 2.621,416 1.035,417 2.179,418 1.172,419 3.283,420 1.658,421 0.687,422 1.019,424 1.671,425 0.63,426 2.136,427 0.953,428 3.16,429 1.56,430 0.612,431 0.85,433 1.395,434 0.578,435 1.64,436 0.796,437 3.143,438 1.343,439 0.469,440 0.531,442 0.768,443 0.406,444 16.314,445 0.494,446 1.067,447 0.032,448 44.75,449 1.356,450 23.5,451 0.712,452 21.25,453 0.644,454 28.872,455 0.875,456 35.286,457 0.653,458 38.468,459 1.166,460 8.808,461 0.267,462 6.883,463 0.209,464 0.197,465 0.051,466 0.325,472 0.59,473 1.275,474 0.681,475 1.068,476 0.627,477 0.879,478 0.804,479 0.87,480 0.602,481 0.643,482 0.574,483 0.667,484 0.968,485 1.372,486 0.935,487 1.22,488 0.944,489 1.089,490 1.175,491 1.078,492 0.749,493 0.83,494 1.317,495 0.891,496 0.875,497 1.139,498 0.733,499 0.936,500 0.895,501 1.018,502 0.872,503 0.858,504 0.876,505 0.856,506 0.78,507 0.878,508 0.966,509 1.017,510 0.881,511 1.018,512 1.08,513 1.008,514 1.146,515 0.868,516 0.957,517 0.9,518 1.056,519 0.843,520 8.5,521 0.292,522 4.444,523 3.354,524 2.051,525 1.577,526 0.972,527 0.59,528 0.589,529 0.408,530 14010,531 48201,532 2.018,533 38.9,535 20,538 1,542 1.758,543 1.842,544 3.497,545 -0.262,550 102.418,551 1.897,552 3.919,553 4.703,554 5.231,555 5.269,556 5.269,557 2.965,558 4.681,559 5.014,560 3.661,561 1932.96,562 8.815,563 28262.1,568 310.764,569 1.681,570 4.943,571 0.236,572 0.009,573 0.084,574 0.062,575 0.038,576 0.03,577 0.019,578 0.012,579 0.013,580 0.01,581 0.513,582 0.33,583 0.88,584 1.025,585 173.196,586 0.061,587 -0.13,588 0.122,589 -0.074,590 -0.124,591 -0.001,592 0.111,593 0.238,594 0.241,595 0.302,596 0.18,597 0.222,598 -0.064,599 -0.313,600 -0.049,601 -0.245,602 -0.039,603 -0.178,604 -0.048,605 -0.058,606 0.039,607 0.037,608 -0.091,609 0.009,610 0.063,611 -0.099,612 0.036,613 -0.092,614 0.01,615 -0.122,616 0.037,617 0.164,618 0.002,619 0.097,620 0.043,621 0.095,622 -0.037,623 -0.031,624 -0.01,625 -0.041,626 -0.048,627 -0.034,628 -0.131,629 0.092,630 0.03,631 0.123,632 -0.06,633 0.173,634 4.81,635 5.918,636 0.606,637 32.512,638 1.021,639 1.118,640 2.977,641 8.863,642 0.719,643 3.611,644 3.989,645 4.263,646 4.543,647 4.745,648 4.875,649 5.03,650 5.176,651 5.298,652 5.429,653 6.928,654 0.683,655 505.06,656 3.611,657 5.187,658 6.052,659 6.959,660 7.847,661 8.758,662 9.655,663 10.569,664 11.472,665 12.388,666 7.4,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,693 1,701 1,702 1,703 54,705 24,706 2,707 36,709 57,710 22,711 17,712 5,713 7,714 1,717 4,718 5,719 1,729 18,730 4,733 3,736 1,737 3,741 1,747 21,748 7,749 1,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,796 3,799 2,801 3,802 1,805 33,808 1,810 1,811 1,812 1,815 1,820 1,824 1,825 7.4,828 3,830 1,832 17.917,833 10.743,834 7.125,835 2.858,836 3.729,837 1.471,838 0.999,839 6.887,840 11.654,841 3.922,842 4.605,843 5.197,844 5.809,845 6.292,846 6.646,847 7.057,848 7.473,849 7.828,850 8.224,851 0.875,852 54,853 12.495,854 5.66,855 7.965,856 22.842,857 18.803,859 2.465,860 81.361,864 235.422,865 177.191,866 37.969,867 39.149,868 80.458,870 37.085,871 140.105,872 355.028,873 37.969,874 27.676,875 5.23,876 91.094,877 107.231,878 28.637,879 43.621,880 266.7,882 235.422,883 178.074,884 80.458,885 76.234,887 235.422,888 80.458,891 8.68,892 136.326,893 38.875,894 70.426,895 235.422,896 118.427,897 216.339,899 5.807,900 235.422,901 58.421,902 117.863,903 16.405,904 136.269,905 235.422,906 118.427,907 216.339,909 0.595,910 0.35,911 0.184,912 0.099,913 26,914 13,915 0.123,916 7,917 1,918 1.1,919 4.176,920 315.927,921 0.1,922 20,923 160.465,924 1,927 1,928 23.858,929 9.526,930 4.978,931 1.215,932 116.65,933 15.598,934 4.543,937 0.958,938 2.483,939 1.677,940 16.405,941 570.188,942 49.5,945 -3.893,946 38.179,950 -0.105,952 55.145,953 60.352,954 0.33,955 0.681,956 0.817,957 0.909,958 0.915,959 0.915,960 5.183,961 1.779,962 6.094,963 5.997,964 4.673,965 5.293,966 1.775,967 6.98,968 4.542,969 6.45,970 1.406,971 7.71,972 4.898,973 4.511,974 5.421,975 0.325,976 8.181,977 4.29,978 7.816,979 1.347,980 9.435,981 4.069,982 6.382,983 7.662,984 1.754,985 11.251,986 6.136,987 9.224,988 1.181,989 11.225,990 3.874,991 7.013,992 8.606,993 0.653,994 13.271,995 6.677,996 10.667,997 1.175,998 13.057,999 2.796,1000 8.424,1001 10.381,1002 1.878,1003 15.934,1004 8.056,1005 12.135,1006 0.687,1007 14.919,1008 2.621,1009 9.386,1010 11.671,1011 1.001,1012 18.261,1013 8.931,1014 13.623,1015 0.612,1016 16.804,1017 1.671,1018 10.645,1019 13.29,1020 2.072,1021 20.81,1022 10.145,1023 3.431,1024 0.469,1025 18.707,1026 1.395,1027 11.746,1028 14.727,1029 1.37,1030 23.251,1031 11.163,1032 3.227,1033 12.608,1034 20.623,1035 0.768,1036 12.958,1037 16.293,1038 2.309,1039 25.769,1040 12.318,1041 2.937,1042 11.652,1043 22.55,1044 4.768,1045 14.118,1046 17.792,1047 1.754,1048 28.253,1049 13.398,1050 2.525,1051 9.304,1052 24.485,1053 4.632,1054 15.32,1055 19.343,1056 2.576,1057 30.765,1058 14.534,1059 2.417,1060 7.983,1061 26.428,1062 3.826,1063 16.506,1064 20.869,1065 2.143,1066 33.267,1067 15.642,1068 2.253,1069 6.798,1070 28.377,1071 3.424,1072 17.708,1073 22.416,1074 2.865,1075 35.78,1076 16.773,1077 1.982,1078 6.708,1079 30.331,1080 3.213,1081 18.907,1082 23.955,1083 2.535,1084 38.29,1085 17.895,1086 13641,1087 25609,1088 23.175,1089 38.847,1090 55.451,1091 57.421,1092 57.195,1093 54.993,1094 54.856,1095 74.551,1096 5.749,1097 166.283,1098 51.031,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 2.293,1106 20.175,1107 5.193,1108 20.341,1109 1.54,1110 1.595,1111 1.589,1112 1.528,1113 1.524,1114 2.071,1115 0.16,1116 4.619,1117 1.418,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.969,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.921,1131 3.94,1132 4.079,1133 3.857,1134 6.999,1135 3.855,1136 3.579,1137 3.65,1138 3.871,1139 3.528,1140 5.048,1141 3.423,1142 3.558,1143 3.551,1144 3.474,1145 3.342,1146 4.885,1147 3.363,1148 3.406,1149 3.452,1150 3.33,1151 3.197,1152 4.7,1153 3.209,1154 3.223,1155 3.29,1156 3.168,1157 2.993,1158 4.591,1159 2.996,1160 3.073,1161 3.113,1162 3.065,1163 2.922,1164 4.26,1165 2.915,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.033,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.2,1182 12.608,1183 3.193,1184 1.964,1185 1.942,1186 2.056,1187 2.066,1188 1.225,1189 2.063,1190 1.903,1191 1.889,1192 1.983,1193 1.992,1194 1.124,1195 1.997,1196 1.73,1197 1.778,1198 1.776,1199 1.848,1200 0.941,1201 1.884,1202 1.516,1203 1.444,1204 1.616,1205 1.769,1206 0.846,1207 1.781,1208 1.418,1209 1.404,1210 1.589,1211 1.628,1212 0.7,1213 1.618,1214 1.362,1215 1.306,1216 1.526,1217 1.501,1218 0.605,1219 1.527,1220 1.176,1221 1.098,1222 1.417,1223 1.454,1224 0.57,1225 1.489,1226 1.119,1227 1.085,1228 1.339,1229 1.239,1230 0.469,1231 1.308,1232 4.29,1233 5.652,1234 3.045,1235 7.195,1236 5.416,1237 8.821,1238 7.535,1239 10.493,1241 4.905,1242 5.921,1247 0.324,1248 2.568,1249 5.476,1252 1.511,1257 36.888,1258 102.418,1259 211.652,1260 253.97,1261 282.499,1262 284.499,1263 284.499,1264 78.373,1265 7.925,1266 93.53,1267 130.15,1268 22,1269 12.902,1270 4.644,1271 3.858,1272 54.054,1273 136,1274 135,1275 0.194,1276 236.711,1277 401.11,1278 569.336,1279 29642,1280 1.9,1281 23.75,1282 0.72,1283 0.62,1284 24.854,1285 20.461,1286 15.691,1287 0.436,1288 0.347,1289 9.873,1290 13.7,1291 9.307,1292 7.766,1293 17.209,1294 12.494,1295 15.036,1296 0.284,1297 0.208,1298 17.61,1299 11.049,1300 12.274,1301 0.175,1302 0.114,1303 14.664,1304 7.979,1305 10.078,1306 0.108,1307 0.063,1308 12.278,1309 5.905,1310 7.948,1311 0.07,1312 0.037,1313 10.352,1314 4.257,1315 0.301,1316 114.414,1317 0.208,1318 30.261,1319 0.547,1320 178,1321 592.135,1322 285.515,1323 638.344,1324 851.84,1325 588,1326 212,1327 558.17,1328 309.648,1329 629.348,1330 921.31,1331 584,1332 5.9}
{0 CHEMBL2018964,1 1.897,2 12.212,3 4.119,4 16.965,5 131.905,6 9.353,7 0.583,8 4.11,9 4.196,10 4.014,11 3.736,12 5.241,13 3.687,14 4.633,15 4.762,16 4.434,17 4.129,18 5.965,19 4.057,20 4.809,21 4.953,22 4.394,23 4.184,24 6.013,25 4.116,26 4.895,27 5.069,28 4.391,29 4.182,30 6.119,31 4.117,32 4.911,33 5.097,34 4.425,35 4.196,36 6.148,37 4.133,38 4.927,39 5.112,40 4.358,41 4.241,42 6.136,43 4.157,44 4.92,45 5.096,46 4.362,47 4.246,48 6.124,49 4.157,50 4.899,51 5.067,52 4.267,53 4.214,54 6.077,55 4.094,56 0.169,57 0.824,58 9.984,59 5.263,60 18.507,61 5.354,62 0.561,63 1.305,64 25.382,65 9.529,66 60.17,67 9.473,68 0.569,69 1.526,70 28.364,71 10.795,72 60.305,73 10.864,74 0.747,75 1.626,76 32.429,77 11.28,78 71.771,79 12.352,80 0.811,81 1.638,82 30.524,83 11.181,84 78.41,85 12.605,86 0.83,87 1.688,88 34.51,89 12.266,90 74.689,91 13.123,92 0.698,93 1.606,94 34.214,95 13.019,96 85.49,97 13.671,98 0.741,99 1.531,100 34.723,101 13.334,102 84.052,103 13.612,104 43,105 52,106 0.309,107 0.641,108 0.774,109 0.872,110 0.885,111 0.891,112 3.532,113 1.049,114 -4.21,115 -4.15,116 -3.92,119 40.7,120 1,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 7,169 4,171 3,172 13,176 10,179 1,181 4,183 5,186 4,187 13,190 1,192 5,194 3,197 2,198 9,203 4,205 9,208 2,209 11,212 1,214 2,217 10,221 11,224 1,226 2,227 12,230 1,231 9,236 3,238 9,241 1,242 7,246 1,247 1,249 9,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.398,260 12.722,261 22.681,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 13.058,268 37.56,269 6,270 19.1,271 3.858,272 1.82,273 1.001,274 0.398,275 0.324,276 0.287,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 43.534,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 72.333,308 403,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.193,318 4.683,319 3.52,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.084,328 3.372,329 5.839,330 3.706,331 2.715,332 3.68,333 0.561,334 8.158,335 2.691,336 3.86,337 2.93,338 5.551,339 3.354,340 2.419,341 3.424,342 0.522,343 7.416,344 2.296,345 3.732,346 2.895,347 5.365,348 3.249,349 2.397,350 3.159,352 6.797,353 2.169,354 3.549,355 2.662,356 5.116,357 3.197,358 2.204,359 2.745,361 6.032,362 2,363 3.388,364 2.387,365 5.015,366 2.965,367 2.005,368 2.726,370 5.926,371 1.929,372 3.295,373 2.145,374 4.609,375 2.888,376 1.918,377 2.535,379 5.003,380 1.818,381 2.8,382 1.645,383 4.507,384 2.371,385 1.416,386 1.892,388 4.109,389 1.347,390 2.774,391 1.613,392 4.438,393 2.239,394 1.349,395 1.873,397 3.874,398 1.185,399 2.659,400 1.317,401 3.732,402 2.177,403 1.185,404 1.729,406 2.797,407 1.174,408 2.63,409 1.217,410 3.497,411 2.125,412 1.176,413 1.675,415 2.629,416 1.035,417 2.179,418 1.057,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.778,427 0.953,428 3.143,429 1.517,430 0.548,431 0.632,433 1.22,434 0.527,435 1.64,436 0.796,437 3.023,438 1.343,439 0.469,440 0.531,442 0.768,443 0.406,444 16.314,445 0.494,446 0.995,447 0.03,448 44.5,449 1.348,450 23.5,451 0.712,452 21,453 0.636,454 28.953,455 0.877,456 35.286,457 0.653,458 36.967,459 1.12,460 8.732,461 0.265,462 7.031,463 0.213,464 0.166,465 0.051,466 0.3,472 0.603,473 1.195,474 0.687,475 1.034,476 0.631,477 0.854,478 0.745,479 1.01,480 0.615,481 0.754,482 0.557,483 0.787,484 1.092,485 1.255,486 0.975,487 1.12,488 1.095,489 1.04,490 0.909,491 1.171,492 0.734,493 0.915,494 0.903,495 0.972,496 0.797,497 1.041,498 0.663,499 0.846,500 0.768,501 0.896,502 0.95,503 0.888,504 0.904,505 0.88,506 0.808,507 0.882,508 1.051,509 0.92,510 0.869,511 0.94,512 1.154,513 0.922,514 1.172,515 1.051,516 1.086,517 1.088,518 1.203,519 1.114,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 50245,532 2.036,533 38.9,535 16,538 2,539 3,542 1.757,543 1.877,544 3.552,545 0.282,550 102.418,551 1.897,552 3.935,553 4.754,554 5.357,555 5.431,556 5.468,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 310.764,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.048,587 -0.049,588 0.117,589 -0.04,590 -0.123,591 0.025,592 0.144,593 0.079,594 0.219,595 0.196,596 0.199,597 0.108,598 -0.138,599 -0.194,600 -0.069,601 -0.147,602 -0.138,603 -0.124,604 0.047,605 -0.134,606 0.048,607 -0.044,608 0.003,609 -0.059,610 0.111,611 -0.021,612 0.136,613 0.01,614 0.082,615 0.036,616 -0.018,617 0.157,618 -0.032,619 0.07,620 0.034,621 0.067,622 -0.095,623 0.065,624 0.008,625 0.035,626 -0.084,627 0.054,628 -0.151,629 -0.09,630 -0.133,631 -0.067,632 -0.153,633 -0.127,634 4.795,635 5.913,636 0.606,637 34.793,638 1.021,639 1.118,640 2.977,641 8.863,642 0.719,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.683,655 505.06,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 7.4,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 54,705 24,706 2,707 36,709 57,710 22,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,747 21,748 7,749 2,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 33,808 1,810 2,811 2,812 1,820 1,824 1,825 7.4,828 3,830 1,832 17.583,833 10.293,834 7.153,835 2.908,836 3.729,837 1.471,838 1.003,839 7.167,840 11.654,841 3.922,842 4.595,843 5.152,844 5.782,845 6.267,846 6.62,847 7.022,848 7.455,849 7.812,850 8.165,851 1,852 51,853 12.474,854 5.625,855 7.965,856 22.877,857 18.841,859 2.465,860 81.361,864 223.651,865 171.329,866 52.855,867 39.149,868 80.458,870 37.085,871 134.244,872 343.257,873 52.855,874 19.708,875 22.222,876 91.094,877 107.231,878 28.637,879 43.621,880 254.929,882 223.651,883 187.099,884 80.458,885 76.234,887 223.651,888 80.458,891 34.497,892 119.534,893 38.875,894 70.426,895 223.651,896 133.313,897 210.477,899 5.807,900 223.651,901 60.527,902 106.771,903 34.416,904 136.269,905 223.651,906 133.313,907 210.477,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.14,916 8,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 164.465,924 1,927 1,928 23.858,929 9.913,930 5.45,931 1.268,932 131.537,933 16.165,934 4.563,937 0.966,938 3.038,939 1.717,940 34.416,941 567.441,942 49.5,945 -3.878,946 37.048,950 -0.102,952 55.145,953 60.352,954 0.33,955 0.684,956 0.826,957 0.931,958 0.944,959 0.95,960 5.172,961 1.918,962 6.057,963 5.926,964 4.654,965 5.283,966 2.263,967 6.923,968 4.526,969 6.431,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.229,978 7.79,979 1.349,980 9.361,981 4.109,982 6.337,983 7.64,984 2.986,985 11.169,986 6.087,987 9.192,988 1.185,989 11.138,990 3.874,991 6.929,992 8.572,993 3.032,994 13.198,995 6.578,996 10.629,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.353,1002 4.061,1003 15.866,1004 7.967,1005 12.092,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.639,1011 4.414,1012 18.208,1013 8.809,1014 13.576,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.263,1020 5.262,1021 20.764,1022 10.028,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.701,1029 5.757,1030 23.217,1031 11.03,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.271,1038 6.511,1039 25.741,1040 12.188,1041 2.715,1042 11.652,1043 22.463,1044 4.768,1045 14.046,1046 17.773,1047 7.078,1048 28.232,1049 13.263,1050 2.419,1051 8.158,1052 24.405,1053 4.632,1054 15.255,1055 19.326,1056 7.782,1057 30.748,1058 14.401,1059 2.397,1060 7.416,1061 26.354,1062 3.68,1063 16.445,1064 20.855,1065 8.386,1066 33.254,1067 15.509,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.404,1074 9.064,1075 35.77,1076 16.644,1077 2.005,1078 6.032,1079 30.27,1080 3.159,1081 18.857,1082 23.944,1083 9.687,1084 38.283,1085 17.769,1086 13996,1087 26441,1088 23.463,1089 38.847,1090 54.612,1091 56.187,1092 56.097,1093 54.33,1094 54.291,1095 74.038,1096 7.704,1097 161.317,1098 50.642,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.193,1108 19.021,1109 1.517,1110 1.561,1111 1.558,1112 1.509,1113 1.508,1114 2.057,1115 0.214,1116 4.481,1117 1.407,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.969,1126 4.168,1127 3.986,1128 7.43,1129 3.927,1130 3.915,1131 3.939,1132 4.078,1133 3.856,1134 6.999,1135 3.851,1136 3.595,1137 3.647,1138 3.851,1139 3.528,1140 5.048,1141 3.423,1142 3.559,1143 3.551,1144 3.5,1145 3.362,1146 4.885,1147 3.384,1148 3.418,1149 3.459,1150 3.35,1151 3.216,1152 4.725,1153 3.228,1154 3.225,1155 3.293,1156 3.169,1157 3.01,1158 4.595,1159 3.003,1160 3.147,1161 3.217,1162 3.065,1163 2.974,1164 4.261,1165 2.975,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.067,1188 1.246,1189 2.067,1190 1.905,1191 1.889,1192 1.988,1193 1.992,1194 1.145,1195 2,1196 1.73,1197 1.778,1198 1.748,1199 1.847,1200 0.945,1201 1.885,1202 1.518,1203 1.461,1204 1.619,1205 1.766,1206 0.85,1207 1.764,1208 1.421,1209 1.405,1210 1.596,1211 1.635,1212 0.703,1213 1.625,1214 1.372,1215 1.325,1216 1.548,1217 1.501,1218 0.606,1219 1.527,1220 1.186,1221 1.118,1222 1.431,1223 1.461,1224 0.578,1225 1.497,1226 1.143,1227 1.089,1228 1.334,1229 1.359,1230 0.54,1231 1.392,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 2.995,1242 5.922,1247 0.815,1248 5.362,1249 5.483,1257 36.888,1258 102.418,1259 212.486,1260 256.725,1261 289.254,1262 293.254,1263 295.254,1264 75.113,1265 7.925,1266 102.32,1267 138.94,1268 22,1269 12.853,1270 4.644,1271 3.858,1272 54.105,1273 139,1274 160,1275 0.189,1276 236.711,1277 401.11,1278 569.336,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.613,1284 24.691,1285 20.221,1286 15.763,1287 0.438,1288 0.35,1289 9.98,1290 13.799,1291 9.46,1292 7.853,1293 17.281,1294 12.583,1295 15.01,1296 0.289,1297 0.209,1298 17.584,1299 10.879,1300 11.699,1301 0.175,1302 0.118,1303 14.089,1304 7.931,1305 9.957,1306 0.109,1307 0.065,1308 12.157,1309 5.909,1310 8.044,1311 0.071,1312 0.038,1313 10.447,1314 4.325,1315 0.294,1316 114.559,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 584.822,1322 283.488,1323 631.149,1324 840.74,1325 582,1326 207,1327 547.747,1328 302.985,1329 615.907,1330 899.07,1331 574,1332 7.5}
{0 CHEMBL2018965,1 1.867,2 12.294,3 4.325,4 18.703,5 136.802,6 9.107,7 0.568,8 4.157,9 4.245,10 4.037,11 3.772,12 5.272,13 3.72,14 4.69,15 4.833,16 4.46,17 4.166,18 5.98,19 4.095,20 4.856,21 4.995,22 4.439,23 4.247,24 6.058,25 4.179,26 5.001,27 5.183,28 4.427,29 4.264,30 6.208,31 4.189,32 5.008,33 5.21,34 4.456,35 4.273,36 6.199,37 4.196,38 5.005,39 5.2,40 4.389,41 4.306,42 6.176,43 4.213,44 4.98,45 5.159,46 4.385,47 4.3,48 6.159,49 4.202,50 4.981,51 5.17,52 4.3,53 4.257,54 6.116,55 4.135,56 0.154,57 0.865,58 11.136,59 5.628,60 17.674,61 5.961,62 0.589,63 1.384,64 28.339,65 9.994,66 58.46,67 10.271,68 0.514,69 1.604,70 29.346,71 11.299,72 52.433,73 11.815,74 0.812,75 1.773,76 37.033,77 12.663,78 85.227,79 14.256,80 0.828,81 1.782,82 35.696,83 12.64,84 82.025,85 14.993,86 0.83,87 1.805,88 38.34,89 13.415,90 76.809,91 15.056,92 0.659,93 1.703,94 36.156,95 13.844,96 83.441,97 15.063,98 0.773,99 1.655,100 40.105,101 14.371,102 87.364,103 15.411,104 56,105 54,106 0.301,107 0.626,108 0.774,109 0.867,110 0.878,111 0.883,112 3.561,113 1.051,114 -4.42,115 -4.35,116 -4.1,119 40.4,120 1,124 2,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 2,166 9,169 3,171 1,172 13,176 12,179 1,181 2,183 5,186 4,187 15,190 1,192 3,194 3,197 2,198 10,203 3,205 9,208 3,209 11,214 2,217 10,220 1,221 11,226 2,227 12,230 1,231 11,236 1,238 9,241 1,242 8,245 1,249 9,252 2164,253 22.358,254 22.358,255 22.358,256 22.358,257 22.358,258 19.401,259 28.348,260 12.852,261 23.231,262 18.199,263 18.199,264 18.199,265 18.199,266 18.199,267 13.554,268 38.682,269 6.023,270 19.634,271 3.966,272 1.95,273 1.031,274 0.461,275 0.391,276 0.356,277 4.248,280 1,283 1,284 885,285 4.528,287 168.978,288 204.782,291 144.535,295 1.841,296 43.956,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 74.333,308 418,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.943,316 12.608,317 3.193,318 4.683,319 3.66,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.105,328 3.372,329 5.866,330 3.768,331 2.79,332 3.686,333 0.736,334 8.258,335 2.731,336 3.86,337 2.937,338 5.798,339 3.546,340 2.574,341 3.424,342 0.522,343 7.818,344 2.494,345 3.828,346 2.895,347 5.477,348 3.291,349 2.418,350 3.165,351 0.079,352 7.027,353 2.223,354 3.702,355 2.683,356 5.365,357 3.249,358 2.337,359 2.985,361 6.797,362 2.001,363 3.388,364 2.423,365 5.116,366 2.97,367 2.013,368 2.734,370 6.005,371 1.931,372 3.296,373 2.167,374 4.958,375 2.889,376 1.923,377 2.546,379 5.7,380 1.818,381 2.801,382 1.87,383 4.518,384 2.376,385 1.419,386 1.892,388 4.114,389 1.353,390 2.777,391 1.613,392 4.439,393 2.24,394 1.349,395 1.875,397 3.874,398 1.187,399 2.661,400 1.603,401 3.734,402 2.189,403 1.197,404 1.731,406 2.802,407 1.182,408 2.631,409 1.242,410 3.56,411 2.125,412 1.176,413 1.675,415 2.677,416 1.035,417 2.33,418 1.203,419 3.428,420 2,421 1,422 1.212,424 2.272,425 0.989,426 2.179,427 0.953,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.64,436 0.796,437 3.143,438 1.343,439 0.469,440 0.532,442 0.769,443 0.406,444 16.814,445 0.495,446 1.084,447 0.032,448 45.25,449 1.331,450 23.5,451 0.691,452 21.75,453 0.64,454 31.023,455 0.912,456 36.586,457 0.642,458 38.537,459 1.133,460 8.894,461 0.262,462 7.28,463 0.214,464 0.191,465 0.05,466 0.315,472 0.585,473 1.282,474 0.688,475 1.076,476 0.624,477 0.898,478 0.782,479 0.939,480 0.608,481 0.692,482 0.558,483 0.72,484 1.069,485 1.304,486 0.974,487 1.162,488 1.061,489 1.081,490 0.981,491 1.142,492 0.748,493 0.904,494 1.046,495 0.983,496 0.746,497 1.014,498 0.641,499 0.831,500 0.727,501 0.884,502 0.907,503 0.881,504 0.873,505 0.869,506 0.774,507 0.875,508 1.022,509 0.998,510 0.875,511 0.992,512 1.139,513 0.987,514 1.146,515 0.989,516 1.021,517 1,518 1.146,519 1.008,520 9,521 0.303,522 4.222,523 3.229,524 2.091,525 1.57,526 1.014,527 0.615,528 0.533,529 0.39,530 15507,531 52402,532 2.018,533 40.4,535 19,538 1,539 3,542 1.765,543 1.846,544 3.576,545 -0.275,550 106.391,551 1.867,552 3.883,553 4.801,554 5.372,555 5.442,556 5.477,557 3.058,558 4.735,559 5.056,560 3.748,561 2102.9,562 8.895,563 31701.5,568 332.475,569 1.667,570 4.989,571 0.243,572 0.009,573 0.078,574 0.06,575 0.039,576 0.029,577 0.019,578 0.012,579 0.012,580 0.01,581 0.51,582 0.17,583 0.88,584 1.159,585 180.992,586 0.068,587 -0.126,588 0.125,589 -0.07,590 -0.118,592 0.131,593 0.168,594 0.24,595 0.258,596 0.195,597 0.183,598 -0.12,599 -0.23,600 -0.082,601 -0.19,602 -0.108,603 -0.168,604 0.02,605 -0.12,606 0.032,607 -0.034,608 -0.035,609 -0.065,610 0.133,611 -0.009,612 0.158,613 0.03,614 0.093,615 0.066,616 0.007,617 0.154,618 -0.005,619 0.079,620 0.049,621 0.083,622 -0.079,623 -0.01,624 -0.01,625 -0.021,626 -0.081,627 -0.015,628 -0.126,629 -0.023,630 -0.062,631 0.011,632 -0.116,633 -0.014,634 4.798,635 5.947,636 0.588,637 35.958,638 1.018,639 1.119,640 3.188,641 10.165,642 0.712,643 3.638,644 4.007,645 4.263,646 4.543,647 4.754,648 4.883,649 5.037,650 5.187,651 5.313,652 5.416,653 7.283,654 0.674,655 519.09,656 3.638,657 5.209,658 6.066,659 6.969,660 7.85,661 8.758,662 9.65,663 10.561,664 11.46,665 12.375,666 7,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 57,705 24,706 2,707 37,709 60,710 23,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 5,733 3,736 1,737 3,741 1,747 23,748 7,749 1,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,784 1,796 3,799 2,801 3,802 1,805 34,808 1,810 2,811 1,812 1,815 1,820 1,824 1,825 7,828 3,830 1,832 18.417,833 11.243,834 7.347,835 3.07,836 3.737,837 1.468,838 0.994,839 7.404,840 11.726,841 3.942,842 4.615,843 5.175,844 5.791,845 6.276,846 6.632,847 7.033,848 7.471,849 7.82,850 8.18,851 1,852 54,853 12.857,854 5.774,855 7.937,856 23.658,857 19.46,859 2.437,860 82.861,864 258.964,865 179.725,866 37.969,867 39.149,868 80.458,870 37.085,871 142.64,872 378.571,873 37.969,874 28.105,875 7.336,876 91.094,877 107.231,878 28.637,879 43.621,880 290.242,882 258.964,883 180.609,884 80.458,885 76.234,887 258.964,888 80.458,891 19.611,892 127.93,893 38.875,894 70.426,895 258.964,896 118.427,897 218.874,899 5.807,900 258.964,901 60.527,902 118.292,903 16.405,904 136.269,905 258.964,906 118.427,907 218.874,909 0.593,910 0.343,911 0.178,912 0.099,913 26,914 13,915 0.133,916 8,917 1,918 1.1,919 4.289,920 325.247,921 0.1,922 20,923 170.974,924 1,927 1,928 24.827,929 10.14,930 5.529,931 1.274,932 116.65,933 16.282,934 4.583,937 0.968,938 3.092,939 1.727,940 16.405,941 596.265,942 50.5,945 -3.882,946 37.482,950 -0.014,952 58.029,953 63.767,954 0.32,955 0.666,956 0.823,957 0.921,958 0.933,959 0.939,960 5.2,961 1.923,962 6.103,963 6.005,964 4.691,965 5.303,966 2.328,967 6.974,968 4.561,969 6.461,970 1.419,971 7.708,972 5.7,973 4.511,974 5.421,975 1.668,976 8.152,977 4.29,978 7.822,979 1.349,980 9.422,981 4.114,982 6.385,983 7.655,984 3.053,985 11.216,986 6.131,987 9.224,988 1.197,989 11.201,990 3.874,991 6.995,992 8.589,993 3.138,994 13.229,995 6.642,996 10.66,997 1.176,998 13.025,999 2.802,1000 8.408,1001 10.364,1002 4.157,1003 15.892,1004 8.018,1005 12.122,1006 1,1007 14.88,1008 2.677,1009 9.356,1010 11.649,1011 4.549,1012 18.224,1013 8.869,1014 13.605,1015 0.687,1016 16.76,1017 2.272,1018 10.616,1019 13.27,1020 5.396,1021 20.777,1022 10.079,1023 3.431,1024 0.469,1025 18.659,1026 1.671,1027 11.71,1028 14.706,1029 5.925,1030 23.224,1031 11.082,1032 3.227,1033 12.608,1034 20.573,1035 0.769,1036 12.923,1037 16.275,1038 6.684,1039 25.746,1040 12.233,1041 2.79,1042 11.652,1043 22.5,1044 4.768,1045 14.081,1046 17.775,1047 7.279,1048 28.235,1049 13.305,1050 2.574,1051 8.258,1052 24.437,1053 4.632,1054 15.284,1055 19.328,1056 7.993,1057 30.751,1058 14.439,1059 2.418,1060 7.818,1061 26.381,1062 3.686,1063 16.47,1064 20.856,1065 8.621,1066 33.256,1067 15.543,1068 2.337,1069 7.027,1070 28.332,1071 3.424,1072 17.674,1073 22.405,1074 9.312,1075 35.771,1076 16.674,1077 2.013,1078 6.797,1079 30.289,1080 3.165,1081 18.875,1082 23.945,1083 9.957,1084 38.283,1085 17.795,1086 15112,1087 28111,1088 23.868,1089 40.608,1090 56.579,1091 57.959,1092 58.441,1093 56.066,1094 56.02,1095 75.75,1096 8.279,1097 168.087,1098 52.187,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.352,1106 20.175,1107 5.193,1108 20.935,1109 1.529,1110 1.566,1111 1.579,1112 1.515,1113 1.514,1114 2.047,1115 0.224,1116 4.543,1117 1.41,1118 4.169,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.92,1131 3.944,1132 4.079,1133 3.859,1134 6.999,1135 3.854,1136 3.646,1137 3.7,1138 3.857,1139 3.528,1140 5.048,1141 3.445,1142 3.56,1143 3.552,1144 3.555,1145 3.421,1146 4.885,1147 3.422,1148 3.419,1149 3.46,1150 3.351,1151 3.218,1152 4.723,1153 3.23,1154 3.227,1155 3.296,1156 3.169,1157 3.017,1158 4.595,1159 3.008,1160 3.19,1161 3.27,1162 3.066,1163 2.981,1164 4.261,1165 2.985,1166 0.132,1167 0.127,1168 0.198,1169 0.117,1170 0.093,1171 4.882,1172 0.129,1173 4.689,1174 0.053,1175 7.322,1176 0.341,1177 4.347,1178 0.086,1179 3.431,1180 4.768,1181 1.943,1182 12.608,1183 3.193,1184 1.967,1185 1.943,1186 2.07,1187 2.069,1188 1.251,1189 2.069,1190 1.907,1191 1.891,1192 1.989,1193 1.996,1194 1.151,1195 2.003,1196 1.73,1197 1.779,1198 1.796,1199 1.858,1200 0.953,1201 1.888,1202 1.573,1203 1.514,1204 1.619,1205 1.798,1206 0.906,1207 1.808,1208 1.422,1209 1.405,1210 1.598,1211 1.637,1212 0.72,1213 1.626,1214 1.374,1215 1.327,1216 1.57,1217 1.501,1218 0.614,1219 1.527,1220 1.202,1221 1.13,1222 1.523,1223 1.47,1224 0.603,1225 1.508,1226 1.167,1227 1.091,1228 1.355,1229 1.438,1230 0.57,1231 1.476,1232 4.317,1233 5.673,1234 3.045,1235 7.206,1236 5.416,1237 8.82,1238 7.535,1239 10.482,1241 4.805,1242 5.933,1247 0.888,1248 2.59,1249 5.497,1252 1.636,1257 38.414,1258 106.391,1259 221.31,1260 273.681,1261 306.21,1262 310.21,1263 312.21,1264 79.935,1265 7.989,1266 93.53,1267 130.15,1268 22,1269 12.89,1270 4.644,1271 3.858,1272 56.653,1273 146,1274 156,1275 0.188,1276 246.304,1277 418.41,1278 592.741,1279 32709,1280 1.8,1281 24.457,1282 0.719,1283 0.623,1284 25.561,1285 21.168,1286 16.174,1287 0.437,1288 0.35,1289 10.35,1290 14.176,1291 9.761,1292 8.13,1293 17.692,1294 12.967,1295 15.496,1296 0.287,1297 0.21,1298 18.07,1299 11.344,1300 12.39,1301 0.177,1302 0.119,1303 14.78,1304 8.347,1305 10.138,1306 0.109,1307 0.065,1308 12.338,1309 6.056,1310 8.094,1311 0.07,1312 0.038,1313 10.498,1314 4.392,1315 0.293,1316 117.229,1317 0.205,1318 31.174,1319 0.522,1320 182,1321 596.135,1322 289.848,1323 642.056,1324 855.92,1325 592,1326 215,1327 559.522,1328 312.15,1329 629.596,1330 918.71,1331 585,1332 6.89}
{0 CHEMBL2018966,1 1.897,2 13,3 4.119,4 16.965,5 131.905,6 9.353,7 0.583,8 4.11,9 4.196,10 4.014,11 3.736,12 5.241,13 3.687,14 4.633,15 4.762,16 4.434,17 4.129,18 5.964,19 4.057,20 4.809,21 4.953,22 4.394,23 4.184,24 6.014,25 4.116,26 4.895,27 5.069,28 4.38,29 4.176,30 6.124,31 4.108,32 4.908,33 5.107,34 4.406,35 4.176,36 6.139,37 4.111,38 4.859,39 5.021,40 4.328,41 4.211,42 6.103,43 4.125,44 4.895,45 5.079,46 4.304,47 4.2,48 6.082,49 4.101,50 4.838,51 5.021,52 4.218,53 4.152,54 5.983,55 4.03,56 0.169,57 0.824,58 9.984,59 5.263,60 18.507,61 5.354,62 0.561,63 1.305,64 25.382,65 9.529,66 60.154,67 9.473,68 0.569,69 1.526,70 28.364,71 10.795,72 60.445,73 10.864,74 0.743,75 1.625,76 32.205,77 11.277,78 70.862,79 12.342,80 0.849,81 1.619,82 32.431,83 11.274,84 81.034,85 12.803,86 0.722,87 1.569,88 30.391,89 11.638,90 68.819,91 12.215,92 0.716,93 1.553,94 34.621,95 12.87,96 86.518,97 13.493,98 0.693,99 1.443,100 35.347,101 12.835,102 76.038,103 13.279,104 43,105 52,106 0.309,107 0.641,108 0.762,109 0.842,110 0.854,111 0.866,112 3.532,113 1.049,114 -4.21,115 -4.15,116 -3.92,119 40.7,120 1,124 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 7,169 4,171 3,172 13,176 10,179 1,181 4,183 5,186 4,187 13,190 1,192 5,194 3,197 2,198 9,203 4,205 9,208 2,209 11,214 2,217 10,221 11,224 1,226 2,227 12,231 8,234 1,236 1,238 9,241 1,242 7,247 2,249 9,252 2048,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.398,260 12.684,261 22.681,262 17.725,263 17.725,264 17.725,265 17.725,266 17.725,267 13.052,268 36.089,269 5.978,270 19.083,271 3.858,272 1.82,273 1.075,274 0.584,275 0.509,276 0.435,277 4.221,280 1,283 1,284 913,285 4.301,287 168.218,288 200.028,291 144.549,295 1.939,296 43.155,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 72.333,308 429,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.193,318 4.682,319 3.52,320 6.925,321 4.168,322 3.226,323 4.632,324 0.86,325 11.651,326 2.971,327 4.053,328 3.372,329 5.828,330 3.671,331 2.68,332 3.646,333 0.561,334 8.049,335 2.656,336 3.86,337 2.9,338 5.464,339 3.383,340 2.426,341 3.424,342 0.522,343 7.216,344 2.332,345 3.746,346 2.892,347 5.365,348 3.249,349 2.413,350 3.168,352 6.797,353 2.169,354 3.56,355 2.677,356 5.136,357 3.199,358 2.214,359 2.792,361 6.305,362 2.016,363 3.405,364 2.436,365 5.114,366 3.025,367 2.038,368 2.73,370 5.991,371 1.981,372 3.362,373 2.161,374 4.61,375 2.901,376 1.955,377 2.62,379 5.032,380 1.82,381 2.799,382 1.645,383 4.526,384 2.357,385 1.41,386 1.889,388 4.141,389 1.329,390 2.753,391 1.613,392 4.44,393 2.237,394 1.346,395 1.845,397 3.874,398 1.184,399 2.644,400 1.24,401 3.732,402 2.125,403 1.177,404 1.693,406 2.792,407 1.036,408 2.5,409 1.197,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.179,418 1,419 3.283,420 1.63,421 0.687,422 1.019,424 1.671,425 0.635,426 1.872,427 0.958,428 3.143,429 1.56,430 0.659,431 0.753,433 1.468,434 0.578,435 1.638,436 0.797,437 3.111,438 1.342,439 0.466,440 0.527,442 0.766,443 0.404,444 16.314,445 0.494,446 0.995,447 0.03,448 44.5,449 1.348,450 23.5,451 0.712,452 21,453 0.636,454 28.663,455 0.869,456 35.286,457 0.653,458 36.723,459 1.113,460 8.732,461 0.265,462 7.031,463 0.213,464 0.166,465 0.051,466 0.3,472 0.603,473 1.195,474 0.687,475 1.034,476 0.631,477 0.854,478 0.745,479 1.01,480 0.615,481 0.754,482 0.557,483 0.787,484 1.092,485 1.255,486 0.975,487 1.12,488 1.093,489 1.04,490 0.911,491 1.197,492 0.748,493 0.94,494 0.909,495 1.006,496 0.804,497 0.921,498 0.64,499 0.768,500 0.766,501 0.806,502 0.955,503 1.035,504 0.956,505 1.004,506 0.85,507 0.998,508 1.08,509 0.891,510 0.894,511 0.936,512 1.192,513 0.929,514 1.12,515 0.878,516 1.058,517 1.003,518 1.053,519 0.98,520 8.5,521 0.208,522 4,523 2.729,524 2.091,525 1.542,526 0.971,527 0.572,528 0.503,529 0.289,530 14894,531 51937,532 2.036,533 38.9,535 16,538 2,539 3,542 1.755,543 1.877,544 3.61,545 0.282,550 102.418,551 1.897,552 3.935,553 4.68,554 5.171,555 5.245,556 5.32,557 3.11,558 4.681,559 5.007,560 3.808,561 2010.43,562 8.791,563 29889.7,568 310.764,569 1.628,570 4.954,571 0.236,572 0.007,573 0.077,574 0.054,575 0.041,576 0.03,577 0.019,578 0.012,579 0.012,580 0.008,581 0.497,582 0.33,583 0.88,584 1.151,585 174.987,586 0.048,587 -0.049,588 0.117,589 -0.04,590 -0.123,591 0.025,592 0.144,593 0.079,594 0.219,595 0.196,596 0.198,597 0.108,598 -0.138,599 -0.194,600 -0.069,601 -0.147,602 -0.136,603 -0.124,604 0.044,605 -0.16,606 0.033,607 -0.069,608 -0.004,609 -0.094,610 0.115,611 0.091,612 0.181,613 0.097,614 0.092,615 0.142,616 -0.021,617 0.003,618 -0.087,619 -0.037,620 0.03,621 -0.057,622 -0.104,623 0.085,624 0.007,625 0.052,626 -0.102,627 0.059,628 -0.131,629 0.085,630 -0.057,631 0.043,632 -0.099,633 0.033,634 4.786,635 5.893,636 0.606,637 37.835,638 1.021,639 1.118,640 2.977,641 8.863,642 0.719,643 3.611,644 3.97,645 4.22,646 4.511,647 4.736,648 4.852,649 5.004,650 5.159,651 5.273,652 5.38,653 7.459,654 0.683,655 505.06,656 3.611,657 5.176,658 6.028,659 6.929,660 7.808,661 8.714,662 9.606,663 10.517,664 11.417,665 12.332,666 7.4,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 54,705 24,706 2,707 36,709 57,710 22,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,747 21,748 7,749 2,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 33,808 1,810 2,811 2,812 1,820 1,824 1,825 7.4,828 3,830 1,832 17.583,833 10.293,834 7.153,835 2.908,836 3.694,837 1.466,838 1.003,839 7.167,840 11.618,841 3.922,842 4.595,843 5.152,844 5.775,845 6.271,846 6.616,847 7.016,848 7.457,849 7.802,850 8.171,851 0.889,852 51,853 12.468,854 5.618,855 7.965,856 22.877,857 18.841,859 2.465,860 81.361,864 223.651,865 171.329,866 52.855,867 39.149,868 80.458,870 37.085,871 134.244,872 343.257,873 52.855,874 19.708,875 22.222,876 91.094,877 107.231,878 28.637,879 43.621,880 254.929,882 223.651,883 187.099,884 80.458,885 76.234,887 223.651,888 80.458,891 34.497,892 119.534,893 38.875,894 70.426,895 223.651,896 133.313,897 210.477,899 5.807,900 223.651,901 60.527,902 106.771,903 34.416,904 136.269,905 223.651,906 133.313,907 210.477,909 0.589,910 0.332,911 0.178,912 0.102,913 25,914 12,915 0.14,916 8,917 1,918 1.1,919 4.292,920 308.707,921 0.1,922 20,923 160.465,924 1,927 1,928 23.858,929 9.913,930 5.45,931 1.284,932 131.537,933 16.185,934 4.554,937 0.969,938 3.1,939 1.722,940 34.416,941 567.441,942 49.5,945 -3.869,946 36.894,950 -0.087,952 55.145,953 60.352,954 0.33,955 0.684,956 0.813,957 0.899,958 0.911,959 0.924,960 5.172,961 1.955,962 6.057,963 5.991,964 4.654,965 5.283,966 2.263,967 6.921,968 4.526,969 6.431,970 1.41,971 7.654,972 5.032,973 4.443,974 5.394,975 1.593,976 8.102,977 4.229,978 7.79,979 1.346,980 9.361,981 4.141,982 6.337,983 7.64,984 2.986,985 11.164,986 6.087,987 9.192,988 1.177,989 11.137,990 3.874,991 6.929,992 8.572,993 3.032,994 13.195,995 6.578,996 10.628,997 1,998 12.961,999 2.792,1000 8.353,1001 10.352,1002 4.061,1003 15.861,1004 7.965,1005 12.091,1006 0.687,1007 14.818,1008 2.275,1009 9.296,1010 11.638,1011 4.414,1012 18.205,1013 8.805,1014 13.575,1015 0.659,1016 16.703,1017 1.671,1018 10.564,1019 13.261,1020 5.262,1021 20.761,1022 10.022,1023 3.431,1024 0.466,1025 18.607,1026 1.468,1027 11.66,1028 14.698,1029 5.757,1030 23.214,1031 11.023,1032 3.226,1033 12.608,1034 20.527,1035 0.766,1036 12.88,1037 16.269,1038 6.511,1039 25.739,1040 12.18,1041 2.68,1042 11.651,1043 22.46,1044 4.768,1045 14.042,1046 17.77,1047 7.078,1048 28.231,1049 13.254,1050 2.426,1051 8.049,1052 24.402,1053 4.632,1054 15.25,1055 19.324,1056 7.782,1057 30.747,1058 14.392,1059 2.413,1060 7.216,1061 26.352,1062 3.646,1063 16.441,1064 20.853,1065 8.386,1066 33.254,1067 15.5,1068 2.214,1069 6.797,1070 28.308,1071 3.424,1072 17.65,1073 22.402,1074 9.064,1075 35.769,1076 16.635,1077 2.038,1078 6.305,1079 30.268,1080 3.168,1081 18.854,1082 23.943,1083 9.687,1084 38.282,1085 17.76,1086 14466,1087 27307,1088 23.463,1089 38.847,1090 54.62,1091 56.235,1092 56.16,1093 54.413,1094 54.295,1095 74.059,1096 7.704,1097 161.372,1098 50.646,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.174,1107 5.193,1108 19.16,1109 1.517,1110 1.562,1111 1.56,1112 1.511,1113 1.508,1114 2.057,1115 0.214,1116 4.483,1117 1.407,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 3.999,1125 3.969,1126 4.168,1127 3.986,1128 7.43,1129 3.927,1130 3.915,1131 3.939,1132 4.078,1133 3.856,1134 6.999,1135 3.851,1136 3.599,1137 3.651,1138 3.851,1139 3.528,1140 5.048,1141 3.423,1142 3.559,1143 3.551,1144 3.505,1145 3.37,1146 4.885,1147 3.391,1148 3.418,1149 3.459,1150 3.349,1151 3.216,1152 4.725,1153 3.228,1154 3.227,1155 3.295,1156 3.169,1157 3.022,1158 4.595,1159 3.013,1160 3.155,1161 3.215,1162 3.066,1163 2.973,1164 4.261,1165 2.98,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.193,1184 1.965,1185 1.942,1186 2.068,1187 2.066,1188 1.242,1189 2.067,1190 1.905,1191 1.889,1192 1.988,1193 1.993,1194 1.146,1195 2.001,1196 1.73,1197 1.779,1198 1.751,1199 1.849,1200 0.947,1201 1.886,1202 1.526,1203 1.469,1204 1.62,1205 1.767,1206 0.868,1207 1.767,1208 1.42,1209 1.405,1210 1.599,1211 1.634,1212 0.703,1213 1.624,1214 1.372,1215 1.325,1216 1.553,1217 1.501,1218 0.606,1219 1.527,1220 1.191,1221 1.128,1222 1.393,1223 1.464,1224 0.576,1225 1.5,1226 1.142,1227 1.09,1228 1.304,1229 1.34,1230 0.493,1231 1.366,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.773,1238 7.535,1239 10.433,1241 3.002,1242 5.919,1247 0.868,1248 5.345,1249 5.477,1257 36.888,1258 102.418,1259 212.486,1260 252.725,1261 279.254,1262 283.254,1263 287.254,1264 74.735,1265 7.925,1266 102.32,1267 138.94,1268 22,1269 12.847,1270 4.644,1271 3.858,1272 54.268,1273 144,1274 177,1275 0.182,1276 236.711,1277 401.11,1278 569.336,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.613,1284 24.691,1285 20.221,1286 15.763,1287 0.438,1288 0.35,1289 9.98,1290 13.799,1291 9.46,1292 7.852,1293 17.281,1294 12.583,1295 14.998,1296 0.288,1297 0.209,1298 17.572,1299 10.875,1300 11.774,1301 0.176,1302 0.119,1303 14.164,1304 7.963,1305 9.835,1306 0.109,1307 0.065,1308 12.034,1309 5.833,1310 8.068,1311 0.071,1312 0.038,1313 10.472,1314 4.342,1315 0.286,1316 114.559,1317 0.206,1318 30.663,1319 0.501,1320 176,1321 584.822,1322 283.488,1323 631.084,1324 840.72,1325 582,1326 207,1327 547.747,1328 302.985,1329 615.773,1330 898.85,1331 574,1332 6.8}
{0 CHEMBL2018967,1 1.928,2 12.971,3 3.66,4 13.397,5 133.758,6 9.474,7 0.568,8 4.137,9 4.218,10 4.038,11 3.742,12 5.298,13 3.703,14 4.653,15 4.772,16 4.453,17 4.137,18 6.003,19 4.073,20 4.838,21 4.982,22 4.433,23 4.195,24 6.128,25 4.133,26 4.917,27 5.088,28 4.41,29 4.19,30 6.162,31 4.132,32 4.932,33 5.114,34 4.444,35 4.206,36 6.188,37 4.149,38 4.952,39 5.136,40 4.39,41 4.253,42 6.18,43 4.177,44 4.944,45 5.111,46 4.398,47 4.26,48 6.188,49 4.183,50 4.934,51 5.1,52 4.306,53 4.232,54 6.135,55 4.122,56 0.221,57 0.839,58 9.925,59 5.386,60 25.696,61 5.231,62 0.643,63 1.32,64 24.797,65 9.605,66 70.321,67 9.141,68 0.74,69 1.552,70 28.845,71 11.086,72 84.806,73 11.292,74 0.868,75 1.645,76 32.53,77 11.326,78 85.905,79 12.097,80 0.923,81 1.652,82 30.473,83 11.284,84 89.493,85 12.452,86 0.925,87 1.709,88 35.279,89 12.512,90 79.35,91 13.35,92 0.828,93 1.624,94 33.899,95 13.098,96 98.264,97 13.351,98 0.869,99 1.565,100 35.462,101 13.664,102 96.197,103 13.808,104 44,105 53,106 0.313,107 0.662,108 0.787,109 0.883,110 0.895,111 0.901,112 3.561,113 1.034,114 -3.47,115 -3.45,116 -3.29,119 40,124 1,125 3,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 2,172 13,176 10,179 2,180 1,181 4,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 7,208 2,209 11,212 1,214 4,217 8,221 11,224 1,226 4,227 11,230 1,231 8,236 4,238 9,241 1,242 6,245 1,246 1,247 1,249 9,252 2212,253 22.728,254 22.728,255 22.728,256 22.728,257 22.728,258 19.799,259 28.536,260 13.191,261 23.579,262 18.152,263 18.152,264 18.152,265 18.152,266 18.152,267 13.464,268 38.081,269 6.134,270 19.554,271 3.854,272 1.702,273 0.932,274 0.341,275 0.268,276 0.232,277 4.25,280 1,283 1,284 936,285 4.416,287 169.39,288 205.377,291 144.948,295 1.856,296 49.117,299 0.75,300 0.67,301 0.67,302 0.5,304 0.67,305 1,306 0.61,307 75.333,308 441,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.009,316 12.608,317 3.193,318 4.683,319 3.592,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.084,328 3.372,329 5.839,330 3.707,331 2.716,332 3.68,333 0.594,334 8.158,335 2.692,336 3.86,337 2.931,338 5.553,339 3.383,340 2.422,341 3.424,342 0.522,343 7.42,344 2.342,345 3.736,346 2.895,347 5.365,348 3.269,349 2.411,350 3.159,351 0.229,352 6.797,353 2.218,354 3.627,355 2.663,356 5.116,357 3.248,358 2.289,359 2.82,361 6.111,362 2.002,363 3.389,364 2.387,365 5.065,366 2.981,367 2.021,368 2.734,370 5.987,371 1.941,372 3.305,373 2.145,374 4.892,375 2.892,376 1.933,377 2.556,379 5.604,380 1.819,381 2.8,382 1.645,383 4.518,384 2.373,385 1.419,386 1.892,388 4.115,389 1.349,390 2.774,391 1.613,392 4.439,393 2.239,394 1.349,395 1.874,397 3.874,398 1.185,399 2.659,400 1.425,401 3.732,402 2.179,403 1.189,404 1.73,406 2.798,407 1.176,408 2.63,409 1.317,410 3.502,411 2.125,412 1.176,413 1.675,415 2.636,416 1.035,417 2.179,418 1.217,419 3.283,420 1.634,421 0.715,422 1.019,424 1.671,425 0.652,426 1.829,427 1.046,428 3.143,429 1.56,430 0.687,431 0.769,433 1.465,434 0.578,435 1.64,436 0.953,437 3.13,438 1.343,439 0.469,440 0.531,442 0.768,443 0.406,444 16.648,445 0.49,446 0.957,447 0.028,448 45.25,449 1.331,450 23.5,451 0.691,452 21.75,453 0.64,454 29.731,455 0.874,456 36.752,457 0.668,458 38.7,459 1.138,460 8.987,461 0.264,462 7.314,463 0.215,464 0.153,465 0.05,466 0.294,472 0.686,473 1.184,474 0.695,475 1.019,476 0.707,477 0.837,478 0.809,479 1.024,480 0.649,481 0.766,482 0.653,483 0.814,484 0.902,485 1.246,486 0.94,487 1.112,488 0.892,489 1.036,490 0.926,491 1.164,492 0.757,493 0.907,494 0.922,495 0.98,496 0.812,497 1.045,498 0.683,499 0.85,500 0.781,501 0.914,502 0.887,503 0.886,504 0.884,505 0.874,506 0.743,507 0.867,508 1.064,509 0.937,510 0.888,511 0.952,512 1.14,513 0.943,514 1.115,515 1.051,516 1.075,517 1.082,518 1.126,519 1.112,520 8.5,521 0.27,522 4,523 2.979,524 2.011,525 1.487,526 0.974,527 0.599,528 0.528,529 0.325,530 15771,531 58394,532 2.035,533 38.2,535 18,538 3,542 1.764,543 1.88,544 3.621,545 0.928,550 106.019,551 1.928,552 4.08,553 4.849,554 5.44,555 5.513,556 5.549,557 3.089,558 4.793,559 5.053,560 3.788,561 2125.24,562 8.89,563 32199.4,568 317.975,569 1.611,570 4.999,571 0.23,572 0.008,573 0.075,574 0.056,575 0.038,576 0.028,577 0.018,578 0.011,579 0.011,580 0.008,581 0.485,582 0.33,583 0.88,584 1.281,585 181.487,586 -0.004,587 -0.026,588 0.103,589 -0.012,590 -0.139,591 0.042,592 0.068,593 0.075,594 0.177,595 0.191,596 0.112,597 0.077,598 -0.01,599 -0.184,600 -0.034,601 -0.133,602 -0.003,603 -0.105,604 -0.006,605 -0.119,606 0.026,607 -0.036,608 -0.035,609 -0.065,610 0.063,611 -0.024,612 0.116,613 0.009,614 0.042,615 0.024,616 -0.017,617 0.157,618 -0.009,619 0.08,620 0.045,621 0.098,622 -0.124,623 0.054,624 -0.016,625 0.023,626 -0.106,627 0.031,628 -0.147,629 -0.089,630 -0.124,631 -0.062,632 -0.141,633 -0.114,634 4.818,635 5.92,636 0.588,637 37.536,638 1.027,639 1.119,640 2.238,641 5.009,642 0.715,643 3.638,644 3.989,645 4.248,646 4.533,647 4.745,648 4.875,649 5.03,650 5.176,651 5.308,652 5.407,653 7.425,654 0.684,655 521.06,656 3.638,657 5.198,658 6.052,659 6.95,660 7.828,661 8.734,662 9.625,663 10.536,664 11.435,665 12.349,666 7.3,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 55,705 24,706 2,707 37,709 58,710 22,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,747 21,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,762 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 1,802 1,805 34,808 1,809 1,810 3,811 2,812 1,820 1,824 1,825 9.1,826 1,828 3,830 1,832 18.083,833 9.993,834 7.486,835 2.883,836 3.737,837 1.468,838 0.982,839 7.669,840 11.726,841 3.942,842 4.605,843 5.169,844 5.785,845 6.269,846 6.624,847 7.026,848 7.461,849 7.817,850 8.173,851 0.889,852 53,853 12.86,854 5.824,855 8.055,856 23.394,857 19.259,859 2.555,860 86.861,864 211.88,865 162.503,866 52.855,867 39.149,868 123.141,870 37.085,871 125.418,872 374.17,873 52.855,874 10.883,875 22.222,876 133.777,877 107.231,878 28.637,879 43.621,880 243.158,882 211.88,883 178.274,884 123.141,885 76.234,887 211.88,888 80.458,889 42.683,891 25.672,892 119.534,893 38.875,894 70.426,895 211.88,896 175.996,897 201.652,899 5.807,900 211.88,901 60.527,902 97.946,903 34.416,904 178.953,905 211.88,906 175.996,907 201.652,909 0.585,910 0.34,911 0.178,912 0.099,913 25,914 12,915 0.155,916 9,917 1,918 1.1,919 4.342,920 322.293,921 0.1,922 20,923 170.974,924 1,927 1,928 24.789,929 10.519,930 5.68,931 1.211,932 174.22,933 15.849,934 4.543,937 0.952,938 2.803,939 1.683,940 77.099,941 589.528,942 50.5,945 -3.901,946 37.18,950 -0.459,952 56.473,953 61.561,954 0.333,955 0.706,956 0.839,957 0.941,958 0.954,959 0.96,960 5.189,961 1.933,962 6.075,963 5.987,964 4.673,965 5.293,966 2.378,967 6.938,968 4.544,969 6.442,970 1.419,971 7.672,972 5.604,973 4.443,974 5.394,975 1.593,976 8.113,977 4.229,978 7.8,979 1.349,980 9.378,981 4.115,982 6.354,983 7.646,984 3.217,985 11.178,986 6.105,987 9.201,988 1.189,989 11.153,990 3.874,991 6.938,992 8.576,993 3.201,994 13.203,995 6.59,996 10.637,997 1.176,998 12.975,999 2.798,1000 8.368,1001 10.356,1002 4.402,1003 15.869,1004 7.982,1005 12.1,1006 0.715,1007 14.832,1008 2.636,1009 9.307,1010 11.642,1011 4.719,1012 18.21,1013 8.822,1014 13.583,1015 0.687,1016 16.714,1017 1.671,1018 10.576,1019 13.265,1020 5.702,1021 20.765,1022 10.04,1023 3.431,1024 0.469,1025 18.617,1026 1.465,1027 11.67,1028 14.702,1029 6.184,1030 23.217,1031 11.04,1032 3.227,1033 12.608,1034 20.536,1035 0.768,1036 12.889,1037 16.272,1038 7.047,1039 25.741,1040 12.197,1041 2.716,1042 11.652,1043 22.467,1044 4.768,1045 14.05,1046 17.773,1047 7.619,1048 28.232,1049 13.27,1050 2.422,1051 8.158,1052 24.408,1053 4.632,1054 15.258,1055 19.327,1056 8.414,1057 30.748,1058 14.407,1059 2.411,1060 7.42,1061 26.357,1062 3.68,1063 16.447,1064 20.855,1065 9.038,1066 33.254,1067 15.514,1068 2.289,1069 6.797,1070 28.312,1071 3.424,1072 17.655,1073 22.404,1074 9.793,1075 35.77,1076 16.648,1077 2.021,1078 6.111,1079 30.271,1080 3.159,1081 18.858,1082 23.944,1083 10.447,1084 38.283,1085 17.772,1086 15357,1087 29794,1088 24.156,1089 39.301,1090 55.394,1091 58.015,1092 57.928,1093 55.268,1094 55.228,1095 74.903,1096 8.428,1097 163.783,1098 51.412,1099 5.737,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.551,1106 20.175,1107 5.193,1108 19.451,1109 1.497,1110 1.568,1111 1.566,1112 1.494,1113 1.493,1114 2.024,1115 0.228,1116 4.427,1117 1.39,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.969,1126 4.168,1127 3.986,1128 7.43,1129 3.927,1130 3.915,1131 3.939,1132 4.079,1133 3.856,1134 6.999,1135 3.851,1136 3.611,1137 3.65,1138 3.852,1139 3.528,1140 6.45,1141 3.423,1142 3.56,1143 3.551,1144 3.53,1145 3.361,1146 5.048,1147 3.393,1148 3.421,1149 3.46,1150 3.353,1151 3.216,1152 4.885,1153 3.23,1154 3.227,1155 3.294,1156 3.169,1157 3.011,1158 4.725,1159 3.007,1160 3.169,1161 3.229,1162 3.066,1163 2.975,1164 4.595,1165 2.981,1166 0.132,1167 0.127,1168 0.198,1169 0.117,1170 0.093,1171 4.882,1172 0.129,1173 4.689,1174 0.054,1175 7.322,1176 0.341,1177 4.347,1178 0.086,1179 3.431,1180 4.768,1181 2.009,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.067,1188 1.246,1189 2.067,1190 1.905,1191 1.889,1192 1.988,1193 1.992,1194 1.146,1195 2,1196 1.73,1197 1.778,1198 1.697,1199 1.847,1200 0.945,1201 1.885,1202 1.507,1203 1.461,1204 1.615,1205 1.771,1206 0.851,1207 1.753,1208 1.419,1209 1.405,1210 1.588,1211 1.638,1212 0.691,1213 1.623,1214 1.37,1215 1.326,1216 1.537,1217 1.501,1218 0.606,1219 1.527,1220 1.185,1221 1.12,1222 1.411,1223 1.464,1224 0.577,1225 1.497,1226 1.141,1227 1.089,1228 1.334,1229 1.379,1230 0.535,1231 1.391,1232 4.317,1233 5.659,1234 3.045,1235 7.183,1236 5.416,1237 8.792,1238 7.535,1239 10.451,1241 1.508,1242 5.918,1246 8.874,1247 0.046,1248 5.182,1249 5.473,1257 37.602,1258 106.019,1259 224.387,1260 266.691,1261 299.22,1262 303.22,1263 305.22,1264 82.925,1265 7.989,1266 122.55,1267 159.17,1268 22,1269 12.865,1270 4.644,1271 3.858,1272 56.691,1273 148,1274 184,1275 0.185,1276 240.708,1277 409.9,1278 579.086,1279 33065,1280 1.8,1281 24.294,1282 0.715,1283 0.599,1284 25.398,1285 20.375,1286 16.301,1287 0.441,1288 0.345,1289 10.128,1290 14.269,1291 9.668,1292 7.99,1293 17.819,1294 12.753,1295 15.129,1296 0.285,1297 0.206,1298 17.704,1299 10.904,1300 12.311,1301 0.178,1302 0.116,1303 14.702,1304 8.023,1305 10.113,1306 0.11,1307 0.065,1308 12.312,1309 5.939,1310 8.092,1311 0.071,1312 0.038,1313 10.496,1314 4.323,1315 0.289,1316 118.494,1317 0.203,1318 31.293,1319 0.511,1320 180,1321 620.972,1322 288.927,1323 661.263,1324 875.26,1325 610,1326 212,1327 563.262,1328 309.979,1329 630.871,1330 923.19,1331 588,1332 7.68}
{0 CHEMBL2018968,1 1.898,2 13.086,3 4.038,4 16.303,5 138.176,6 9.226,7 0.553,8 4.182,9 4.267,10 4.058,11 3.783,12 5.327,13 3.74,14 4.705,15 4.832,16 4.481,17 4.179,18 6.037,19 4.114,20 4.91,21 5.059,22 4.468,23 4.239,24 6.204,25 4.178,26 4.987,27 5.165,28 4.43,29 4.227,30 6.23,31 4.169,32 4.972,33 5.156,34 4.459,35 4.245,36 6.209,37 4.182,38 5.009,39 5.204,40 4.417,41 4.298,42 6.209,43 4.217,44 4.985,45 5.148,46 4.428,47 4.315,48 6.222,49 4.234,50 5.012,51 5.189,52 4.338,53 4.297,54 6.178,55 4.179,56 0.211,57 0.878,58 11.146,59 5.735,60 25.691,61 5.82,62 0.621,63 1.386,64 27.062,65 10.253,66 70.269,67 10.248,68 0.775,69 1.641,70 32.176,71 11.909,72 91.877,73 12.457,74 0.951,75 1.739,76 36.367,77 11.912,78 101.036,79 12.909,80 0.899,81 1.713,82 32.577,83 11.807,84 89.635,85 13.47,86 0.924,87 1.79,88 38.945,89 13.371,90 84.605,91 14.906,92 0.778,93 1.699,94 34.77,95 13.601,96 94.145,97 14.248,98 0.861,99 1.682,100 39.466,101 14.816,102 98.843,103 15.747,104 57,105 55,106 0.305,107 0.656,108 0.792,109 0.882,110 0.893,111 0.899,112 3.589,113 1.043,114 -3.68,115 -3.65,116 -3.47,119 39.7,120 1,124 1,125 2,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 3,172 13,176 11,179 2,180 1,181 5,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 8,208 2,209 11,212 1,214 4,217 10,221 11,224 1,226 4,227 13,230 1,231 8,236 4,238 10,241 1,242 7,245 1,246 1,247 1,249 9,252 2417,253 23.065,254 23.065,255 23.065,256 23.065,257 23.065,258 20.16,259 29.342,260 13.3,261 23.95,262 18.683,263 18.683,264 18.683,265 18.683,266 18.683,267 14.033,268 39.48,269 6.229,270 20.125,271 3.96,272 1.778,273 0.932,274 0.371,275 0.302,276 0.267,277 4.276,280 1,283 1,284 969,285 4.637,287 175.719,288 213.977,291 150.748,295 1.927,296 51.003,299 0.75,300 0.67,301 0.67,302 0.5,304 0.67,305 1,306 0.61,307 77.333,308 458,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.009,316 12.608,317 3.193,318 4.683,319 3.721,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.087,328 3.372,329 5.84,330 3.724,331 2.735,332 3.68,333 0.594,334 8.162,335 2.704,336 3.86,337 2.933,338 5.745,339 3.605,340 2.618,341 3.424,342 0.522,343 7.538,344 2.573,345 3.853,346 2.895,347 5.538,348 3.321,349 2.418,350 3.161,351 0.229,352 7.281,353 2.25,354 3.722,355 2.665,356 5.365,357 3.249,358 2.371,359 3.027,361 6.797,362 2.004,363 3.391,364 2.391,365 5.116,366 3.002,367 2.041,368 2.735,370 6.016,371 1.956,372 3.317,373 2.149,374 4.991,375 2.896,376 1.946,377 2.576,379 5.853,380 1.819,381 2.801,382 2.071,383 4.52,384 2.385,385 1.432,386 1.893,388 4.122,389 1.359,390 2.777,391 1.644,392 4.439,393 2.242,394 1.352,395 1.876,397 3.874,398 1.2,399 2.66,400 1.613,401 3.736,402 2.211,403 1.254,404 1.731,406 2.876,407 1.184,408 2.631,409 1.317,410 3.675,411 2.126,412 1.177,413 1.675,415 2.781,416 1.106,417 2.382,418 1.217,419 3.483,420 2.121,421 1.143,422 1.328,424 2.554,425 1.035,426 2.179,427 1.05,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.731,436 0.953,437 3.143,438 1.391,439 0.47,440 0.532,442 0.868,443 0.407,444 17.148,445 0.49,446 1.084,447 0.031,448 45.75,449 1.307,450 23.5,451 0.671,452 22.25,453 0.636,454 32.157,455 0.919,456 38.052,457 0.656,458 39.642,459 1.133,460 8.928,461 0.255,462 7.746,463 0.221,464 0.178,465 0.049,466 0.315,472 0.679,473 1.195,474 0.7,475 1.03,476 0.716,477 0.858,478 0.777,479 1.041,480 0.631,481 0.786,482 0.626,483 0.817,484 0.983,485 1.262,486 0.933,487 1.106,488 0.976,489 1.03,490 1.056,491 1.107,492 0.783,493 0.861,494 1.088,495 0.945,496 0.808,497 1.061,498 0.69,499 0.866,500 0.781,501 0.928,502 0.861,503 0.853,504 0.847,505 0.838,506 0.722,507 0.818,508 1.06,509 0.98,510 0.902,511 0.988,512 1.144,513 0.986,514 1.063,515 1.034,516 1.032,517 1.056,518 1.079,519 1.084,520 9,521 0.286,522 4.444,523 3.104,524 2.011,525 1.598,526 1.015,527 0.653,528 0.549,529 0.345,530 17152,531 61039,532 2.017,533 39.7,535 17,538 3,540 3,542 1.771,543 1.85,544 3.646,545 0.905,550 110.069,551 1.898,552 4.08,553 4.926,554 5.487,555 5.556,556 5.591,557 3.109,558 4.901,559 5.096,560 3.834,561 2281.4,562 8.971,563 35489.8,568 339.763,569 1.652,570 5.033,571 0.237,572 0.008,573 0.081,574 0.056,575 0.037,576 0.03,577 0.018,578 0.012,579 0.011,580 0.009,581 0.499,582 0.33,583 0.88,584 1.287,585 188.916,586 0.004,587 -0.027,588 0.107,589 -0.011,590 -0.146,591 0.04,592 0.098,593 0.059,594 0.201,595 0.177,596 0.139,597 0.09,598 -0.024,599 -0.207,600 -0.026,601 -0.129,602 -0.013,603 -0.099,604 -0.055,605 -0.058,606 0.01,607 0.006,608 -0.082,609 -0.04,610 0.07,611 -0.035,612 0.11,613 -0.004,614 0.045,615 0.008,616 0.006,617 0.183,618 0.034,619 0.118,620 0.062,621 0.154,622 -0.124,623 0.026,624 -0.044,625 -0.015,626 -0.112,627 -0.023,628 -0.117,629 -0.074,630 -0.09,631 -0.043,632 -0.119,633 -0.08,634 4.822,635 5.944,636 0.571,637 39.722,638 1.023,639 1.12,640 2.449,641 5.999,642 0.708,643 3.664,644 4.025,645 4.277,646 4.543,647 4.754,648 4.89,649 5.043,650 5.193,651 5.323,652 5.429,653 7.66,654 0.675,655 535.09,656 3.664,657 5.231,658 6.084,659 6.982,660 7.86,661 8.764,662 9.653,663 10.562,664 11.459,665 12.372,666 6.9,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 58,705 24,706 2,707 38,709 61,710 23,711 17,712 5,713 7,717 4,718 5,719 1,721 1,727 1,729 18,730 5,733 3,736 1,737 3,741 1,747 23,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,763 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 2,802 1,805 35,808 1,809 1,810 2,811 2,812 1,814 1,820 1,824 1,825 8.6,826 1,828 3,830 1,832 18.917,833 10.826,834 7.597,835 3.141,836 3.744,837 1.465,838 0.969,839 7.906,840 11.794,841 3.961,842 4.625,843 5.186,844 5.788,845 6.271,846 6.628,847 7.03,848 7.466,849 7.822,850 8.181,851 0.889,852 55,853 13.259,854 6.02,855 8.034,856 24.151,857 19.93,859 2.534,860 88.694,864 235.422,865 171.329,866 52.855,867 39.149,868 123.141,870 37.085,871 134.244,872 397.712,873 52.855,874 19.708,875 22.222,876 133.777,877 107.231,878 28.637,879 43.621,880 266.7,882 235.422,883 187.099,884 123.141,885 76.234,887 200.109,888 115.771,889 42.683,891 34.497,892 119.534,893 38.875,894 70.426,895 235.422,896 175.996,897 210.477,899 5.807,900 235.422,901 60.527,902 106.771,903 34.416,904 178.953,905 235.422,906 175.996,907 210.477,909 0.592,910 0.341,911 0.173,912 0.095,913 26,914 13,915 0.148,916 9,917 1,918 1.1,919 4.401,920 334.662,921 0.1,922 20,923 177.525,924 1,927 1,928 25.759,929 10.742,930 5.914,931 1.209,932 174.22,933 15.869,934 4.553,937 0.952,938 2.795,939 1.685,940 77.099,941 621.896,942 51.5,945 -3.906,946 37.557,950 -0.454,952 59.356,953 64.976,954 0.324,955 0.697,956 0.841,957 0.937,958 0.948,959 0.954,960 5.216,961 1.946,962 6.116,963 6.016,964 4.71,965 5.313,966 2.378,967 6.98,968 4.581,969 6.472,970 1.432,971 7.717,972 5.853,973 4.511,974 5.421,975 1.593,976 8.152,977 4.296,978 7.829,979 1.352,980 9.427,981 4.122,982 6.395,983 7.66,984 3.217,985 11.211,986 6.15,987 9.229,988 1.254,989 11.204,990 3.874,991 6.995,992 8.591,993 3.201,994 13.226,995 6.655,996 10.664,997 1.177,998 13.026,999 2.876,1000 8.411,1001 10.366,1002 4.402,1003 15.887,1004 8.035,1005 12.125,1006 1.143,1007 14.88,1008 2.781,1009 9.353,1010 11.65,1011 4.719,1012 18.221,1013 8.881,1014 13.607,1015 0.687,1016 16.758,1017 2.554,1018 10.614,1019 13.27,1020 5.702,1021 20.773,1022 10.092,1023 3.431,1024 0.47,1025 18.657,1026 1.671,1027 11.705,1028 14.707,1029 6.184,1030 23.222,1031 11.091,1032 3.227,1033 12.608,1034 20.571,1035 0.868,1036 12.919,1037 16.275,1038 7.047,1039 25.744,1040 12.242,1041 2.735,1042 11.652,1043 22.497,1044 4.768,1045 14.075,1046 17.775,1047 7.619,1048 28.234,1049 13.311,1050 2.618,1051 8.162,1052 24.434,1053 4.632,1054 15.279,1055 19.328,1056 8.414,1057 30.75,1058 14.444,1059 2.418,1060 7.538,1061 26.379,1062 3.68,1063 16.465,1064 20.856,1065 9.038,1066 33.255,1067 15.547,1068 2.371,1069 7.281,1070 28.33,1071 3.424,1072 17.67,1073 22.405,1074 9.793,1075 35.77,1076 16.677,1077 2.041,1078 6.797,1079 30.286,1080 3.161,1081 18.87,1082 23.945,1083 10.447,1084 38.283,1085 17.797,1086 16726,1087 31831,1088 24.561,1089 41.063,1090 57.82,1091 59.896,1092 59.615,1093 57.49,1094 57.378,1095 77.069,1096 8.428,1097 170.838,1098 53.447,1099 5.755,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.551,1106 20.175,1107 5.193,1108 21.508,1109 1.522,1110 1.576,1111 1.569,1112 1.513,1113 1.51,1114 2.028,1115 0.222,1116 4.496,1117 1.407,1118 4.169,1119 4.193,1120 4.793,1121 4.131,1122 7.717,1123 4.064,1124 4,1125 3.97,1126 4.168,1127 3.986,1128 7.43,1129 3.927,1130 3.917,1131 3.94,1132 4.079,1133 3.857,1134 6.999,1135 3.852,1136 3.676,1137 3.712,1138 3.853,1139 3.528,1140 6.444,1141 3.484,1142 3.56,1143 3.553,1144 3.59,1145 3.461,1146 5.048,1147 3.422,1148 3.431,1149 3.473,1150 3.359,1151 3.236,1152 4.885,1153 3.245,1154 3.258,1155 3.335,1156 3.17,1157 3.061,1158 4.725,1159 3.056,1160 3.217,1161 3.282,1162 3.096,1163 2.986,1164 4.595,1165 2.992,1166 0.128,1167 0.123,1168 0.193,1169 0.114,1170 0.09,1171 4.882,1172 0.125,1173 4.689,1174 0.053,1175 7.322,1176 0.332,1177 4.347,1178 0.084,1179 3.431,1180 4.768,1181 2.009,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.067,1188 1.246,1189 2.068,1190 1.905,1191 1.889,1192 1.988,1193 1.993,1194 1.146,1195 2.001,1196 1.73,1197 1.779,1198 1.813,1199 1.859,1200 0.953,1201 1.886,1202 1.594,1203 1.552,1204 1.627,1205 1.815,1206 0.933,1207 1.821,1208 1.43,1209 1.406,1210 1.605,1211 1.651,1212 0.815,1213 1.644,1214 1.388,1215 1.346,1216 1.561,1217 1.502,1218 0.608,1219 1.527,1220 1.228,1221 1.16,1222 1.465,1223 1.495,1224 0.585,1225 1.52,1226 1.166,1227 1.091,1228 1.336,1229 1.435,1230 0.555,1231 1.458,1232 4.344,1233 5.694,1234 3.045,1235 7.22,1236 5.416,1237 8.83,1238 7.535,1239 10.486,1241 2.913,1242 5.925,1246 9.36,1247 0.605,1248 5.236,1249 5.481,1251 -1.087,1257 39.129,1258 110.069,1259 236.65,1260 285.724,1261 318.253,1262 322.253,1263 324.253,1264 90.379,1265 8.049,1266 122.55,1267 159.17,1268 22,1269 12.889,1270 4.644,1271 3.858,1272 59.323,1273 157,1274 177,1275 0.181,1276 250.3,1277 427.2,1278 602.492,1279 35959,1280 1.7,1281 25.165,1282 0.719,1283 0.607,1284 26.268,1285 21.246,1286 16.674,1287 0.439,1288 0.348,1289 10.586,1290 14.653,1291 10.076,1292 8.345,1293 18.192,1294 13.207,1295 15.837,1296 0.288,1297 0.207,1298 18.412,1299 11.363,1300 12.715,1301 0.179,1302 0.116,1303 15.105,1304 8.236,1305 10.22,1306 0.11,1307 0.065,1308 12.42,1309 6.019,1310 8.136,1311 0.071,1312 0.038,1313 10.54,1314 4.356,1315 0.284,1316 120.601,1317 0.202,1318 32.093,1319 0.498,1320 186,1321 626.972,1322 295.591,1323 668.478,1324 886.64,1325 616,1326 219,1327 576.02,1328 317.81,1329 643.006,1330 941.73,1331 600,1332 6.2}
{0 CHEMBL2018969,1 1.869,2 13.194,3 4.243,4 18.001,5 142.813,6 9.002,7 0.538,8 4.225,9 4.314,10 4.078,11 3.822,12 5.357,13 3.775,14 4.756,15 4.889,16 4.518,17 4.226,18 6.072,19 4.162,20 4.98,21 5.121,22 4.507,23 4.301,24 6.286,25 4.238,26 5.101,27 5.304,28 4.45,29 4.281,30 6.311,31 4.213,32 5.011,33 5.198,34 4.475,35 4.283,36 6.23,37 4.214,38 5.063,39 5.268,40 4.442,41 4.341,42 6.237,43 4.256,44 5.025,45 5.184,46 4.458,47 4.367,48 6.256,49 4.283,50 5.083,51 5.271,52 4.37,53 4.358,54 6.221,55 4.234,56 0.202,57 0.917,58 12.345,59 6.085,60 25.367,61 6.403,62 0.601,63 1.453,64 29.403,65 10.894,66 70.945,67 11.325,68 0.778,69 1.746,70 33.768,71 12.66,72 94.509,73 13.429,74 1.086,75 1.899,76 44.066,77 13.388,78 122.751,79 15.181,80 0.876,81 1.775,82 34.628,83 12.336,84 89.886,85 14.471,86 0.922,87 1.871,88 42.315,89 14.205,90 88.825,91 16.388,92 0.73,93 1.775,94 35.808,95 14.139,96 90.991,97 15.18,98 0.851,99 1.799,100 43.253,101 15.948,102 101.122,103 17.625,104 72,105 58,106 0.298,107 0.644,108 0.771,109 0.855,110 0.866,111 0.871,112 3.616,113 1.043,114 -3.89,115 -3.84,116 -3.65,119 39.3,120 2,124 1,125 2,129 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 4,172 14,176 12,179 2,180 1,181 6,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 9,208 2,209 11,212 1,214 4,217 12,221 11,224 1,226 4,227 15,230 1,231 8,236 4,238 11,241 1,242 8,245 1,246 1,247 1,249 9,252 2608,253 23.33,254 23.33,255 23.33,256 23.33,257 23.33,258 20.439,259 30.148,260 13.278,261 24.216,262 19.182,263 19.182,264 19.182,265 19.182,266 19.182,267 14.561,268 41.527,269 6.22,270 20.64,271 4.061,272 1.888,273 1.095,274 0.562,275 0.496,276 0.463,277 4.3,280 1,283 1,284 1002,285 4.95,287 182.048,288 222.577,291 156.548,295 1.994,296 52.804,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 79.333,308 475,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.009,316 12.608,317 3.193,318 4.683,319 4.025,320 7.053,321 4.256,322 3.285,323 4.632,324 0.86,325 11.652,326 3.176,327 4.376,328 3.372,329 6.925,330 4.168,331 3.227,332 3.683,333 0.594,334 11.338,335 2.971,336 4.078,337 2.939,338 5.839,339 3.699,340 2.707,341 3.501,342 0.522,343 8.157,344 2.685,345 3.86,346 2.896,347 5.549,348 3.331,349 2.418,350 3.424,351 0.229,352 7.409,353 2.259,354 3.727,355 2.709,356 5.365,357 3.249,358 2.381,359 3.158,361 6.797,362 2.008,363 3.393,364 2.615,365 5.116,366 3.021,367 2.058,368 2.735,370 6.023,371 1.968,372 3.33,373 2.381,374 5.002,375 2.9,376 1.955,377 2.59,379 5.893,380 1.82,381 2.882,382 2.144,383 4.525,384 2.56,385 1.578,386 1.915,388 4.222,389 1.532,390 2.799,391 1.645,392 4.44,393 2.358,394 1.401,395 1.886,397 4.028,398 1.334,399 2.763,400 1.613,401 4.366,402 2.239,403 1.346,404 1.82,406 3.874,407 1.185,408 2.656,409 1.317,410 3.732,411 2.171,412 1.178,413 1.72,415 2.796,416 1.168,417 2.629,418 1.217,419 3.5,420 2.125,421 1.174,422 1.673,424 2.619,425 1.035,426 2.179,427 1.051,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.747,436 0.953,437 3.143,438 1.427,439 0.47,440 0.535,442 0.995,443 0.425,444 17.648,445 0.49,446 1.283,447 0.036,448 46.25,449 1.285,450 23.5,451 0.653,452 22.75,453 0.632,454 35.062,455 0.974,456 39.352,457 0.645,458 40.699,459 1.131,460 8.886,461 0.247,462 8.088,463 0.225,464 0.201,465 0.076,466 0.278,472 0.674,473 1.205,474 0.706,475 1.041,476 0.725,477 0.878,478 0.747,479 1.027,480 0.599,481 0.775,482 0.594,483 0.78,484 1.068,485 1.35,486 0.969,487 1.173,488 1.068,489 1.122,490 1.112,491 0.996,492 0.761,493 0.773,494 1.174,495 0.862,496 0.805,497 1.076,498 0.696,499 0.883,500 0.781,501 0.941,502 0.839,503 0.824,504 0.815,505 0.805,506 0.704,507 0.777,508 1.056,509 1.02,510 0.916,511 1.023,512 1.149,513 1.027,514 1.02,515 1.019,516 0.996,517 1.035,518 1.04,519 1.061,520 10.5,521 0.329,522 4.889,523 3.229,524 2.091,525 1.709,526 1.097,527 0.731,528 0.594,529 0.385,530 18537,531 63688,532 1.994,533 41,535 16,538 3,540 6,542 1.777,543 1.815,544 3.653,545 0.883,550 114.03,551 1.869,552 4.043,553 4.836,554 5.369,555 5.435,556 5.467,557 3.116,558 4.927,559 5.138,560 3.869,561 2437.4,562 9.051,563 38845.8,568 361.775,569 1.747,570 5.06,571 0.269,572 0.009,573 0.084,574 0.057,575 0.038,576 0.031,577 0.019,578 0.013,579 0.012,580 0.009,581 0.541,582 0.33,583 0.88,584 1.288,585 196.271,586 0.011,587 -0.028,588 0.11,589 -0.01,590 -0.153,591 0.038,592 0.128,593 0.076,594 0.239,595 0.194,596 0.172,597 0.141,598 -0.051,599 -0.29,600 -0.079,601 -0.201,602 -0.041,603 -0.202,604 -0.066,605 0.031,606 0.052,607 0.09,608 -0.095,609 0.057,610 0.077,611 -0.045,612 0.104,613 -0.015,614 0.049,615 -0.005,616 0.025,617 0.207,618 0.07,619 0.151,620 0.077,621 0.2,622 -0.123,624 -0.068,625 -0.047,626 -0.117,627 -0.069,628 -0.094,629 -0.06,630 -0.063,631 -0.027,632 -0.101,633 -0.053,634 4.827,635 5.966,636 0.556,637 41.519,638 1.02,639 1.121,640 2.657,641 7.059,642 0.702,643 3.689,644 4.078,645 4.304,646 4.554,647 4.762,648 4.905,649 5.056,650 5.209,651 5.338,652 5.451,653 7.858,654 0.666,655 549.12,656 3.689,657 5.273,658 6.125,659 7.031,660 7.907,661 8.815,662 9.702,663 10.613,664 11.507,665 12.42,666 6.6,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 61,705 24,706 2,707 39,709 64,710 24,711 17,712 5,713 7,717 4,718 5,719 1,721 2,729 18,730 6,731 1,733 3,736 1,737 3,741 1,747 25,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,764 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 3,802 1,805 36,808 1,809 1,810 2,811 2,812 1,816 1,820 1,824 1,825 8.2,826 1,828 3,830 1,832 19.833,833 11.743,834 7.653,835 3.27,836 3.75,837 1.463,838 0.957,839 7.853,840 11.857,841 3.98,842 4.654,843 5.203,844 5.791,845 6.273,846 6.632,847 7.034,848 7.471,849 7.827,850 8.188,851 0.889,852 57,853 13.655,854 6.232,855 8.017,856 24.886,857 20.616,859 2.517,860 90.611,864 258.964,865 180.154,866 52.855,867 39.149,868 123.141,870 37.085,871 143.069,872 421.254,873 52.855,874 28.533,875 22.222,876 133.777,877 107.231,878 28.637,879 43.621,880 290.242,882 258.964,883 195.924,884 123.141,885 76.234,887 188.338,888 151.084,889 42.683,891 43.323,892 119.534,893 38.875,894 70.426,895 258.964,896 175.996,897 219.303,899 5.807,900 258.964,901 60.527,902 115.596,903 34.416,904 178.953,905 258.964,906 175.996,907 219.303,909 0.601,910 0.34,911 0.168,912 0.092,913 28,914 14,915 0.141,916 9,917 1,918 1.1,919 4.439,920 348.457,921 0.1,922 20,923 182.117,924 1,927 1,928 26.73,929 10.576,930 6.162,931 1.205,932 174.22,933 15.879,934 4.562,937 0.952,938 2.781,939 1.686,940 77.099,941 654.263,942 52.5,945 -3.911,946 37.924,950 -0.47,952 62.24,953 68.391,954 0.315,955 0.682,956 0.815,957 0.905,958 0.916,959 0.922,960 5.254,961 1.955,962 6.188,963 6.023,964 4.762,965 5.342,966 2.378,967 7.081,968 4.637,969 6.528,970 1.578,971 7.814,972 5.893,973 4.691,974 5.497,975 1.593,976 8.385,977 4.489,978 7.9,979 1.401,980 9.553,981 4.222,982 6.512,983 7.696,984 3.217,985 11.397,986 6.276,987 9.312,988 1.346,989 11.361,990 4.028,991 7.209,992 8.643,993 3.201,994 13.476,995 6.896,996 10.756,997 1.178,998 13.212,999 3.874,1000 8.6,1001 10.401,1002 4.402,1003 16.115,1004 8.25,1005 12.225,1006 1.174,1007 15.093,1008 2.796,1009 9.601,1010 11.686,1011 4.719,1012 18.463,1013 9.178,1014 13.712,1015 0.687,1016 16.995,1017 2.619,1018 10.858,1019 13.297,1020 5.702,1021 20.999,1022 10.389,1023 3.431,1024 0.47,1025 18.913,1026 1.671,1027 11.98,1028 14.73,1029 6.184,1030 23.443,1031 11.443,1032 3.285,1033 12.608,1034 20.843,1035 0.995,1036 13.195,1037 16.293,1038 7.047,1039 25.951,1040 12.605,1041 3.227,1042 11.652,1043 22.781,1044 4.768,1045 14.365,1046 17.79,1047 7.619,1048 28.429,1049 13.71,1050 2.707,1051 11.338,1052 24.727,1053 4.632,1054 15.57,1055 19.339,1056 8.414,1057 30.931,1058 14.857,1059 2.418,1060 8.157,1061 26.678,1062 3.683,1063 16.761,1064 20.865,1065 9.038,1066 33.424,1067 15.984,1068 2.381,1069 7.409,1070 28.633,1071 3.501,1072 17.965,1073 22.411,1074 9.793,1075 35.926,1076 17.128,1077 2.058,1078 6.797,1079 30.592,1080 3.424,1081 19.165,1082 23.95,1083 10.447,1084 38.427,1085 18.266,1086 18103,1087 33876,1088 24.849,1089 42.824,1090 60.175,1091 61.948,1092 61.387,1093 59.556,1094 59.455,1095 79.156,1096 8.428,1097 181.698,1098 55.486,1099 5.767,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.551,1106 20.175,1107 5.193,1108 23.414,1109 1.543,1110 1.588,1111 1.574,1112 1.527,1113 1.524,1114 2.03,1115 0.216,1116 4.659,1117 1.423,1118 4.17,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.97,1126 4.168,1127 3.986,1128 7.43,1129 3.927,1130 3.919,1131 3.943,1132 4.079,1133 3.857,1134 6.999,1135 3.853,1136 3.738,1137 3.772,1138 3.856,1139 3.559,1140 6.443,1141 3.574,1142 3.56,1143 3.554,1144 3.655,1145 3.528,1146 5.048,1147 3.423,1148 3.437,1149 3.482,1150 3.363,1151 3.244,1152 4.885,1153 3.252,1154 3.286,1155 3.361,1156 3.172,1157 3.081,1158 4.725,1159 3.081,1160 3.219,1161 3.285,1162 3.137,1163 2.987,1164 4.595,1165 2.993,1166 0.125,1167 0.12,1168 0.188,1169 0.111,1170 0.088,1171 4.882,1172 0.122,1173 4.689,1174 0.052,1175 7.322,1176 0.323,1177 4.347,1178 0.082,1179 3.431,1180 4.768,1181 2.009,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.068,1188 1.246,1189 2.068,1190 1.906,1191 1.89,1192 1.988,1193 1.995,1194 1.147,1195 2.002,1196 1.73,1197 1.779,1198 1.887,1199 1.892,1200 1.026,1201 1.896,1202 1.675,1203 1.637,1204 1.631,1205 1.831,1206 0.944,1207 1.869,1208 1.434,1209 1.406,1210 1.606,1211 1.658,1212 0.823,1213 1.652,1214 1.392,1215 1.353,1216 1.563,1217 1.516,1218 0.608,1219 1.529,1220 1.244,1221 1.177,1222 1.466,1223 1.5,1224 0.586,1225 1.527,1226 1.168,1227 1.091,1228 1.417,1229 1.44,1230 0.556,1231 1.463,1232 4.369,1233 5.74,1234 3.045,1235 7.281,1236 5.416,1237 8.9,1238 7.535,1239 10.563,1241 4.359,1242 5.932,1246 9.825,1247 0.586,1248 5.28,1249 5.49,1253 -1.469,1257 40.656,1258 114.03,1259 246.611,1260 294.981,1261 327.51,1262 331.51,1263 333.51,1264 99.063,1265 8.107,1266 122.55,1267 159.17,1268 22,1269 12.937,1270 4.644,1271 3.858,1272 62.005,1273 166,1274 170,1275 0.179,1276 259.892,1277 444.5,1278 625.897,1279 38855,1280 1.6,1281 26.087,1282 0.725,1283 0.616,1284 27.191,1285 22.168,1286 16.975,1287 0.435,1288 0.348,1289 10.938,1290 14.963,1291 10.341,1292 8.598,1293 18.493,1294 13.557,1295 16.883,1296 0.291,1297 0.211,1298 19.457,1299 12.211,1300 13.033,1301 0.179,1302 0.115,1303 15.423,1304 8.399,1305 10.307,1306 0.11,1307 0.065,1308 12.507,1309 6.081,1310 8.176,1311 0.07,1312 0.038,1313 10.579,1314 4.382,1315 0.281,1316 122.327,1317 0.201,1318 32.855,1319 0.489,1320 194,1321 634.972,1322 304.256,1323 678.87,1324 901.02,1325 624,1326 228,1327 590.777,1328 327.641,1329 660.237,1330 964.59,1331 614,1332 7.615}
{0 CHEMBL202085,1 1.665,2 13.733,3 3.841,4 14.753,5 122.244,6 8.026,7 0.364,8 4.125,9 4.258,10 3.756,11 3.645,12 5.135,13 3.617,14 4.712,15 4.909,16 4.141,17 4.065,18 5.693,19 4.002,20 5.018,21 5.257,22 4.229,23 4.229,24 5.955,25 4.124,26 5.03,27 5.274,28 4.198,29 4.147,30 6.045,31 4.033,32 4.932,33 5.188,34 3.937,35 4.047,36 5.881,37 3.941,38 4.87,39 5.121,40 3.934,41 4.052,42 5.754,43 3.924,44 4.881,45 5.163,46 3.851,47 3.998,48 5.731,49 3.841,50 4.744,51 5.038,52 3.857,53 3.823,54 5.627,55 3.699,56 0.045,57 0.862,58 11.044,59 4.707,60 6.192,61 6.57,62 0.351,63 1.383,64 23.793,65 8.178,66 25.513,67 11.658,68 0.496,69 1.632,70 39.267,71 11.749,72 43.485,73 16.723,74 0.705,75 1.552,76 46.228,77 11.431,78 74.483,79 15.951,80 0.646,81 1.456,82 35.808,83 9.965,84 63.961,85 14.296,86 0.464,87 1.41,88 33.474,89 9.991,90 41.848,91 14.614,92 0.452,93 1.338,94 35.606,95 10.864,96 47.783,97 15.953,98 0.481,99 1.136,100 32.951,101 8.84,102 40.485,103 13.274,104 10,105 45,106 0.275,107 0.587,108 0.758,109 0.849,110 0.872,111 0.872,112 3.44,113 1.012,114 -4.92,115 -4.83,116 -4.53,119 37.5,121 3,125 6,127 1,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 4,166 2,169 1,171 4,172 8,175 1,176 2,179 2,181 2,183 3,187 4,190 2,192 3,194 4,197 3,198 3,205 1,209 6,212 1,214 1,217 3,220 2,221 4,224 1,231 10,234 2,238 1,242 4,245 1,252 1584,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 18.797,259 29.674,260 12.151,261 21.124,262 16.276,263 16.276,264 16.276,265 16.276,266 16.276,267 13.769,268 43.148,269 5.778,270 17.491,271 4.142,272 2.262,273 1.227,274 0.679,275 0.536,276 0.536,277 4.138,279 2,282 1,283 1,284 893,285 3,288 430.239,295 2.351,296 29.003,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 64.667,308 412,309 4.237,310 3.836,311 6.396,312 3.956,313 3,314 3.881,315 1.985,316 9.692,317 2.881,318 4.18,319 3.269,320 6.163,321 3.809,322 2.875,323 3.725,324 0.8,325 9.147,326 2.658,327 4.089,328 3.127,329 6.059,330 3.756,331 2.83,332 3.27,333 0.657,334 8.708,335 2.599,336 3.61,337 2.766,338 5.332,339 3.337,340 2.402,341 2.839,342 0.624,343 6.89,344 2.241,345 3.451,346 2.604,347 5.216,348 3.11,349 2.18,350 2.748,351 0.375,352 6.317,353 2.026,354 3.226,355 2.456,356 4.955,357 2.981,358 2.095,359 2.256,361 5.8,362 1.777,363 2.876,364 2.184,365 4.346,366 2.582,367 1.623,368 1.991,370 4.134,371 1.553,372 2.821,373 2.019,374 4.165,375 2.394,376 1.482,377 1.905,379 3.743,380 1.313,381 2.65,382 1.587,383 3.864,384 2.311,385 1.378,386 1.669,388 3.23,389 1.235,390 2.386,391 1.433,392 3.493,393 2.067,394 1.116,395 1.371,397 2.566,398 1.058,399 2.053,400 1.162,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 2,409 1.159,410 3.324,411 1.959,412 1,413 1,415 2.136,416 0.956,417 2,418 1.146,419 3.247,420 1.729,421 0.749,422 0.885,424 1.782,425 0.715,426 1.962,427 0.994,428 3.236,429 1.664,430 0.708,431 0.852,433 1.715,434 0.662,435 1.261,436 0.436,437 2.581,438 0.863,444 14.662,445 0.489,446 0.661,447 0.022,448 35.25,449 1.175,450 14.5,451 0.483,452 20.75,453 0.692,454 28.633,455 0.954,456 33.338,457 0.595,458 24.923,459 0.831,460 6.629,461 0.221,462 7.969,463 0.266,464 0.12,466 0.293,472 0.748,473 1.612,474 0.606,475 1.056,476 0.538,477 0.975,478 0.802,479 1.124,480 0.708,481 0.897,482 0.551,483 0.946,484 0.965,485 1.077,486 0.865,487 0.952,488 0.883,489 0.964,490 1.323,491 1.043,492 0.951,493 0.982,494 1.667,495 1.017,496 1.289,497 0.867,498 0.816,499 0.777,500 1.626,501 0.887,502 0.84,503 1.064,504 0.83,505 1.017,506 0.721,507 1.06,508 0.593,509 0.986,510 0.712,511 0.906,512 0.433,513 0.931,514 0.605,515 0.833,516 0.607,517 0.753,518 0.479,519 0.727,520 5.5,521 0.136,522 3.556,523 1.75,524 1.289,525 0.792,526 0.422,527 0.46,528 0.312,529 0.166,530 13553,531 37850,532 2.107,533 46.4,534 2,535 17,537 1,538 2,540 4,542 1.723,543 2,544 3.726,545 0.276,547 1,550 93.252,551 1.665,552 3.545,553 4.58,554 5.129,555 5.272,556 5.272,557 3.203,558 4.548,559 4.877,560 3.903,561 1698.01,562 8.478,563 24773.3,565 1,568 325.212,569 1.295,570 4.851,571 0.167,572 0.005,573 0.079,574 0.038,575 0.033,576 0.022,577 0.012,578 0.015,579 0.01,580 0.006,581 0.388,582 0.17,583 1,584 0.496,585 157.54,586 -0.053,587 -0.312,588 0.023,589 -0.082,590 0.005,591 -0.018,592 0.044,593 0.066,594 0.012,595 0.022,596 0.071,597 -0.018,598 -0.022,599 -0.049,600 0.007,601 -0.004,602 0.013,603 -0.003,604 -0.102,605 -0.064,606 -0.011,607 -0.049,608 -0.153,609 -0.08,610 -0.16,611 0.129,612 -0.054,613 0.111,614 -0.21,615 0.035,616 -0.022,617 -0.042,618 -0.046,619 -0.083,621 -0.096,622 0.14,623 -0.055,624 0.098,625 0.042,626 0.183,627 0.064,628 0.226,629 0.081,630 0.257,631 0.177,632 0.211,633 0.253,634 1.439,635 5.703,636 0.8,637 35.52,638 1.005,639 1.137,640 3.69,641 13.618,642 0.671,643 3.526,644 3.829,645 4.078,646 4.277,647 4.489,648 4.477,649 4.575,650 4.682,651 4.787,652 4.883,653 7.912,654 0.63,655 449.43,656 3.526,657 5.056,658 5.894,659 6.751,660 7.6,661 8.459,662 9.312,663 10.173,664 11.028,665 11.888,666 10.7,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 56,705 13,706 1,707 33,709 59,710 21,711 10,712 3,713 3,717 4,718 4,719 2,724 4,727 4,729 11,730 10,733 1,737 1,741 1,744 1,747 26,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,791 1,796 4,802 2,805 30,810 9,811 2,814 1,815 2,824 2,825 1.8,828 1,832 15,833 9.752,834 6.611,835 3.552,836 2.261,837 1.293,838 0.98,839 7.31,840 9.968,841 3.714,842 4.22,843 4.687,844 5.109,845 5.552,846 5.565,847 5.727,848 6.018,849 6.379,850 6.717,851 1,852 46,853 11.131,854 4.726,855 7.669,856 21.596,857 17.964,859 2.169,860 65.056,863 1,864 282.506,865 86.309,866 75.841,867 78.297,868 25.145,871 86.309,872 385.949,873 75.841,875 23.362,876 55.916,877 93.202,878 22.359,879 4.227,880 270.735,881 78.297,882 282.506,883 162.15,884 25.145,885 78.297,887 235.422,888 72.229,891 52.319,892 58.249,893 129.879,895 282.506,896 100.986,897 164.606,900 282.506,901 39.356,902 53.201,903 36.022,904 137.013,905 282.506,906 100.986,907 164.606,909 0.579,910 0.337,911 0.175,912 0.093,913 21,914 9,915 0.085,916 5,918 1,919 4.288,920 257.098,922 24,923 143.207,928 21.628,929 10.14,930 5.566,932 100.986,933 9.033,934 9.06,938 3.591,940 36.022,941 548.099,942 40,946 12.703,950 0.227,952 56.305,953 63.654,954 0.287,955 0.61,956 0.789,957 0.883,958 0.908,959 0.908,960 4.956,961 1.482,962 5.861,963 4.134,964 4.511,965 4.905,966 2.339,967 6.627,968 4.37,969 6.11,970 1.378,971 7.394,972 3.743,973 4.007,974 4.59,975 1.738,976 7.431,977 3.73,978 7.386,979 1.116,980 9.027,981 3.23,982 6.066,983 6.94,984 3.123,985 10.497,986 5.799,987 8.692,988 1,989 10.717,990 2.566,991 6.382,992 7.424,993 3.217,994 12.117,995 5.998,996 10.03,997 1,998 12.445,999 2.275,1000 7.888,1001 9.268,1002 4.294,1003 14.678,1004 7.5,1005 11.389,1006 0.749,1007 14.198,1008 2.136,1009 8.587,1010 10.122,1011 4.678,1012 16.635,1013 8.105,1014 12.764,1015 0.708,1016 15.969,1017 1.782,1018 9.854,1019 11.744,1020 5.58,1021 19.009,1022 9.35,1023 3,1025 17.753,1026 1.715,1027 10.742,1028 12.793,1029 6.104,1030 21.116,1031 10.162,1032 2.875,1033 9.692,1034 19.547,1036 11.901,1037 14.3,1038 6.909,1039 23.414,1040 11.287,1041 2.83,1042 9.147,1043 21.348,1044 3.881,1045 12.883,1046 15.461,1047 7.507,1048 25.591,1049 12.205,1050 2.402,1051 8.708,1052 23.155,1053 3.725,1054 13.992,1055 16.903,1056 8.258,1057 27.858,1058 13.276,1059 2.18,1060 6.89,1061 24.968,1062 3.27,1063 15.021,1064 18.132,1065 8.895,1066 30.069,1067 14.248,1068 2.095,1069 6.317,1070 26.784,1071 2.839,1072 16.11,1073 19.535,1074 9.617,1075 32.324,1076 15.295,1077 1.623,1078 5.8,1079 28.603,1080 2.748,1081 17.162,1082 20.806,1083 10.276,1084 34.553,1085 16.297,1086 12775,1087 21589,1088 22.364,1089 37.58,1090 49.243,1091 50.465,1092 50.057,1093 49.28,1094 48.873,1095 58.787,1096 8.885,1097 136.266,1098 45.279,1099 5.237,1100 5.836,1101 6.198,1102 5.03,1103 5,1104 6.881,1105 3.458,1106 16.454,1107 4.881,1108 12.861,1109 1.492,1110 1.529,1111 1.517,1112 1.493,1113 1.481,1114 1.781,1115 0.269,1116 4.129,1117 1.372,1118 3.98,1119 4.034,1120 4.096,1121 3.891,1122 7.427,1123 3.884,1124 3.901,1125 3.937,1126 3.879,1127 3.75,1128 5.033,1129 3.764,1130 3.83,1131 3.886,1132 3.758,1133 3.664,1134 4.976,1135 3.678,1136 3.685,1137 3.752,1138 3.601,1139 3.507,1140 4.629,1141 3.514,1142 3.32,1143 3.379,1144 3.562,1145 3.119,1146 4.367,1147 3.129,1148 3.241,1149 3.307,1150 3.245,1151 3.077,1152 4.272,1153 3.072,1154 3.111,1155 3.206,1156 3.168,1157 2.941,1158 4.197,1159 2.91,1160 3.055,1161 3.161,1162 2.898,1163 2.827,1164 4.016,1165 2.816,1166 0.128,1167 0.116,1168 0.194,1169 0.12,1170 0.091,1171 4.237,1172 0.118,1173 3.836,1174 0.06,1175 6.396,1176 0.294,1177 3.956,1178 0.087,1179 3,1180 3.881,1181 1.985,1182 9.692,1183 2.881,1184 1.906,1185 1.885,1186 2.051,1187 2.073,1188 1.391,1189 2.063,1190 1.855,1191 1.797,1192 1.983,1193 2.007,1194 1.268,1195 2.009,1196 1.784,1197 1.725,1198 1.951,1199 1.953,1200 1.154,1201 1.965,1202 1.645,1203 1.583,1204 1.789,1205 1.84,1206 0.835,1207 1.835,1208 1.258,1209 1.203,1210 1.513,1211 1.498,1212 0.825,1213 1.495,1214 1.209,1215 1.145,1216 1.511,1217 1.431,1218 0.806,1219 1.446,1220 1.153,1221 1.064,1222 1.451,1223 1.376,1224 0.609,1225 1.429,1226 1.052,1227 0.955,1228 1.377,1229 1.334,1230 0.583,1231 1.365,1232 4.205,1233 5.509,1235 7.013,1237 8.598,1239 10.222,1242 12.198,1247 7.538,1248 6.639,1251 -0.02,1252 4.086,1257 35.293,1258 93.252,1259 198.527,1260 256.483,1261 287.212,1262 295.212,1263 295.212,1264 53.102,1265 7.707,1266 73.39,1267 73.39,1268 24,1269 12.439,1270 3.807,1271 3,1272 47.344,1273 142,1274 136,1275 0.159,1276 223.572,1277 387.35,1278 537.276,1279 26538,1280 3.6,1281 20.924,1282 0.697,1283 0.61,1284 21.924,1285 18.293,1286 14.597,1287 0.442,1288 0.337,1289 10.296,1290 13.471,1291 10.073,1292 8.249,1293 15.175,1294 11.135,1295 12.958,1296 0.288,1297 0.189,1298 13.737,1299 8.49,1300 10.998,1301 0.19,1302 0.107,1303 11.614,1304 6.187,1305 8.817,1306 0.124,1307 0.061,1308 9.513,1309 4.335,1310 6.985,1311 0.079,1312 0.034,1313 7.344,1314 2.991,1315 0.257,1316 97.433,1317 0.211,1318 28.982,1319 0.414,1320 156,1321 439.388,1322 201.52,1323 483.881,1324 640.49,1325 452,1326 181,1327 422.376,1328 218.255,1329 443.825,1330 650.92,1331 419,1332 6}
{0 CHEMBL205195,1 1.53,2 7.833,3 2.82,4 7.953,5 75.722,6 8.238,7 0.8,8 3.545,9 3.665,10 3.27,11 3.217,12 4.666,13 3.153,14 3.998,15 4.142,16 3.619,17 3.573,18 5.066,19 3.488,20 4.184,21 4.391,22 3.519,23 3.603,24 5.179,25 3.49,26 4.155,27 4.362,28 3.465,29 3.546,30 5.127,31 3.401,32 4.052,33 4.277,34 3.334,35 3.441,36 4.982,37 3.268,38 3.882,39 4.111,40 3.217,41 3.292,42 4.813,43 3.127,44 3.697,45 3.905,46 2.915,47 3.122,48 4.636,49 2.963,50 3.584,51 3.813,52 2.461,53 2.865,54 4.516,55 2.694,56 0.036,57 0.466,58 6.042,59 2.679,60 6.949,61 3.299,62 0.096,63 0.745,64 11.759,65 4.56,66 10.339,67 5.743,68 0.117,69 0.857,70 14.639,71 5.768,72 16.876,73 7.377,74 0.111,75 0.848,76 16.105,77 5.852,78 14.893,79 7.164,80 0.132,81 0.764,82 16.411,83 5.876,84 15.393,85 6.885,86 0.098,87 0.637,88 13.753,89 4.905,90 13.129,91 5.757,92 0.064,93 0.516,94 11.423,95 4.205,96 9.207,97 4.962,98 0.043,99 0.436,100 8.137,101 3.31,102 9.41,103 4.38,104 3,105 27,106 0.285,107 0.609,108 0.725,109 0.819,110 0.877,111 0.901,112 2.961,113 0.996,114 -3.78,115 -3.75,116 -3.56,119 45.2,125 1,138 7,139 2,140 1,142 1,147 1,155 1,156 1,157 1,158 1,163 9,166 1,169 1,171 3,172 11,178 1,179 1,181 3,183 9,187 2,192 4,194 7,196 1,198 3,202 1,203 1,204 1,205 5,209 3,217 3,221 1,226 2,227 1,229 2,236 3,240 3,247 3,251 3,252 358,253 12.593,254 12.593,255 12.593,256 12.593,257 12.593,258 10.713,259 14.706,260 7.547,261 12.918,262 9.842,263 9.842,264 9.842,265 9.842,266 9.842,267 7.034,268 26.64,269 3.517,270 10.411,271 3.425,272 1.691,273 1.07,274 0.565,275 0.258,276 0.129,277 3.644,281 1,282 1,283 1,284 307,285 2.121,287 42.882,288 80.738,292 69.237,295 1.093,296 8.675,299 1,300 1,301 1,302 0.6,304 1,305 1,306 0.8,307 37.5,308 141,309 4.501,310 3.118,311 6.515,312 4.033,313 3.049,314 4.433,315 0.522,316 10.243,317 3.008,318 4.106,319 2.854,320 5.661,321 3.61,322 2.711,323 3.73,324 0.4,325 7.893,326 2.436,327 3.52,328 2.356,329 5.219,330 3.12,331 2.155,332 2.909,334 6.381,335 2.078,336 3.133,337 1.926,338 4.779,339 2.705,340 1.785,341 2.427,343 5.184,344 1.618,345 3.118,346 1.618,347 4.134,348 2.618,349 1.618,350 2.326,352 3.757,353 1.613,354 2.767,355 1.274,356 3.592,357 2.268,358 1.27,359 1.899,361 2.826,362 1.267,363 2.357,364 1.014,365 3.346,366 1.885,367 0.922,368 1.296,370 2.126,371 0.882,372 2.212,373 0.811,374 3.269,375 1.583,376 0.747,377 1.079,379 1.74,380 0.61,381 1.511,382 0.549,383 2.846,384 1.236,385 0.344,386 0.394,388 0.527,389 0.306,390 1.282,391 0.074,392 2.499,393 0.892,394 -0.053,395 -0.069,397 -0.131,398 -0.05,399 0.882,400 -0.57,401 2.31,402 0.382,403 -0.618,404 -0.907,406 -1.478,407 -0.618,408 0.728,409 -0.618,410 2,411 0.297,412 -0.668,413 -0.927,415 -1.717,416 -0.643,417 0.399,418 -0.87,419 1.912,420 -0.059,421 -1.035,422 -1.371,424 -2.502,425 -0.985,426 0.054,427 -1.031,428 1.466,429 -0.355,430 -1.249,431 -1.545,433 -3.098,434 -1.068,435 -0.063,436 -1.426,437 1.225,438 -0.551,439 -1.509,440 -2.04,442 -4.253,443 -1.423,444 9.033,445 0.502,446 0.307,447 0.017,448 25.75,449 1.431,450 14.5,451 0.806,452 11.25,453 0.625,454 11.145,455 0.619,456 17.967,457 0.58,458 14.766,459 0.82,460 5.037,461 0.28,462 3.828,463 0.213,464 0.044,466 0.277,472 1.147,473 0.944,474 0.747,475 0.726,476 1.266,477 0.748,478 0.75,479 1.13,480 0.9,481 1.056,482 0.899,483 0.959,484 0.979,485 0.972,486 0.846,487 0.883,488 0.728,489 0.938,490 1.161,491 1.178,492 1.135,493 1.149,494 0.991,495 1.11,496 1.108,497 0.93,498 1.285,499 1.109,500 0.726,501 1.01,502 1.219,503 0.854,504 1.184,505 0.966,506 0.955,507 0.876,508 0.989,509 1.032,510 1.366,511 1.248,512 0.907,513 1.101,514 0.868,515 1.224,516 1.039,517 1.221,518 1.247,519 1.357,520 3,521 0.012,522 1.556,523 1.132,524 0.681,525 0.288,526 0.192,527 0.153,528 0.07,529 0.041,530 2859,531 7419,532 2.154,533 41.9,535 9,536 1,538 3,542 1.586,543 2.077,544 2.978,545 1.142,547 1,548 1,550 47.417,551 1.53,552 3.264,553 3.884,554 4.389,555 4.696,556 4.825,557 2.414,558 3.795,559 4.143,560 3.059,561 468.06,562 7.03,563 4358.39,564 1,565 1,567 1,568 153.58,569 1.135,570 4.128,571 0.15,572 0.012,573 0.058,574 0.045,575 0.032,576 0.016,577 0.012,578 0.012,579 0.009,580 0.01,581 0.356,582 0.83,583 1,584 0.695,585 75.856,586 -0.166,587 0.114,588 0.046,589 0.138,590 -0.283,591 0.098,592 0.181,593 -0.107,594 0.015,595 -0.117,596 -0.06,597 -0.065,598 0.02,599 0.006,600 -0.004,601 0.002,602 0.087,603 -0.01,604 -0.109,605 -0.176,606 -0.108,607 -0.156,608 -0.111,609 -0.164,610 -0.045,611 0.084,612 -0.091,613 -0.006,614 0.035,615 -0.02,616 -0.164,617 0.158,618 0.013,619 0.142,620 -0.038,621 0.122,622 -0.145,623 -0.063,624 -0.228,625 -0.157,626 -0.012,627 -0.103,628 -0.099,629 -0.342,630 -0.269,631 -0.363,632 -0.11,633 -0.392,634 1.02,635 1.563,636 0.833,637 10.556,638 0.994,639 1.113,640 2.554,641 6.523,642 0.725,643 3.045,644 3.332,645 3.611,646 3.871,647 4.025,648 4.007,649 4.094,650 4.19,651 4.22,652 4.025,653 4.636,654 0.674,655 255.37,656 3.045,657 4.554,658 5.398,659 6.263,660 7.124,661 7.995,662 8.86,663 9.733,664 10.6,665 11.473,666 9.7,667 1,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 31,705 16,706 2,707 20,709 33,710 14,711 13,712 3,713 7,717 3,718 4,721 1,729 13,730 1,744 1,747 13,748 3,749 3,750 4,751 1,755 3,760 0.667,775 1,776 2,780 1,790 1,796 2,799 1,805 18,806 1,810 1,811 1,819 1,832 8.667,833 5.367,834 4.056,835 1.711,836 3.164,837 1.486,838 1.048,839 3.152,840 9.672,841 3.367,842 4.003,843 4.638,844 5.256,845 5.729,846 5.97,847 6.381,848 6.802,849 7.182,850 7.137,851 1,852 25,853 6.601,854 2.753,855 7.565,856 12.795,857 10.448,859 2.065,860 37.167,861 0.002,864 117.711,865 118.526,866 67.693,870 31.278,871 87.249,872 117.711,873 67.693,875 35.003,876 73.983,877 16.786,878 29.171,879 11.771,880 137.218,882 117.711,883 154.942,885 31.278,887 117.711,891 56.271,892 81.885,893 16.786,894 31.278,895 117.711,896 67.693,897 118.526,900 117.711,901 44.544,902 73.983,903 18.011,904 49.683,905 117.711,906 67.693,907 118.526,909 0.567,910 0.34,911 0.191,912 0.098,913 14,914 5,915 0.091,916 3,917 1,918 1.133,919 3.132,920 129.441,921 0.133,922 15,923 71.059,924 1,928 11.478,929 4.943,930 2.344,931 2.419,932 67.693,933 16.487,934 4.413,937 1.575,938 2.876,940 50.908,941 303.931,942 28,952 30.8,953 34.491,954 0.309,955 0.659,956 0.784,957 0.886,958 0.948,959 0.974,960 4.554,961 0.747,962 5.352,963 2.126,964 4.007,965 4.687,966 0.623,967 6.129,968 3.907,969 5.759,970 0.344,971 6.88,972 1.74,973 3.434,974 4.407,976 6.952,977 3.303,978 7.059,979 -0.053,980 8.51,981 0.527,982 5.557,983 6.957,984 0.182,985 10.051,986 5.377,987 8.401,988 -0.618,989 10.201,990 -0.131,991 5.861,992 7.584,994 11.746,995 5.649,996 9.778,997 -0.668,998 11.934,999 -1.478,1000 7.391,1001 9.524,1002 0.047,1003 14.334,1004 7.154,1005 11.179,1006 -1.035,1007 13.695,1008 -1.717,1009 8.112,1010 10.591,1012 16.389,1013 7.854,1014 12.599,1015 -1.249,1016 15.478,1017 -2.502,1018 9.391,1019 12.269,1020 0.012,1021 18.805,1022 9.118,1023 3.049,1024 -1.509,1025 17.277,1026 -3.098,1027 10.312,1028 13.551,1030 21.012,1031 10.027,1032 2.711,1033 10.243,1034 19.088,1035 -4.253,1036 11.484,1037 15.114,1038 0.003,1039 23.368,1040 11.189,1041 2.155,1042 7.893,1043 20.91,1044 4.433,1045 12.5,1046 16.5,1048 25.64,1049 12.198,1050 1.785,1051 6.381,1052 22.74,1053 3.73,1054 13.627,1055 18.015,1056 0.001,1057 27.975,1058 13.319,1059 1.618,1060 5.184,1061 24.577,1062 2.909,1063 14.688,1064 19.451,1066 30.275,1067 14.374,1068 1.27,1069 3.757,1070 26.42,1071 2.427,1072 15.798,1073 20.945,1075 32.603,1076 15.479,1077 0.922,1078 2.826,1079 28.267,1080 2.326,1081 16.881,1082 22.405,1084 34.917,1085 16.557,1086 2778,1087 4566,1088 13.811,1089 22.472,1090 29.25,1091 29.346,1092 30.122,1093 29.105,1094 29.204,1095 40.987,1096 1.843,1097 81.355,1098 27.635,1099 5.275,1100 5.118,1101 6.204,1102 5.138,1103 5.049,1104 7.433,1105 1.043,1106 17.083,1107 5.008,1108 5.3,1109 1.463,1110 1.467,1111 1.506,1112 1.455,1113 1.46,1114 2.049,1115 0.092,1116 4.068,1117 1.382,1118 4.09,1119 4.113,1120 4.227,1121 4.047,1122 5.059,1123 4.041,1124 3.833,1125 3.863,1126 4.012,1127 3.812,1128 4.915,1129 3.742,1130 3.47,1131 3.519,1132 3.369,1133 3.385,1134 4.721,1135 3.374,1136 3.245,1137 3.339,1138 3.187,1139 3.051,1140 4.337,1141 3.041,1142 3.05,1143 3.114,1144 2.995,1145 2.933,1146 3.945,1147 2.898,1148 2.704,1149 2.799,1150 2.568,1151 2.577,1152 3.572,1153 2.562,1154 2.654,1155 2.717,1156 2.526,1157 2.472,1158 3.406,1159 2.467,1160 2.343,1161 2.447,1162 2.366,1163 2.153,1164 3.285,1165 2.143,1166 0.225,1167 0.156,1168 0.326,1169 0.202,1170 0.152,1171 4.501,1172 0.222,1173 3.118,1174 0.026,1175 6.515,1176 0.512,1177 4.033,1178 0.15,1179 3.049,1180 4.433,1181 0.522,1182 10.243,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.553,1191 1.502,1192 1.736,1193 1.767,1194 0.87,1195 1.766,1196 1.499,1197 1.46,1198 1.667,1199 1.622,1200 0.708,1201 1.643,1202 1.286,1203 1.266,1204 1.337,1205 1.422,1206 0.483,1207 1.442,1208 1.017,1209 0.981,1210 1.155,1211 1.188,1212 0.319,1213 1.223,1214 0.866,1215 0.758,1216 1.108,1217 1.101,1218 0.096,1219 1.136,1220 0.689,1221 0.638,1222 0.948,1223 0.839,1224 0.057,1225 0.879,1226 0.534,1227 0.454,1228 0.811,1229 0.761,1231 0.811,1232 3.714,1233 5.004,1234 2.398,1235 6.5,1236 4.595,1237 8.09,1238 6.555,1239 9.73,1245 5.563,1247 0.48,1248 3.353,1257 20.885,1258 47.417,1259 101.174,1260 120.419,1261 136.07,1262 145.58,1263 149.58,1264 17.621,1265 6.507,1266 50.94,1267 79.18,1268 17,1269 12.015,1270 4.087,1271 3.17,1272 25.737,1273 49,1274 54,1275 0.261,1276 133.905,1277 214.01,1278 318.488,1279 5132,1281 12.372,1282 0.687,1283 0.588,1284 12.726,1285 10.575,1286 8.865,1287 0.443,1288 0.332,1289 5.791,1290 8.247,1291 5.581,1292 4.647,1293 9.319,1294 6.639,1295 7.588,1296 0.281,1297 0.18,1298 8.166,1299 4.858,1300 6.586,1301 0.183,1302 0.1,1303 7.245,1304 3.599,1305 5.556,1306 0.118,1307 0.056,1308 6.295,1309 2.643,1310 4.314,1311 0.078,1312 0.03,1313 4.853,1314 1.664,1315 0.397,1316 58.898,1317 0.269,1318 17.962,1319 0.745,1320 94,1321 232.151,1322 122.252,1323 256.477,1324 361.01,1325 242,1326 110,1327 258.893,1328 133.508,1329 280.74,1330 410.06,1331 265,1332 4.602}
{0 CHEMBL205279,1 1.453,2 8.05,3 4.706,4 22.143,5 85.447,6 7.319,7 0.682,8 3.745,9 3.875,10 3.371,11 3.359,12 4.757,13 3.282,14 4.275,15 4.468,16 3.782,17 3.756,18 5.199,19 3.672,20 4.457,21 4.647,22 3.688,23 3.865,24 5.403,25 3.735,26 4.673,27 4.956,28 3.701,29 3.891,30 5.48,31 3.693,32 4.408,33 4.658,34 3.453,35 3.692,36 5.19,37 3.453,38 4.055,39 4.289,40 3.34,41 3.403,42 4.963,43 3.259,44 4.022,45 4.271,46 3.118,47 3.374,48 4.801,49 3.213,50 3.945,51 4.14,52 2.928,53 3.36,54 4.797,55 3.189,56 0.041,57 0.587,58 9.102,59 3.764,60 8.415,61 5.052,62 0.156,63 0.974,64 18.164,65 6.226,66 14.756,67 8.6,68 0.111,69 1.126,70 19.666,71 7.66,72 19.448,73 10.524,74 0.24,75 1.301,76 28.261,77 9.874,78 29.682,79 13.304,80 0.162,81 1.051,82 29.206,83 9.519,84 18.704,85 10.98,86 0.196,87 0.774,88 16.676,89 4.824,90 16.708,91 6.303,92 0.078,93 0.67,94 14.71,95 5.674,96 11.403,97 7.494,98 0.07,99 0.641,100 13.121,101 5.223,102 11.219,103 6.854,104 18,105 33,106 0.259,107 0.617,108 0.724,109 0.761,110 0.77,111 0.77,112 3.058,113 1.036,114 -4.37,115 -4.3,116 -4.06,119 41,120 3,123 1,124 1,138 4,139 1,140 1,142 1,147 2,148 1,155 1,163 6,166 5,169 1,171 3,172 6,176 4,181 2,183 4,187 3,190 1,192 2,194 6,198 2,203 3,205 2,208 1,209 2,217 3,227 8,231 1,238 7,242 3,249 3,252 438,253 12.988,254 12.988,255 12.988,256 12.988,257 12.988,258 11.231,259 18.713,260 7.358,261 13.403,262 10.856,263 10.856,264 10.856,265 10.856,266 10.856,267 8.207,268 27.8,269 3.481,270 11.552,271 3.832,272 1.828,273 1.232,274 1.027,275 0.975,276 0.975,277 3.729,282 1,283 1,284 344,285 3.162,287 91.415,288 50.604,291 76.196,295 1.16,296 8.056,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 41.5,308 161,309 4.604,310 3.55,311 7.118,312 4.312,313 3.328,314 4.567,315 0.4,316 11.7,317 3.278,318 4.466,319 3.198,320 6.685,321 4.114,322 3.144,323 3.913,325 10.773,326 3.051,327 3.847,328 2.692,329 5.705,330 3.438,331 2.549,332 3.193,334 7.744,335 2.278,336 3.586,337 2.27,338 5.319,339 3.111,340 2.197,341 2.928,343 6.666,344 1.976,345 3.049,346 1.572,347 4.499,348 2.547,349 1.552,350 2.323,352 4.27,353 1.544,354 2.779,355 1.526,356 4.275,357 2.383,358 1.442,359 1.869,361 3.703,362 1.348,363 2.646,364 1.303,365 4.093,366 2.189,367 1.236,368 1.7,370 3.543,371 1.169,372 2.278,373 0.882,374 3.357,375 1.808,376 0.839,377 1.187,379 1.979,380 0.809,381 2.164,382 0.696,383 3.274,384 1.477,385 0.683,386 1.005,388 1.665,389 0.533,390 1.256,391 0.094,392 2.868,393 0.886,394 -0.056,395 -0.07,397 -0.147,398 -0.052,399 0.759,400 -0.444,401 2.538,402 0.368,403 -0.59,404 -0.751,406 -1.419,407 -0.562,408 0.571,409 -0.694,410 2.313,411 0.145,412 -0.81,413 -1,415 -2.213,416 -0.771,417 0.162,418 -1,419 2,421 -1,422 -1,424 -3,425 -1,426 0.059,427 -1,428 2,430 -1,431 -1.073,433 -3,434 -1,436 -1.025,437 2,438 -0.276,439 -1.227,440 -1.545,442 -3.284,443 -1.051,444 10.033,445 0.502,446 0.723,447 0.036,448 25.25,449 1.263,450 12.5,451 0.625,452 12.75,453 0.638,454 17.394,455 0.87,456 21.167,457 0.543,458 14.828,459 0.741,460 4.472,461 0.224,462 4.977,463 0.249,464 0.199,465 0.05,466 0.289,472 0.997,473 1.276,474 0.794,475 0.95,476 1.16,477 0.953,478 0.92,479 1.003,480 0.759,481 0.837,482 0.56,483 0.736,484 1.13,485 1.373,486 1.008,487 1.17,488 1.12,489 1.248,490 1.169,491 0.8,492 0.841,493 0.76,494 1.312,495 0.849,496 1.211,497 1.256,498 1.866,499 1.575,500 0.865,501 1.145,502 1.998,503 0.798,504 1.304,505 0.917,506 1.62,507 0.871,508 0.675,509 0.861,510 0.917,511 0.921,512 0.697,513 0.866,514 0.967,515 1.168,516 1.395,517 1.392,518 1.264,519 1.384,520 5.5,522 2.889,523 1.632,524 1.108,525 0.372,526 0.425,527 0.297,528 0.239,529 0.181,530 3670,531 7871,532 2.036,533 48.7,534 9,535 7,536 2,538 1,542 1.616,543 1.86,544 3.001,545 -0.32,550 56.665,551 1.453,552 3.458,553 4.054,554 4.259,555 4.31,556 4.31,557 2.441,558 3.622,559 4.298,560 3.159,561 600.189,562 7.333,563 6078.67,565 1,568 206.131,569 1.72,570 4.22,571 0.25,573 0.088,574 0.056,575 0.044,576 0.02,577 0.024,578 0.017,579 0.017,580 0.018,581 0.534,582 0.83,583 1,584 0.897,585 88.024,586 0.023,587 -0.145,588 0.084,589 0.01,590 -0.204,591 0.014,592 0.238,593 0.083,594 0.215,595 0.142,596 0.368,597 0.228,598 -0.11,599 -0.329,600 -0.181,601 -0.27,602 -0.1,603 -0.3,604 -0.02,605 0.169,606 0.129,607 0.181,608 -0.121,609 0.104,610 -0.101,611 -0.197,612 -0.251,613 -0.222,614 0.092,615 -0.107,616 -0.264,617 0.362,618 -0.086,619 0.125,620 -0.299,621 0.049,622 0.032,623 0.079,624 0.053,625 0.088,626 0.16,627 0.143,628 -0.279,629 -0.166,630 -0.444,631 -0.374,632 -0.364,633 -0.384,634 1.158,635 1.691,636 0.7,637 12.59,638 0.986,639 1.121,640 3.139,641 9.855,642 0.686,643 3.135,644 3.526,645 3.761,646 4.007,647 4.127,648 4.19,649 4.248,650 4.382,651 4.357,652 4.369,653 5.014,654 0.627,655 285.45,656 3.135,657 4.71,658 5.565,659 6.469,660 7.344,661 8.246,662 9.127,663 10.027,664 10.912,665 11.81,666 7.7,674 2,676 1,680 2,681 6,682 1,685 1,686 3,687 1,688 15,697 1,703 39,705 15,706 1,707 22,709 41,710 16,711 11,712 3,713 3,717 3,718 4,721 3,722 1,729 11,730 5,747 19,748 2,749 1,750 4,751 1,755 3,760 0.667,772 1,775 2,776 1,779 1,796 2,799 1,801 4,805 20,811 1,816 1,819 1,832 10.75,833 8.317,834 4.167,835 2.243,836 2.935,837 1.437,838 0.98,839 3.327,840 9.65,841 3.418,842 4.103,843 4.725,844 5.343,845 5.732,846 6.058,847 6.424,848 6.858,849 6.984,850 7.278,851 1,852 29,853 7.37,854 3.068,855 7.446,856 14.494,857 11.997,859 1.946,860 38.917,861 0.001,864 211.88,865 131.483,866 36.695,870 31.278,871 100.205,872 211.88,873 36.695,874 34.872,876 54.601,877 16.786,878 28.497,879 25.686,880 219.615,882 211.88,883 136.9,885 31.278,887 211.88,891 49.643,892 70.472,893 16.786,894 31.278,895 211.88,896 36.695,897 131.483,900 211.88,901 42.009,902 91.373,903 18.011,904 16.786,905 211.88,906 36.695,907 131.483,909 0.606,910 0.342,911 0.173,912 0.087,913 18,914 8,915 0.073,916 3,917 1,918 1.143,919 3.184,920 153.225,921 0.143,922 14,923 77.684,924 1,928 13.624,929 4.884,930 2.625,931 2.449,932 34.796,933 12.647,934 4.691,937 1.658,938 3.189,939 2.128,940 18.011,941 380.058,942 29.5,952 38.451,953 43.737,954 0.275,955 0.654,956 0.767,957 0.806,958 0.815,959 0.815,960 4.68,961 0.839,962 5.624,963 3.543,964 4.205,965 4.787,966 0.278,967 6.509,968 4.098,969 5.947,970 0.683,971 7.244,972 1.979,973 4.111,974 4.783,976 7.758,977 4.007,978 7.3,979 -0.056,980 8.975,981 1.665,982 5.938,983 7.099,984 0.05,985 10.761,986 5.768,987 8.691,988 -0.59,989 10.772,990 -0.147,991 6.621,992 7.915,994 12.777,995 6.463,996 10.114,997 -0.81,998 12.61,999 -1.419,1000 8.009,1001 9.73,1002 0.008,1003 15.382,1004 7.81,1005 11.557,1006 -1,1007 14.475,1008 -2.213,1009 8.994,1010 10.917,1012 17.662,1013 8.801,1014 13.017,1015 -1,1016 16.36,1017 -3,1018 10.238,1019 12.537,1020 0.001,1021 20.152,1022 10.021,1023 3.328,1024 -1.227,1025 18.259,1026 -3,1027 11.341,1028 13.897,1030 22.529,1031 11.121,1032 3.144,1033 11.7,1034 20.168,1035 -3.284,1036 12.54,1037 15.442,1039 24.983,1040 12.302,1041 2.549,1042 10.773,1043 22.085,1044 4.567,1045 13.689,1046 16.881,1048 27.397,1049 13.443,1050 2.197,1051 7.744,1052 24.009,1053 3.913,1054 14.875,1055 18.399,1057 29.84,1058 14.613,1059 1.552,1060 6.666,1061 25.937,1062 3.193,1063 16.044,1064 19.876,1066 32.27,1067 15.771,1068 1.442,1069 4.27,1070 27.869,1071 2.928,1072 17.227,1073 21.386,1075 34.712,1076 16.94,1077 1.236,1078 3.703,1079 29.805,1080 2.323,1081 18.406,1082 22.88,1084 37.149,1085 18.104,1086 3629,1087 5441,1088 14.216,1089 26.756,1090 34.703,1091 33.86,1092 34.648,1093 33.821,1094 33.943,1095 45.372,1096 0.8,1097 104.085,1098 31.973,1099 5.382,1100 5.55,1101 6.638,1102 5.429,1103 5.328,1104 7.567,1105 0.8,1106 18.821,1107 5.278,1108 10.865,1109 1.577,1110 1.539,1111 1.575,1112 1.537,1113 1.543,1114 2.062,1115 0.036,1116 4.731,1117 1.453,1118 4.136,1119 4.172,1120 4.237,1121 4.048,1122 4.968,1123 4.053,1124 3.898,1125 3.931,1126 4.065,1127 3.862,1128 4.81,1129 3.811,1130 3.536,1131 3.599,1132 3.504,1133 3.438,1134 4.322,1135 3.389,1136 3.422,1137 3.477,1138 3.355,1139 3.307,1140 4.197,1141 3.292,1142 3.09,1143 3.165,1144 2.97,1145 2.943,1146 3.894,1147 2.935,1148 2.896,1149 3.009,1150 2.689,1151 2.69,1152 3.659,1153 2.672,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.874,1161 2.993,1162 2.499,1163 2.618,1164 3.467,1165 2.57,1166 0.209,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.604,1172 0.208,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.312,1178 0.149,1179 3.328,1180 4.567,1181 0.4,1182 11.7,1183 3.278,1184 1.94,1185 1.915,1186 2.021,1187 2.035,1188 1.208,1189 2.033,1190 1.777,1191 1.73,1192 1.987,1193 1.915,1194 1.173,1195 1.943,1196 1.574,1197 1.509,1198 1.768,1199 1.789,1200 0.839,1201 1.789,1202 1.274,1203 1.273,1204 1.426,1205 1.42,1206 0.517,1207 1.424,1208 1.138,1209 1.074,1210 1.417,1211 1.311,1212 0.48,1213 1.353,1214 1.111,1215 1.044,1216 1.417,1217 1.253,1218 0.469,1219 1.309,1220 0.934,1221 0.804,1222 1.284,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.226,1229 1.239,1230 0.296,1231 1.308,1232 3.807,1233 5.176,1234 3.045,1235 6.715,1236 5.352,1237 8.332,1238 7.413,1239 9.989,1241 8.616,1248 3.447,1253 0.092,1257 24.466,1258 56.665,1259 134.846,1260 158.092,1261 166.092,1262 168.092,1263 168.092,1264 23.414,1265 6.715,1266 29.85,1267 58.09,1268 16,1269 12.335,1270 4,1271 3.087,1272 30.029,1273 61,1274 46,1275 0.251,1276 156.017,1277 251.25,1278 372.442,1279 6483,1281 14.328,1282 0.716,1283 0.654,1284 14.682,1285 13.083,1286 9.449,1287 0.429,1288 0.345,1289 6.735,1290 8.77,1291 6.274,1292 5.332,1293 9.903,1294 7.6,1295 9.551,1296 0.289,1297 0.21,1298 10.128,1299 6.936,1300 7.356,1301 0.175,1302 0.1,1303 7.984,1304 4.2,1305 6.016,1306 0.111,1307 0.058,1308 6.835,1309 3.152,1310 4.46,1311 0.073,1312 0.032,1313 5.095,1314 1.976,1315 0.387,1316 62.708,1317 0.265,1318 19.69,1319 0.709,1320 110,1321 248.483,1322 139.64,1323 272.525,1324 386.25,1325 256,1326 130,1327 285.287,1328 155.812,1329 310.941,1330 452.68,1331 289,1332 7.432}
{0 CHEMBL205490,1 1.332,2 11.038,3 6.633,4 43.997,5 111.051,6 7.47,7 0.759,8 3.945,9 4.059,10 3.58,11 3.638,12 4.987,13 3.559,14 4.449,15 4.609,16 3.972,17 4.034,18 5.422,19 3.941,20 4.695,21 4.88,22 3.937,23 4.167,24 5.638,25 4.037,26 4.858,27 5.116,28 3.906,29 4.162,30 5.703,31 3.984,32 4.727,33 4.984,34 3.807,35 4.035,36 5.552,37 3.831,38 4.467,39 4.726,40 3.649,41 3.807,42 5.269,43 3.62,44 4.15,45 4.33,46 3.536,47 3.667,48 5.12,49 3.543,50 4.249,51 4.445,52 3.5,53 3.722,54 5.188,55 3.565,56 0.047,57 0.619,58 10.222,59 4.548,60 9.702,61 6.099,62 0.135,63 1.059,64 19.603,65 7.876,66 16.143,67 10.648,68 0.12,69 1.325,70 23.689,71 10.089,72 22.602,73 13.702,74 0.174,75 1.575,76 31.328,77 12.703,78 32.601,79 17.142,80 0.174,81 1.424,82 31.244,83 11.924,84 28.595,85 15.143,86 0.146,87 1.116,88 25.877,89 9.512,90 20.082,91 11.697,92 0.1,93 0.81,94 16.476,95 6.156,96 14.344,97 7.643,98 0.119,99 0.884,100 16.939,101 6.483,102 18.413,103 8.375,104 11,105 42,106 0.224,107 0.531,108 0.641,109 0.746,110 0.78,111 0.794,112 3.304,113 1.003,114 -6.76,115 -6.58,116 -6.09,119 47.9,120 3,123 1,138 11,139 4,140 1,142 1,147 1,155 1,163 19,166 2,169 1,171 3,172 25,176 2,181 3,183 21,187 4,192 4,194 16,198 4,203 3,205 10,209 4,214 2,217 6,221 4,226 1,227 9,236 1,238 16,247 3,249 15,252 950,253 17.419,254 17.419,255 17.419,256 17.419,257 17.419,258 14.916,259 15.55,260 10.121,261 17.729,262 14.344,263 14.344,264 14.344,265 14.344,266 14.344,267 10.62,268 23.382,269 4.804,270 14.879,271 4.253,272 2.424,273 1.768,274 1.142,275 0.943,276 0.86,277 4.001,283 1,284 628,285 3.24,287 68.985,288 220.085,292 116.694,295 1.811,296 10.003,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 53,308 287,309 4.504,310 3.538,311 7.111,312 4.315,313 3.315,314 4.434,315 0.4,316 11.659,317 3.315,318 4.454,319 3.119,320 6.515,321 4.035,322 3.054,323 4.007,325 10.245,326 3.008,327 4.246,328 2.903,329 6.18,330 3.846,331 2.889,332 3.694,334 9.217,335 2.774,336 3.736,337 2.479,338 5.434,339 3.3,340 2.382,341 3.121,343 7.131,344 2.178,345 3.446,346 2.054,347 5.052,348 2.978,349 2.01,350 2.843,352 5.878,353 1.931,354 3.118,355 1.747,356 4.677,357 2.689,358 1.721,359 2.427,361 4.977,362 1.646,363 3.073,364 1.618,365 4.216,366 2.618,367 1.618,368 2.238,370 3.803,371 1.618,372 2.769,373 1.287,374 4.089,375 2.273,376 1.276,377 1.902,379 3.441,380 1.272,381 2.614,382 1.231,383 3.591,384 2.156,385 1.193,386 1.658,388 2.819,389 1.141,390 2.5,391 1,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 2.329,400 0.909,401 3.335,402 1.849,403 0.871,404 1.253,406 2.07,407 0.848,408 2.173,409 0.689,410 3.266,411 1.484,412 0.684,413 1.015,415 1.669,416 0.537,417 1.314,418 0.088,419 2.86,420 0.924,421 -0.028,422 -0.036,424 -0.073,425 -0.026,426 0.926,427 -0.351,428 2.727,429 0.537,430 -0.447,431 -0.582,433 -1.118,434 -0.437,435 0.882,436 -0.612,437 2.334,438 0.382,439 -0.618,440 -0.927,442 -1.478,443 -0.618,444 13.133,445 0.505,446 0.754,447 0.029,448 36,449 1.385,450 20.5,451 0.788,452 15.5,453 0.596,454 21.456,455 0.825,456 25.867,457 0.539,458 23.314,459 0.897,460 6.592,461 0.254,462 5.913,463 0.227,464 0.114,465 0.038,466 0.266,472 0.931,473 0.989,474 0.781,475 0.841,476 1.114,477 0.858,478 0.606,479 1.007,480 0.807,481 0.929,482 0.622,483 0.849,484 1.066,485 1.216,486 0.973,487 1.087,488 1.025,489 1.144,490 1.021,491 0.985,492 0.817,493 0.872,494 0.994,495 0.932,496 1.249,497 1.027,498 1.143,499 1.036,500 1.146,501 0.968,502 1.318,503 0.906,504 1.202,505 0.973,506 0.871,507 0.792,508 1.65,509 1.084,510 1.316,511 1.108,512 1.101,513 0.967,514 1.881,515 0.933,516 1.247,517 1.022,518 1.827,519 1.09,520 6,521 0.119,522 3.333,523 1.66,524 1.068,525 0.761,526 0.441,527 0.343,528 0.254,529 0.097,530 8688,531 18097,532 2.115,533 45.8,534 9,535 11,536 1,538 1,542 1.686,543 1.987,544 3.409,545 -0.446,550 63.929,551 1.332,552 3.161,553 3.817,554 4.443,555 4.642,556 4.725,557 2.902,558 4.21,559 4.674,560 3.627,561 1178.7,562 8.069,563 14951.9,568 268.078,569 1.508,570 4.629,571 0.207,572 0.007,573 0.079,574 0.041,575 0.031,576 0.026,577 0.017,578 0.013,579 0.011,580 0.005,581 0.438,582 0.5,583 0.88,584 0.721,585 128.47,586 0.016,587 0.016,588 0.071,589 0.062,590 -0.193,591 0.051,592 0.376,593 -0.005,594 0.138,595 0.025,596 0.282,597 0.091,598 -0.067,599 -0.234,600 -0.14,601 -0.197,602 -0.073,603 -0.213,604 0.051,605 -0.005,606 0.11,607 0.073,608 0.057,609 0.045,610 -0.015,611 0.002,612 0.046,613 0.044,614 -0.054,615 0.029,616 0.032,617 0.155,618 0.133,619 0.182,620 0.186,621 0.219,622 -0.184,623 0.007,624 -0.128,625 -0.051,626 0.056,627 -0.026,628 -0.457,629 0.137,630 -0.196,631 -0.038,632 -0.541,633 -0.159,634 1.082,635 1.782,636 0.808,637 23.657,638 0.982,639 1.106,640 5.533,641 30.619,642 0.714,643 3.401,644 3.761,645 4.007,646 4.248,647 4.443,648 4.533,649 4.673,650 4.727,651 4.875,652 4.883,653 6.681,654 0.656,655 358.54,656 3.401,657 4.963,658 5.814,659 6.703,660 7.569,661 8.458,662 9.328,663 10.216,664 11.089,665 11.976,666 4.2,674 1,676 1,680 2,681 12,682 1,685 1,686 5,688 22,697 1,703 48,705 22,706 3,707 29,709 51,710 23,711 19,712 5,713 11,717 4,718 5,721 3,722 1,729 19,730 4,747 22,748 2,749 1,750 3,751 1,755 2,760 0.75,775 1,776 3,780 1,796 3,799 1,801 3,805 26,811 1,816 1,819 1,832 13.083,833 9.617,834 5.5,835 2.85,836 4.336,837 1.569,838 1.008,839 4.437,840 11.952,841 3.714,842 4.373,843 4.995,844 5.604,845 6.129,846 6.438,847 6.878,848 7.254,849 7.691,850 7.855,851 1,852 40,853 9.582,854 4.032,855 7.433,856 18.872,857 15.788,859 1.933,860 50.25,864 247.193,865 187.172,866 34.796,870 31.278,871 155.895,872 247.193,873 34.796,874 26.476,876 111.888,877 16.786,878 35.542,879 11.771,880 266.7,882 247.193,883 190.691,885 31.278,887 247.193,891 47.744,892 126.162,893 16.786,894 31.278,895 247.193,896 34.796,897 187.172,900 247.193,901 48.809,902 138.363,903 18.011,904 16.786,905 247.193,906 34.796,907 187.172,909 0.594,910 0.337,911 0.175,912 0.09,913 22,914 9,915 0.078,916 4,917 1,918 1.095,919 3.853,920 220.25,921 0.095,922 21,923 111.457,924 1,928 17.083,929 6.753,930 3.628,931 2.438,932 34.796,933 25.54,934 4.782,937 1.635,938 5.507,940 18.011,941 469.162,942 40,952 47.116,953 53.069,954 0.238,955 0.566,956 0.683,957 0.796,958 0.831,959 0.846,960 4.952,961 1.276,962 5.838,963 3.803,964 4.443,965 5.059,966 0.278,967 6.686,968 4.382,969 6.195,970 1.193,971 7.427,972 3.441,973 4.205,974 4.89,976 7.847,977 4.146,978 7.524,979 1,980 9.129,981 2.819,982 6.125,983 7.325,984 0.05,985 10.849,986 6.029,987 8.892,988 0.871,989 10.9,990 2.275,991 6.698,992 7.978,994 12.808,995 6.611,996 10.291,997 0.684,998 12.714,999 2.07,1000 8.132,1001 9.876,1002 0.008,1003 15.393,1004 8.024,1005 11.711,1006 -0.028,1007 14.559,1008 1.669,1009 9.046,1010 10.926,1012 17.638,1013 8.947,1014 13.148,1015 -0.447,1016 16.425,1017 -0.073,1018 10.304,1019 12.586,1020 0.001,1021 20.104,1022 10.195,1023 3.315,1024 -0.618,1025 18.306,1026 -1.118,1027 11.362,1028 13.84,1030 22.458,1031 11.26,1032 3.054,1033 11.659,1034 20.199,1035 -1.478,1036 12.557,1037 15.39,1039 24.891,1040 12.451,1041 2.889,1042 10.245,1043 22.102,1044 4.434,1045 13.677,1046 16.749,1048 27.29,1049 13.576,1050 2.382,1051 9.217,1052 24.011,1053 4.007,1054 14.852,1055 18.251,1057 29.719,1058 14.751,1059 2.01,1060 7.131,1061 25.927,1062 3.694,1063 16,1064 19.663,1066 32.138,1067 15.902,1068 1.721,1069 5.878,1070 27.848,1071 3.121,1072 17.17,1073 21.145,1075 34.57,1076 17.075,1077 1.618,1078 4.977,1079 29.774,1080 2.843,1081 18.332,1082 22.586,1084 37,1085 18.24,1086 8205,1087 12036,1088 19.474,1089 34.273,1090 44.821,1091 43.994,1092 44.241,1093 43.913,1094 44.026,1095 60.182,1096 0.8,1097 130.368,1098 42.535,1099 5.278,1100 5.538,1101 6.8,1102 5.429,1103 5.315,1104 7.434,1105 0.8,1106 18.563,1107 5.315,1108 11.694,1109 1.546,1110 1.517,1111 1.526,1112 1.514,1113 1.518,1114 2.075,1115 0.028,1116 4.495,1117 1.467,1118 4.098,1119 4.121,1120 4.239,1121 4.055,1122 4.961,1123 4.048,1124 3.99,1125 4.015,1126 4.014,1127 3.954,1128 4.844,1129 3.937,1130 3.757,1131 3.79,1132 3.857,1133 3.732,1134 4.632,1135 3.672,1136 3.52,1137 3.574,1138 3.419,1139 3.428,1140 4.339,1141 3.404,1142 3.444,1143 3.488,1144 3.362,1145 3.374,1146 4.206,1147 3.35,1148 3.094,1149 3.151,1150 3.006,1151 2.985,1152 3.941,1153 2.98,1154 2.874,1155 3.009,1156 2.74,1157 2.735,1158 3.674,1159 2.715,1160 2.874,1161 3.009,1162 2.687,1163 2.659,1164 3.582,1165 2.633,1166 0.155,1167 0.122,1168 0.245,1169 0.149,1170 0.114,1171 4.504,1172 0.153,1173 3.538,1174 0.014,1175 7.111,1176 0.402,1177 4.315,1178 0.114,1179 3.315,1180 4.434,1181 0.4,1182 11.659,1183 3.315,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.289,1189 2.138,1190 1.966,1191 1.941,1192 2.091,1193 2.04,1194 1.285,1195 2.059,1196 1.632,1197 1.583,1198 1.845,1199 1.772,1200 0.978,1201 1.8,1202 1.499,1203 1.46,1204 1.668,1205 1.628,1206 0.708,1207 1.645,1208 1.294,1209 1.289,1210 1.417,1211 1.446,1212 0.548,1213 1.445,1214 1.23,1215 1.176,1216 1.417,1217 1.327,1218 0.469,1219 1.377,1220 0.992,1221 0.957,1222 1.366,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.821,1228 1.313,1229 1.239,1230 0.417,1231 1.308,1232 4.078,1233 5.425,1234 2.398,1235 6.961,1236 4.595,1237 8.578,1238 6.581,1239 10.236,1241 6.7,1248 3.48,1253 0.168,1257 31.498,1258 63.929,1259 151.721,1260 183.23,1261 213.284,1262 222.794,1263 226.794,1264 31.585,1265 7.617,1266 24.92,1267 53.16,1268 23,1269 12.509,1270 4.524,1271 3.585,1272 38.279,1273 106,1274 86,1275 0.179,1276 197.266,1277 327.53,1278 473.09,1279 22420,1281 18.148,1282 0.698,1283 0.619,1284 18.502,1285 16.1,1286 12.504,1287 0.431,1288 0.334,1289 8.864,1290 11.932,1291 8.385,1292 7.069,1293 12.958,1294 9.698,1295 12.052,1296 0.287,1297 0.199,1298 12.629,1299 8.375,1300 9.604,1301 0.178,1302 0.099,1303 10.244,1304 5.34,1305 8.005,1306 0.116,1307 0.055,1308 8.739,1309 3.786,1310 6.235,1311 0.074,1312 0.029,1313 6.853,1314 2.465,1315 0.285,1316 80.383,1317 0.227,1318 25.313,1319 0.478,1320 142,1321 304.838,1322 169.558,1323 335.384,1324 478.25,1325 316,1326 167,1327 354.47,1328 189.981,1329 384.836,1330 560.5,1331 361,1332 6.046}
{0 CHEMBL205910,1 1.31,2 7.947,3 4.566,4 20.847,5 82.616,6 7.428,7 0.762,8 3.65,9 3.76,10 3.3,11 3.368,12 4.652,13 3.272,14 4.166,15 4.331,16 3.653,17 3.75,18 5.08,19 3.63,20 4.377,21 4.584,22 3.58,23 3.83,24 5.251,25 3.678,26 4.432,27 4.667,28 3.564,29 3.816,30 5.261,31 3.622,32 4.306,33 4.537,34 3.401,35 3.691,36 5.083,37 3.46,38 4.06,39 4.292,40 3.271,41 3.464,42 4.889,43 3.271,44 3.982,45 4.242,46 3.013,47 3.325,48 4.754,49 3.142,50 3.764,51 3.968,52 2.688,53 3.176,54 4.587,55 3.001,56 0.032,57 0.444,58 7.923,59 3.582,60 6.602,61 4.825,62 0.078,63 0.775,64 15.468,65 6.321,66 10.558,67 8.398,68 0.103,69 0.966,70 19.444,71 7.893,72 16.569,73 10.409,74 0.121,75 1.037,76 21.601,77 8.587,78 19.159,79 11.168,80 0.104,81 0.936,82 24.215,83 9.092,84 14.614,85 10.636,86 0.081,87 0.72,88 16.164,89 6.286,90 12.618,91 7.848,92 0.08,93 0.66,94 15.373,95 5.893,96 11.865,97 7.409,98 0.041,99 0.491,100 9.555,101 4.238,102 8.519,103 5.83,104 6,105 29,106 0.237,107 0.553,108 0.691,109 0.77,110 0.818,111 0.838,112 3.011,113 1.075,114 -4.9,115 -4.81,116 -4.51,119 47.2,120 2,121 1,122 1,138 7,139 3,142 1,147 1,154 1,163 14,166 3,172 18,176 3,183 17,187 2,194 14,198 3,205 9,209 3,217 7,221 1,227 8,238 9,249 7,252 405,253 12.93,254 12.93,255 12.93,256 12.93,257 12.93,258 11.074,259 12.127,260 7.687,261 13.178,262 10.383,263 10.383,264 10.383,265 10.383,266 10.383,267 7.613,268 14.706,269 3.643,270 10.801,271 3.86,272 2.116,273 1.352,274 0.917,275 0.653,276 0.542,277 3.691,282 1,283 1,284 326,285 2.55,287 46.482,288 87.72,292 75.166,295 1.119,296 6.726,298 1,299 1,300 1,301 1,302 0.7,303 0.5,304 1,305 1,306 0.89,307 38.5,308 151,309 4.502,310 3.201,311 6.515,312 4.045,313 3.052,314 4.433,315 0.68,316 10.244,317 3.037,318 4.175,319 3.01,320 5.999,321 3.774,322 2.832,323 3.775,325 8.566,326 2.674,327 3.572,328 2.558,329 5.376,330 3.254,331 2.291,332 2.929,334 6.831,335 2.204,336 3.294,337 2.035,338 4.986,339 2.879,340 1.929,341 2.513,343 5.633,344 1.799,345 3.118,346 1.618,347 4.148,348 2.618,349 1.618,350 2.427,352 3.773,353 1.618,354 2.768,355 1.292,356 3.686,357 2.273,358 1.274,359 1.901,361 2.86,362 1.272,363 2.443,364 1.218,365 3.583,366 2.106,367 1.143,368 1.427,370 2.692,371 1.092,372 2.288,373 0.916,374 3.308,375 1.841,376 0.855,377 1.203,379 2.02,380 0.839,381 2.097,382 0.664,383 3.253,384 1.461,385 0.659,386 0.942,388 1.605,389 0.519,390 1.305,391 0.149,392 2.757,393 0.94,394 -0.039,395 -0.051,397 -0.102,398 -0.038,399 0.882,400 -0.522,401 2.321,402 0.382,403 -0.618,404 -0.905,406 -1.478,407 -0.618,408 0.734,409 -0.618,410 2,411 0.319,412 -0.665,413 -0.927,415 -1.748,416 -0.653,417 0.401,418 -0.906,419 1.928,421 -1,422 -1,424 -2,425 -1,426 0.058,427 -1,428 1.772,429 -0.046,430 -1.035,431 -1.398,433 -2.587,434 -1.001,436 -1.052,437 1.461,438 -0.373,439 -1.276,440 -1.577,442 -3.666,443 -1.084,444 9.733,445 0.512,446 0.435,447 0.023,448 25,449 1.316,450 14,451 0.737,452 11,453 0.579,454 14.895,455 0.784,456 19.067,457 0.53,458 13.653,459 0.719,460 4.508,461 0.237,462 4.729,463 0.249,464 0.103,466 0.308,472 0.757,473 0.968,474 0.774,475 0.846,476 0.987,477 0.88,478 0.766,479 1.048,480 0.866,481 0.948,482 0.797,483 0.901,484 1.299,485 1.02,486 0.999,487 0.982,488 1.135,489 1.01,490 1.427,491 0.955,492 1.005,493 0.943,494 1.31,495 1.004,496 1.185,497 1.184,498 1.62,499 1.398,500 0.891,501 1.116,502 1.257,503 1.043,504 1.131,505 1.041,506 0.966,507 0.966,508 1.243,509 0.799,510 1.093,511 0.924,512 0.917,513 0.815,514 0.872,515 1.185,516 1.053,517 1.186,518 1.162,519 1.316,520 3.5,521 0.025,522 2,523 1.16,524 0.886,525 0.288,526 0.233,527 0.215,528 0.14,529 0.076,530 3290,531 7026,532 2.113,533 47.2,534 6,535 7,536 1,539 3,542 1.602,543 2,544 3.01,545 -0.879,550 47.144,551 1.31,552 3.054,553 3.818,554 4.253,555 4.517,556 4.628,557 2.439,558 4.037,559 4.222,560 3.125,561 534.403,562 7.185,563 5209.29,565 1,568 186.117,569 1.324,570 4.189,571 0.167,572 0.012,573 0.069,574 0.043,575 0.039,576 0.015,577 0.014,578 0.014,579 0.013,580 0.011,581 0.396,582 0.83,583 1,584 0.789,585 82.027,586 0.075,587 -0.001,588 0.079,589 0.055,590 -0.079,591 0.043,592 0.207,593 -0.066,594 0.087,595 0.005,596 0.109,597 0.046,598 -0.138,599 -0.024,600 -0.089,601 -0.06,602 -0.089,603 -0.069,604 -0.171,605 0.057,606 -0.015,607 0.024,608 -0.194,609 -0.048,610 -0.067,611 -0.149,612 -0.191,613 -0.174,614 0.042,615 -0.098,616 0.001,617 -0.016,618 0.021,619 0.018,620 0.104,621 0.011,622 -0.083,623 0.212,624 0.006,625 0.115,626 0.117,627 0.175,628 -0.259,629 -0.283,630 -0.321,631 -0.339,632 -0.311,633 -0.373,634 0.822,635 1.73,636 0.789,637 11.701,638 0.979,639 1.104,640 3.671,641 13.479,642 0.715,643 3.091,644 3.401,645 3.664,646 3.912,647 4.078,648 4.078,649 4.143,650 4.263,651 4.317,652 4.159,653 4.861,654 0.651,655 267.42,656 3.091,657 4.615,658 5.46,659 6.33,660 7.192,661 8.066,662 8.933,663 9.808,664 10.678,665 11.553,666 2.8,676 1,680 2,681 8,682 1,685 1,686 3,688 16,703 36,705 16,706 2,707 21,709 38,710 17,711 13,712 3,713 7,717 3,718 4,721 2,727 1,729 13,730 4,731 1,744 1,747 17,748 1,750 2,751 1,755 1,760 0.667,775 1,776 2,780 1,796 2,799 1,801 2,805 19,810 1,814 1,819 1,832 9.5,833 7.117,834 4.167,835 2.294,836 3.18,837 1.481,838 1.003,839 3.435,840 9.797,841 3.401,842 4.039,843 4.667,844 5.279,845 5.758,846 6.009,847 6.398,848 6.83,849 7.222,850 7.207,851 1,852 27,853 7.018,854 2.911,855 7.395,856 13.942,857 11.588,859 1.895,860 36,861 0.003,864 200.109,865 137.463,866 16.786,870 31.278,871 106.186,872 200.109,873 16.786,874 17.65,875 2.535,876 73.983,877 17.715,878 11.088,879 11.771,880 219.615,882 200.109,883 122.971,885 31.278,887 200.109,891 23.871,892 82.314,893 16.786,894 31.278,895 200.109,896 16.786,897 137.463,900 200.109,901 45.83,902 91.633,904 16.786,905 200.109,906 16.786,907 137.463,909 0.579,910 0.338,911 0.182,912 0.096,913 15,914 6,915 0.079,916 3,917 1,918 1.133,919 3.19,920 139.828,921 0.133,922 15,923 76.711,924 1,928 12.499,929 5.222,930 2.592,931 2.645,932 16.786,933 17.25,934 4.73,937 1.77,938 3.781,941 354.358,942 29,952 35.247,953 39.74,954 0.253,955 0.591,956 0.738,957 0.823,958 0.874,959 0.895,960 4.605,961 0.855,962 5.434,963 2.692,964 4.078,965 4.723,966 0.655,967 6.225,968 4.008,969 5.817,970 0.659,971 6.978,972 2.02,973 3.611,974 4.477,976 7.086,977 3.532,978 7.12,979 -0.039,980 8.624,981 1.605,982 5.645,983 6.983,984 0.356,985 10.173,986 5.526,987 8.464,988 -0.618,989 10.331,990 -0.102,991 6.019,992 7.625,994 11.879,995 5.884,996 9.841,997 -0.665,998 12.076,999 -1.478,1000 7.505,1001 9.549,1002 0.18,1003 14.46,1004 7.349,1005 11.243,1006 -1,1007 13.847,1008 -1.748,1009 8.263,1010 10.621,1012 16.509,1013 8.095,1014 12.664,1015 -1.035,1016 15.638,1017 -2,1018 9.523,1019 12.292,1020 0.087,1021 18.917,1022 9.341,1023 3.052,1024 -1.276,1025 17.442,1026 -2.587,1027 10.462,1028 13.575,1030 21.113,1031 10.272,1032 2.832,1033 10.244,1034 19.256,1035 -3.666,1036 11.625,1037 15.135,1038 0.041,1039 23.46,1040 11.426,1041 2.291,1042 8.566,1043 21.078,1044 4.433,1045 12.649,1046 16.521,1048 25.722,1049 12.444,1050 1.929,1051 6.831,1052 22.907,1053 3.775,1054 13.772,1055 18.033,1056 0.019,1057 28.048,1058 13.561,1059 1.618,1060 5.633,1061 24.742,1062 2.929,1063 14.835,1064 19.468,1066 30.339,1067 14.621,1068 1.274,1069 3.773,1070 26.581,1071 2.513,1072 15.943,1073 20.961,1074 0.009,1075 32.66,1076 15.725,1077 1.143,1078 2.86,1079 28.424,1080 2.427,1081 17.025,1082 22.42,1084 34.966,1085 16.805,1086 3213,1087 4789,1088 14.216,1089 25.745,1090 31.656,1091 31.379,1092 31.994,1093 31.187,1094 31.306,1095 43.102,1096 1.36,1097 88.446,1098 30.109,1099 5.276,1100 5.201,1101 6.204,1102 5.124,1103 5.052,1104 7.433,1105 1.36,1106 17.085,1107 5.037,1108 7.587,1109 1.507,1110 1.494,1111 1.524,1112 1.485,1113 1.491,1114 2.052,1115 0.065,1116 4.212,1117 1.434,1118 4.099,1119 4.119,1120 4.236,1121 4.069,1122 4.914,1123 4.058,1124 3.872,1125 3.9,1126 4.014,1127 3.855,1128 4.785,1129 3.794,1130 3.515,1131 3.568,1132 3.408,1133 3.431,1134 4.33,1135 3.413,1136 3.407,1137 3.459,1138 3.354,1139 3.332,1140 4.09,1141 3.285,1142 3.115,1143 3.168,1144 3.031,1145 3.038,1146 3.854,1147 3.01,1148 2.874,1149 3.009,1150 2.618,1151 2.658,1152 3.467,1153 2.634,1154 2.789,1155 2.867,1156 2.533,1157 2.618,1158 3.461,1159 2.57,1160 2.661,1161 2.719,1162 2.499,1163 2.569,1164 3.402,1165 2.553,1166 0.214,1167 0.152,1168 0.31,1169 0.193,1170 0.145,1171 4.502,1172 0.211,1173 3.201,1174 0.032,1175 6.515,1176 0.488,1177 4.045,1178 0.145,1179 3.052,1180 4.433,1181 0.68,1182 10.244,1183 3.037,1184 2.082,1185 2.065,1186 2.165,1187 2.132,1188 1.333,1189 2.145,1190 1.712,1191 1.66,1192 1.939,1193 1.864,1194 1.156,1195 1.893,1196 1.551,1197 1.521,1198 1.709,1199 1.65,1200 0.898,1201 1.682,1202 1.366,1203 1.34,1204 1.517,1205 1.472,1206 0.641,1207 1.508,1208 1.128,1209 1.083,1210 1.417,1211 1.259,1212 0.469,1213 1.31,1214 0.978,1215 0.929,1216 1.273,1217 1.239,1218 0.445,1219 1.308,1220 0.934,1221 0.804,1222 1.173,1223 1.104,1224 0.268,1225 1.144,1226 0.691,1227 0.639,1228 0.948,1229 0.839,1230 0.06,1231 0.879,1232 3.761,1233 5.069,1234 2.398,1235 6.572,1236 4.595,1237 8.166,1238 6.581,1239 9.807,1241 4.382,1247 0.929,1251 0.512,1257 23.423,1258 47.144,1259 109.936,1260 137.446,1261 153.098,1262 162.608,1263 166.608,1264 20.642,1265 6.617,1266 12.89,1267 41.13,1268 17,1269 12.093,1270 4.087,1271 3.17,1272 27.833,1273 55,1274 50,1275 0.253,1276 149.094,1277 243.91,1278 355.548,1279 5914,1281 13.242,1282 0.697,1283 0.636,1284 13.596,1285 12.075,1286 9.237,1287 0.44,1288 0.358,1289 6.71,1290 8.711,1291 6.349,1292 5.336,1293 9.691,1294 7.527,1295 8.318,1296 0.287,1297 0.21,1298 8.896,1299 6.079,1300 6.884,1301 0.181,1302 0.112,1303 7.523,1304 4.25,1305 5.726,1306 0.117,1307 0.067,1308 6.508,1309 3.26,1310 4.479,1311 0.077,1312 0.038,1313 5.07,1314 2.215,1315 0.388,1316 60.373,1317 0.265,1318 18.881,1319 0.717,1320 100,1321 214.506,1322 124.892,1323 240.943,1324 341.47,1325 228,1326 117,1327 244.217,1328 137.816,1329 268.134,1330 390.04,1331 253,1332 4.602}
{0 CHEMBL206039,1 1.473,2 8.05,3 4.393,4 19.294,5 83.385,6 7.66,7 0.727,8 3.696,9 3.817,10 3.36,11 3.345,12 4.754,13 3.271,14 4.202,15 4.377,16 3.755,17 3.723,18 5.188,19 3.639,20 4.414,21 4.605,22 3.686,23 3.817,24 5.408,25 3.695,26 4.584,27 4.87,28 3.682,29 3.806,30 5.43,31 3.625,32 4.283,33 4.503,34 3.486,35 3.636,36 5.164,37 3.426,38 3.978,39 4.202,40 3.313,41 3.369,42 4.924,43 3.231,44 3.941,45 4.177,46 3.11,47 3.344,48 4.777,49 3.19,50 3.864,51 4.051,52 2.914,53 3.284,54 4.778,55 3.136,56 0.033,57 0.544,58 7.959,59 3.496,60 7.712,61 4.57,62 0.122,63 0.902,64 16.05,65 5.917,66 14.34,67 7.903,68 0.124,69 1.085,70 18.172,71 7.18,72 20.303,73 9.618,74 0.225,75 1.231,76 26.298,77 8.918,78 30.57,79 11.754,80 0.182,81 0.988,82 26.804,83 8.476,84 18.57,85 9.382,86 0.13,87 0.715,88 13.977,89 4.583,90 15.033,91 5.751,92 0.087,93 0.638,94 14.497,95 5.361,96 11.91,97 6.75,98 0.039,99 0.582,100 9.959,101 4.443,102 10.207,103 6.083,104 11,105 32,106 0.265,107 0.614,108 0.71,109 0.766,110 0.776,111 0.776,112 3.058,113 1.021,114 -4.29,115 -4.23,116 -3.99,119 43.2,120 3,123 1,138 5,139 1,140 1,141 1,142 2,147 1,155 1,163 8,166 4,169 1,171 2,172 7,176 6,179 1,181 2,183 4,187 2,192 3,194 6,197 1,198 3,203 4,205 3,209 2,217 3,221 2,227 6,231 3,238 8,249 7,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.353,259 15.55,260 7.685,261 13.564,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.149,268 25.3,269 3.657,270 11.516,271 3.736,272 1.799,273 1.267,274 0.954,275 0.9,276 0.9,277 3.734,282 1,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 9.642,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 41.5,308 161,309 4.513,310 3.55,311 7.118,312 4.311,313 3.328,314 4.434,315 0.4,316 11.7,317 3.278,318 4.453,319 3.101,320 6.514,321 4.015,322 3.041,323 3.91,325 10.24,326 2.963,327 3.796,328 2.595,329 5.495,330 3.369,331 2.487,332 3.085,334 7.378,335 2.201,336 3.435,337 2.065,338 5.089,339 2.971,340 2.012,341 2.804,343 5.973,344 1.902,345 3.118,346 1.618,347 4.421,348 2.586,349 1.618,350 2.427,352 4.118,353 1.565,354 2.775,355 1.446,356 4.124,357 2.32,358 1.377,359 1.907,361 3.709,362 1.291,363 2.7,364 1.267,365 3.591,366 2.247,367 1.263,368 1.761,370 2.821,371 1.236,372 2.328,373 0.918,374 3.342,375 1.823,376 0.875,377 1.252,379 2.073,380 0.825,381 2.165,382 0.696,383 3.268,384 1.477,385 0.683,386 1.007,388 1.667,389 0.533,390 1.307,391 0.085,392 2.854,393 0.907,394 -0.037,395 -0.047,397 -0.096,398 -0.034,399 0.882,400 -0.576,401 2.536,402 0.36,403 -0.618,404 -0.904,406 -1.478,407 -0.603,408 0.735,409 -0.618,410 2.312,411 0.29,412 -0.664,413 -0.927,415 -1.753,416 -0.632,417 0.402,418 -0.934,419 2,421 -1,422 -1,424 -2.599,425 -0.985,426 0.059,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.067,439 -1.035,440 -1.408,442 -3,443 -1,444 10.033,445 0.502,446 0.634,447 0.032,448 27,449 1.35,450 14.5,451 0.725,452 12.5,453 0.625,454 16.181,455 0.809,456 20.567,457 0.556,458 15.549,459 0.777,460 4.801,461 0.24,462 4.737,463 0.237,464 0.15,465 0.05,466 0.249,472 0.912,473 1.151,474 0.764,475 0.89,476 1.045,477 0.894,478 0.691,479 1.092,480 0.77,481 0.933,482 0.64,483 0.814,484 1.057,485 1.327,486 0.968,487 1.133,488 1.042,489 1.202,490 1.403,491 0.752,492 0.818,493 0.661,494 1.274,495 0.735,496 1.244,497 1.308,498 2.054,499 1.73,500 0.88,501 1.212,502 1.891,503 0.885,504 1.146,505 0.845,506 1.292,507 0.867,508 0.903,509 0.779,510 1.133,511 0.974,512 0.857,513 0.849,514 0.687,515 1.291,516 1.037,517 1.282,518 0.996,519 1.407,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 8515,532 2.065,533 45.9,534 9,535 5,536 1,537 1,538 1,542 1.617,543 1.92,544 3.011,545 -0.32,547 1,550 54.508,551 1.473,552 3.411,553 3.942,554 4.256,555 4.31,556 4.31,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,565 1,567 1,568 192.75,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.67,583 1,584 0.843,585 88.095,586 -0.005,587 -0.076,588 0.074,589 0.036,590 -0.163,591 0.03,592 0.301,593 -0.049,594 0.182,595 0.04,596 0.293,597 0.136,598 0.015,599 -0.306,600 -0.149,601 -0.261,602 -0.034,603 -0.286,604 -0.125,605 0.239,606 0.191,607 0.291,608 -0.085,609 0.224,610 -0.022,611 -0.201,612 -0.346,613 -0.33,614 0.08,615 -0.18,616 -0.371,617 0.231,618 -0.042,619 0.152,620 -0.183,621 0.05,622 -0.091,623 0.191,624 -0.036,625 0.099,626 0.047,627 0.163,628 -0.11,629 -0.369,630 -0.333,631 -0.422,632 -0.19,633 -0.449,634 1.173,635 1.663,636 0.75,637 12.82,638 0.988,639 1.117,640 3.06,641 9.361,642 0.703,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.647,655 283.43,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 8.1,674 1,676 2,680 2,681 7,682 2,685 1,686 3,688 16,697 1,703 37,705 16,706 1,707 22,709 39,710 16,711 12,712 3,713 3,717 3,718 4,721 3,722 1,729 12,730 4,744 1,747 17,748 3,749 1,750 4,751 1,755 3,760 0.667,770 1,775 1,776 2,780 1,796 2,799 1,801 3,805 20,811 1,816 1,819 1,832 10.417,833 7.65,834 4.222,835 2.154,836 3.191,837 1.475,838 0.981,839 3.367,840 9.909,841 3.434,842 4.09,843 4.695,844 5.302,845 5.786,846 6.047,847 6.415,848 6.857,849 7.26,850 7.273,851 1,852 29,853 7.359,854 3.066,855 7.496,856 14.364,857 11.805,859 1.996,860 39.917,861 0.001,864 188.338,865 132.562,866 51.582,870 31.278,871 101.285,872 188.338,873 51.582,874 26.476,876 55.03,877 45.342,878 37.79,879 11.771,880 196.073,882 188.338,883 152.866,885 31.278,887 188.338,891 58.935,892 60.36,893 33.571,894 31.278,895 188.338,896 51.582,897 132.562,900 188.338,901 42.009,902 90.553,903 18.011,904 33.571,905 188.338,906 51.582,907 132.562,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.077,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 79.684,924 1,928 13.351,929 5.043,930 2.795,931 2.104,932 51.582,933 14.077,934 9.11,937 1.63,938 3.018,940 18.011,941 372.482,942 30,952 36.567,953 41.321,954 0.283,955 0.655,956 0.757,957 0.817,958 0.827,959 0.827,960 4.673,961 0.875,962 5.572,963 2.821,964 4.174,965 4.775,966 0.278,967 6.431,968 4.077,969 5.922,970 0.683,971 7.171,972 2.073,973 4.007,974 4.663,976 7.662,977 3.924,978 7.258,979 -0.037,980 8.887,981 1.667,982 5.878,983 7.053,984 0.05,985 10.652,986 5.724,987 8.633,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.759,994 12.663,995 6.374,996 10.04,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.63,1002 0.008,1003 15.258,1004 7.744,1005 11.469,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.728,1012 17.538,1013 8.71,1014 12.914,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 12.374,1020 0.001,1021 20.021,1022 9.94,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.666,1030 22.397,1031 11.028,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 15.212,1039 24.848,1040 12.213,1041 2.487,1042 10.24,1043 21.974,1044 4.434,1045 13.565,1046 16.599,1048 27.263,1049 13.348,1050 2.012,1051 7.378,1052 23.898,1053 3.91,1054 14.751,1055 18.103,1057 29.706,1058 14.519,1059 1.618,1060 5.973,1061 25.827,1062 3.085,1063 15.916,1064 19.536,1066 32.137,1067 15.675,1068 1.377,1069 4.118,1070 27.76,1071 2.804,1072 17.099,1073 21.023,1075 34.58,1076 16.844,1077 1.263,1078 3.709,1079 29.697,1080 2.427,1081 18.275,1082 22.479,1084 37.02,1085 18.008,1086 3656,1087 5662,1088 14.504,1089 25.995,1090 34.023,1091 33.335,1092 33.563,1093 33.223,1094 33.37,1095 45.173,1096 0.8,1097 99.357,1098 31.588,1099 5.288,1100 5.55,1101 6.807,1102 5.423,1103 5.328,1104 7.434,1105 0.8,1106 18.733,1107 5.278,1108 9.403,1109 1.547,1110 1.515,1111 1.526,1112 1.51,1113 1.517,1114 2.053,1115 0.036,1116 4.516,1117 1.436,1118 4.076,1119 4.105,1120 4.233,1121 4.007,1122 5.015,1123 4.005,1124 3.891,1125 3.923,1126 4.001,1127 3.857,1128 4.823,1129 3.808,1130 3.526,1131 3.582,1132 3.503,1133 3.441,1134 4.397,1135 3.397,1136 3.419,1137 3.467,1138 3.351,1139 3.339,1140 4.212,1141 3.312,1142 3.044,1143 3.108,1144 2.979,1145 2.895,1146 3.982,1147 2.901,1148 2.874,1149 3.009,1150 2.554,1151 2.618,1152 3.63,1153 2.57,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.688,1161 2.765,1162 2.499,1163 2.578,1164 3.467,1165 2.564,1166 0.205,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.513,1172 0.202,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.311,1178 0.149,1179 3.328,1180 4.434,1181 0.4,1182 11.7,1183 3.278,1184 2.031,1185 2.006,1186 2.106,1187 2.12,1188 1.214,1189 2.118,1190 1.778,1191 1.73,1192 1.988,1193 1.915,1194 1.208,1195 1.943,1196 1.475,1197 1.433,1198 1.638,1199 1.619,1200 0.669,1201 1.63,1202 1.278,1203 1.268,1204 1.417,1205 1.427,1206 0.515,1207 1.434,1208 1.122,1209 1.06,1210 1.417,1211 1.257,1212 0.469,1213 1.31,1214 0.934,1215 0.841,1216 1.312,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.251,1223 1.239,1224 0.328,1225 1.308,1226 0.888,1227 0.804,1228 1.024,1229 1.043,1230 0.108,1231 1.064,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.516,1248 3.384,1253 0.077,1257 23.939,1258 54.508,1259 126.204,1260 145.856,1261 157.466,1262 159.466,1263 159.466,1264 23.729,1265 6.718,1266 37.81,1267 66.05,1268 17,1269 12.226,1270 4.087,1271 3.17,1272 29.997,1273 61,1274 46,1275 0.249,1276 153.09,1277 248.61,1278 365.299,1279 6698,1281 14.165,1282 0.708,1283 0.633,1284 14.518,1285 12.661,1286 9.538,1287 0.434,1288 0.34,1289 6.636,1290 8.899,1291 6.228,1292 5.276,1293 9.992,1294 7.487,1295 9.377,1296 0.293,1297 0.208,1298 9.954,1299 6.652,1300 7.125,1301 0.178,1302 0.098,1303 7.754,1304 3.905,1305 5.868,1306 0.115,1307 0.058,1308 6.687,1309 2.945,1310 4.617,1311 0.076,1312 0.031,1313 5.252,1314 1.899,1315 0.384,1316 63.039,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 256.483,1322 137.279,1323 280.983,1324 395.85,1325 264,1326 126,1327 288.935,1328 151.173,1329 313.899,1330 456.48,1331 293,1332 4.602}
{0 CHEMBL206103,1 1.434,2 7.25,3 4.206,4 17.692,5 69.464,6 7.262,7 0.647,8 3.527,9 3.655,10 3.151,11 3.167,12 4.545,13 3.071,14 4.03,15 4.218,16 3.528,17 3.524,18 4.969,19 3.412,20 4.234,21 4.441,22 3.359,23 3.585,24 5.163,25 3.422,26 4.407,27 4.722,28 3.38,29 3.559,30 5.161,31 3.322,32 4.007,33 4.242,34 3.101,35 3.346,36 4.799,37 3.085,38 3.6,39 3.809,40 2.786,41 3.001,42 4.527,43 2.86,44 3.66,45 3.917,46 2.552,47 2.992,48 4.407,49 2.819,50 3.613,51 3.827,52 2.347,53 2.962,54 4.45,55 2.759,56 0.036,57 0.46,58 7.621,59 3.213,60 7.125,61 4.281,62 0.117,63 0.751,64 14.884,65 5.316,66 13.004,67 7.216,68 0.098,69 0.88,70 16.584,71 6.314,72 17.86,73 8.59,74 0.182,75 0.98,76 23.251,77 7.798,78 24.82,79 10.224,80 0.118,81 0.73,82 23.062,83 7.238,84 12.87,85 7.616,86 0.104,87 0.487,88 10.142,89 3.052,90 10.684,91 3.973,92 0.045,93 0.44,94 9.41,95 3.955,96 7.885,97 5.399,98 0.026,99 0.421,100 7.604,101 3.653,102 8.989,103 5.187,104 11,105 24,106 0.272,107 0.591,108 0.643,109 0.688,110 0.704,111 0.704,112 2.852,113 1.097,114 -4.52,115 -4.44,116 -4.19,119 40.6,120 3,123 1,138 5,140 1,142 1,147 1,155 1,163 7,166 2,169 1,171 3,172 7,176 3,181 2,183 3,187 2,192 2,194 5,198 2,203 3,205 2,209 1,217 3,227 8,238 7,249 3,252 252,253 10.334,254 10.334,255 10.334,256 10.334,257 10.334,258 9.027,259 15.55,260 6.144,261 10.646,262 8.424,263 8.424,264 8.424,265 8.424,266 8.424,267 6.52,268 25.3,269 2.967,270 8.961,271 3.566,272 1.888,273 1.614,274 1.376,275 1.29,276 1.29,277 3.496,282 1,283 1,284 239,285 2.915,287 44.562,288 53.61,295 1.156,296 6.291,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 33,308 116,309 4.471,310 3.55,311 7.118,312 4.311,313 3.328,314 3.922,315 0.4,316 11.699,317 3.278,318 3.968,319 2.815,320 5.599,321 3.581,322 2.655,323 3.455,325 7.754,326 2.485,327 3.662,328 2.312,329 5.12,330 3.179,331 2.268,332 2.978,334 6.344,335 2.023,336 2.921,337 1.581,338 4.394,339 2.491,340 1.521,341 2.084,343 4.075,344 1.472,345 2.641,346 1.314,347 3.58,348 2.208,349 1.26,350 1.687,352 2.975,353 1.18,354 2.5,355 1,356 3.279,357 2,358 1,359 1.5,361 2.136,362 1,363 2.167,364 0.701,365 3.247,366 1.478,367 0.687,368 1.01,370 1.679,371 0.534,372 1.173,373 0.046,374 2.825,375 0.82,376 -0.113,377 -0.14,379 -0.298,380 -0.105,381 0.5,382 -0.762,383 2.494,384 0.058,385 -0.901,386 -1,388 -2.18,389 -0.857,390 0.483,391 -1,392 2,394 -1,395 -1,397 -2.347,398 -1,399 0.057,400 -1,401 2,403 -1,404 -1.168,406 -3,407 -1,409 -1,410 1.61,412 -1,413 -1.5,415 -3,416 -1,418 -1.044,419 1.555,420 -0.396,421 -1.286,422 -1.567,424 -3.806,425 -1.061,426 -0.117,427 -1.455,428 1.272,429 -0.623,430 -1.55,431 -2.062,433 -4.549,434 -1.438,435 -0.5,436 -1.76,437 0.948,438 -1,439 -1.908,440 -2.57,442 -4.789,443 -1.72,444 8.133,445 0.508,446 0.531,447 0.033,448 20,449 1.25,450 10.5,451 0.656,452 9.5,453 0.594,454 12.906,455 0.807,456 17.067,457 0.533,458 10.212,459 0.638,460 3.498,461 0.219,462 4.056,463 0.254,464 0.184,465 0.061,466 0.184,472 0.976,473 1.155,474 0.811,475 0.914,476 1.177,477 0.955,478 0.581,479 1.119,480 0.8,481 0.98,482 0.549,483 0.87,484 1.238,485 1.412,486 1.028,487 1.184,488 1.237,489 1.295,490 1.408,491 0.653,492 0.777,493 0.607,494 1.289,495 0.684,496 1.458,497 1.359,498 2.365,499 1.882,500 0.798,501 1.193,502 2.707,503 0.828,504 1.473,505 0.988,506 1.847,507 1.028,508 0.467,509 0.78,510 0.761,511 0.856,512 0.594,513 0.936,514 0.392,515 1.249,516 0.881,517 1.224,518 1.135,519 1.503,520 4.5,522 1.556,523 0.938,524 0.766,525 0.223,526 0.314,527 0.172,528 0.091,529 0.047,530 1954,531 4304,532 1.979,533 50,534 9,535 5,536 1,538 1,542 1.546,543 1.829,544 2.88,545 -0.291,547 1,550 45.894,551 1.434,552 3.112,553 3.386,554 3.624,555 3.71,556 3.71,557 2.281,558 3.328,559 3.974,560 3.007,561 360.805,562 6.668,563 3133.98,565 1,567 1,568 160,569 1.623,570 3.903,571 0.265,573 0.065,574 0.049,575 0.048,576 0.017,577 0.029,578 0.017,579 0.013,580 0.016,581 0.518,582 0.83,583 1,584 0.953,585 64.886,586 0.003,587 -0.048,588 0.074,589 0.047,590 -0.216,591 0.027,592 0.438,593 -0.067,594 0.187,595 0.018,596 0.4,597 0.113,598 -0.116,599 -0.392,600 -0.197,601 -0.306,602 -0.178,603 -0.361,604 -0.095,605 0.31,606 0.229,607 0.332,608 -0.081,609 0.252,610 -0.174,611 -0.222,612 -0.419,613 -0.332,614 0.152,615 -0.127,616 -0.774,617 0.37,618 -0.382,619 -0.02,620 -0.593,621 -0.133,622 -0.01,623 0.091,624 -0.023,625 0.023,626 0.136,627 0.054,628 -0.121,629 -0.392,630 -0.324,631 -0.433,632 -0.382,633 -0.527,634 1.132,635 1.584,636 0.688,637 9.75,638 0.983,639 1.119,640 3.289,641 10.814,642 0.687,643 2.89,644 3.219,645 3.332,646 3.497,647 3.584,648 3.526,649 3.466,650 3.497,651 3.367,652 3.219,653 4.511,654 0.622,655 232.38,656 2.89,657 4.419,658 5.22,659 6.089,660 6.915,661 7.783,662 8.619,663 9.486,664 10.328,665 11.195,666 6.3,674 1,676 1,681 6,682 1,685 1,686 3,688 11,697 1,703 32,705 11,706 1,707 17,709 33,710 13,711 9,712 1,713 5,717 2,718 2,721 3,722 1,729 9,730 4,744 1,747 16,748 2,749 1,750 3,751 1,755 2,760 1,775 1,776 1,796 2,799 1,801 3,805 16,811 1,816 1,819 1,832 8.75,833 6.617,834 3.417,835 1.829,836 1.975,837 1.342,838 0.941,839 3.173,840 7.756,841 3.157,842 3.732,843 4.199,844 4.707,845 5.011,846 5.041,847 5.238,848 5.614,849 5.837,850 6.019,851 0.8,852 19,853 5.888,854 2.37,855 7.474,856 11.531,857 9.202,859 1.974,860 31.583,861 0.005,864 176.567,865 118.798,866 34.796,870 31.278,871 87.52,872 176.567,873 34.796,874 26.476,876 55.03,877 16.786,878 24.025,879 11.771,880 196.073,882 176.567,883 122.316,885 31.278,887 176.567,891 47.744,892 57.787,893 16.786,894 31.278,895 176.567,896 34.796,897 118.798,900 176.567,901 37.292,902 81.506,903 18.011,904 16.786,905 176.567,906 34.796,907 118.798,909 0.59,910 0.308,911 0.148,912 0.078,913 12,914 5,915 0.091,916 3,918 1,919 2.847,920 102.525,922 11,923 55.245,924 1,928 11.434,929 4.44,930 2.975,932 34.796,933 12.233,934 4.584,937 1.649,938 3.171,940 18.011,941 330.161,942 22.5,952 31.465,953 35.823,954 0.287,955 0.622,956 0.677,957 0.725,958 0.742,959 0.742,960 4.379,961 -0.113,962 5.263,963 1.679,964 3.892,965 4.413,966 0.278,967 6.084,968 3.783,969 5.606,970 -0.901,971 6.843,972 -0.298,973 3.761,974 4.182,976 7.357,977 3.669,978 6.921,979 -1,980 8.547,981 -2.18,982 5.58,983 6.547,984 0.05,985 10.282,986 5.408,987 8.274,988 -1,989 10.33,990 -2.347,991 6.236,992 7.071,994 12.346,995 6.091,996 9.656,997 -1,998 12.163,999 -3,1000 7.627,1001 8.937,1002 0.008,1003 14.924,1004 7.436,1005 11.061,1006 -1.286,1007 14.031,1008 -3,1009 8.598,1010 9.823,1012 17.248,1013 8.425,1014 12.481,1015 -1.55,1016 15.923,1017 -3.806,1018 9.848,1019 11.451,1020 0.001,1021 19.74,1022 9.652,1023 3.328,1024 -1.908,1025 17.833,1026 -4.549,1027 10.949,1028 12.533,1030 22.152,1031 10.759,1032 2.655,1033 11.699,1034 19.756,1035 -4.789,1036 12.155,1037 14.037,1039 24.62,1040 11.952,1041 2.268,1042 7.754,1043 21.688,1044 3.922,1045 13.31,1046 15.232,1048 27.063,1049 13.104,1050 1.521,1051 6.344,1052 23.628,1053 3.455,1054 14.506,1055 16.669,1057 29.524,1058 14.289,1059 1.26,1060 4.075,1061 25.573,1062 2.978,1063 15.684,1064 17.93,1066 31.977,1067 15.461,1068 1,1069 2.975,1070 27.522,1071 2.084,1072 16.879,1073 19.331,1075 34.437,1076 16.644,1077 0.687,1078 2.136,1079 29.475,1080 1.687,1081 18.069,1082 20.631,1084 36.894,1085 17.824,1086 2014,1087 3093,1088 10.92,1089 21.989,1090 26.132,1091 25.328,1092 25.149,1093 25.318,1094 25.436,1095 33.272,1096 0.8,1097 73.322,1098 23.943,1099 5.233,1100 5.55,1101 6.92,1102 5.415,1103 5.328,1104 6.922,1105 0.8,1106 18.727,1107 5.278,1108 7.88,1109 1.537,1110 1.49,1111 1.479,1112 1.489,1113 1.496,1114 1.957,1115 0.047,1116 4.313,1117 1.408,1118 3.96,1119 3.994,1120 4.228,1121 3.909,1122 4.891,1123 3.874,1124 3.834,1125 3.869,1126 3.797,1127 3.782,1128 4.71,1129 3.759,1130 3.49,1131 3.543,1132 3.499,1133 3.426,1134 4.213,1135 3.36,1136 2.969,1137 3.045,1138 2.882,1139 2.807,1140 3.844,1141 2.806,1142 2.874,1143 3.009,1144 2.687,1145 2.735,1146 3.674,1147 2.715,1148 2.874,1149 3.009,1150 2.499,1151 2.618,1152 3.467,1153 2.57,1154 2.854,1155 2.925,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.444,1161 2.539,1162 2.435,1163 2.26,1164 3.322,1165 2.252,1166 0.263,1167 0.209,1168 0.419,1169 0.254,1170 0.196,1171 4.471,1172 0.231,1173 3.55,1174 0.024,1175 7.118,1176 0.688,1177 4.311,1178 0.193,1179 3.328,1180 3.922,1181 0.4,1182 11.699,1183 3.278,1184 1.887,1185 1.855,1186 2.01,1187 1.985,1188 1.208,1189 1.996,1190 1.777,1191 1.73,1192 1.987,1193 1.912,1194 1.063,1195 1.942,1196 1.289,1197 1.284,1198 1.417,1199 1.445,1200 0.521,1201 1.447,1202 1.118,1203 1.054,1204 1.417,1205 1.256,1206 0.469,1207 1.31,1208 0.934,1209 0.821,1210 1.308,1211 1.239,1212 0.469,1213 1.308,1214 0.934,1215 0.804,1216 1.248,1217 1.239,1218 0.321,1219 1.308,1220 0.886,1221 0.804,1222 1.181,1223 1.062,1224 0.218,1225 1.107,1226 0.785,1227 0.737,1228 0.918,1229 0.925,1230 0.051,1231 0.968,1232 3.555,1233 4.875,1234 2.398,1235 6.365,1236 4.595,1237 7.924,1238 6.605,1239 9.518,1241 6.525,1248 3.304,1253 0.118,1257 19.918,1258 45.894,1259 99.596,1260 108.351,1261 115.961,1262 118.716,1263 118.716,1264 18.543,1265 5.781,1266 24.92,1267 53.16,1268 11,1269 11.746,1270 3.585,1271 2.7,1272 26.099,1273 43,1274 36,1275 0.309,1276 130.767,1277 214.25,1278 310.831,1279 1882,1281 11.596,1282 0.725,1283 0.665,1284 11.95,1285 10.636,1286 7.555,1287 0.444,1288 0.366,1289 5.382,1290 6.981,1291 4.991,1292 4.275,1293 8.009,1294 6.216,1295 7.482,1296 0.312,1297 0.235,1298 8.059,1299 5.637,1300 5.157,1301 0.191,1302 0.113,1303 5.786,1304 3.055,1305 3.97,1306 0.124,1307 0.071,1308 4.8,1309 2.278,1310 2.897,1311 0.083,1312 0.04,1313 3.519,1314 1.401,1315 0.475,1316 50.686,1317 0.303,1318 16.276,1319 0.866,1320 82,1321 186.838,1322 109.558,1323 211.627,1324 294.09,1325 198,1326 92,1327 207.47,1328 114.981,1329 230.941,1330 330.65,1331 214,1332 5.347}
{0 CHEMBL206788,1 1.355,2 7.474,3 5.4,4 29.164,5 83.655,6 6.694,7 0.55,8 3.753,9 3.89,10 3.291,11 3.368,12 4.717,13 3.263,14 4.293,15 4.501,16 3.681,17 3.748,18 5.153,19 3.627,20 4.519,21 4.732,22 3.61,23 3.874,24 5.399,25 3.712,26 4.734,27 5.032,28 3.671,29 3.914,30 5.494,31 3.699,32 4.528,33 4.783,34 3.47,35 3.793,36 5.3,37 3.543,38 4.295,39 4.569,40 3.309,41 3.55,42 5.088,43 3.345,44 4.14,45 4.394,46 2.994,47 3.453,48 4.898,49 3.247,50 3.994,51 4.203,52 2.801,53 3.369,54 4.77,55 3.178,56 0.05,57 0.579,58 10.379,59 4.293,60 8.907,61 5.879,62 0.143,63 0.949,64 19.507,65 7.073,66 14.941,67 9.884,68 0.125,69 1.149,70 22.428,71 8.646,72 21.617,73 12.11,74 0.212,75 1.328,76 29.928,77 10.379,78 29.587,79 14.221,80 0.181,81 1.154,82 30.949,83 10.19,84 22.05,85 12.281,86 0.158,87 0.895,88 21.318,89 6.95,90 19.395,91 9.113,92 0.115,93 0.757,94 19.521,95 6.823,96 14.434,97 8.525,98 0.042,99 0.63,100 11.612,101 5.493,102 10.23,103 7.792,104 30,105 29,106 0.243,107 0.545,108 0.632,109 0.731,110 0.739,111 0.739,112 3.01,113 1.136,114 -5.29,115 -5.17,116 -4.84,119 39,120 5,122 1,123 1,138 4,139 1,140 1,142 1,147 1,155 1,163 10,166 2,169 1,171 3,172 11,176 3,181 3,183 7,187 2,192 4,194 10,198 3,203 3,205 5,209 3,217 5,227 9,238 12,249 9,252 398,253 12.041,254 12.041,255 12.041,256 12.041,257 12.041,258 10.758,259 18.569,260 6.965,261 12.349,262 9.869,263 9.869,264 9.869,265 9.869,266 9.869,267 7.914,268 25.98,269 3.29,270 10.4,271 4.003,272 2.322,273 1.838,274 1.288,275 1.239,276 1.239,277 3.656,282 1,283 1,284 288,285 3.464,287 52.277,288 65.858,295 1.186,296 8.408,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 39,308 142,309 4.475,310 3.55,311 7.118,312 4.311,313 3.328,314 3.952,315 0.4,316 11.699,317 3.278,318 4.277,319 3.188,320 6.416,321 3.959,322 2.976,323 3.816,325 9.811,326 2.929,327 3.747,328 2.606,329 5.443,330 3.331,331 2.455,332 3.009,334 7.221,335 2.145,336 3.153,337 2.049,338 4.847,339 2.897,340 1.921,341 2.306,343 5.197,344 1.861,345 2.921,346 1.568,347 4.382,348 2.488,349 1.515,350 2.082,352 3.991,353 1.47,354 2.637,355 1.313,356 3.716,357 2.205,358 1.258,359 1.682,361 3.075,362 1.178,363 2.333,364 1,365 3.466,366 2,367 1,368 1.292,370 2.304,371 1,372 2.167,373 0.702,374 3.282,375 1.478,376 0.687,377 1.01,379 1.68,380 0.534,381 1.242,382 0.138,383 2.886,384 0.919,385 -0.022,386 -0.027,388 -0.058,389 -0.021,390 0.635,391 -0.571,392 2.526,393 0.238,394 -0.738,395 -0.929,397 -1.874,398 -0.716,399 0.485,400 -0.843,401 2,402 0.044,403 -0.931,404 -1,406 -2,407 -0.906,408 0.057,409 -1,410 2,412 -1,413 -1,415 -2.381,416 -1,418 -1,419 2,421 -1,422 -1,424 -3,425 -1,427 -1,428 1.902,430 -1,431 -1.274,433 -3,434 -1,436 -1.043,437 1.533,438 -0.396,439 -1.286,440 -1.565,442 -3.84,443 -1.06,444 9.633,445 0.507,446 0.71,447 0.037,448 21.5,449 1.132,450 10.5,451 0.553,452 11,453 0.579,454 19.012,455 1.001,456 20.967,457 0.511,458 11.736,459 0.618,460 3.47,461 0.183,462 5.406,463 0.285,464 0.26,465 0.052,466 0.26,472 0.986,473 1.21,474 0.878,475 0.997,476 1.281,477 1.044,478 0.573,479 1.061,480 0.783,481 0.94,482 0.521,483 0.855,484 1.12,485 1.387,486 0.994,487 1.165,488 1.145,489 1.243,490 1.424,491 0.809,492 0.81,493 0.717,494 1.253,495 0.797,496 1.611,497 1.249,498 1.83,499 1.501,500 1.109,501 1.169,502 1.909,503 0.844,504 1.243,505 0.931,506 1.339,507 0.879,508 1.457,509 0.909,510 1.671,511 1.303,512 1.243,513 1.032,514 0.441,515 1.27,516 0.926,517 1.236,518 1.017,519 1.459,520 5.5,522 2.444,523 1.5,524 1.117,525 0.49,526 0.395,527 0.347,528 0.239,529 0.047,530 2915,531 5715,532 1.923,533 53.7,534 16,535 4,536 1,538 1,542 1.603,543 1.74,544 2.923,545 -0.353,550 55.552,551 1.355,552 3.035,553 3.52,554 4.07,555 4.119,556 4.119,557 2.234,558 3.682,559 4.223,560 3.091,561 528.533,562 7.192,563 5257.12,568 219.66,569 1.763,570 4.128,571 0.275,573 0.084,574 0.058,575 0.047,576 0.026,577 0.023,578 0.023,579 0.02,580 0.005,581 0.561,582 0.67,583 1,584 1.072,585 82.19,586 0.027,587 -0.044,588 0.074,589 0.04,590 -0.238,591 0.022,592 0.442,593 0.012,594 0.224,595 0.088,596 0.416,597 0.172,598 -0.03,599 -0.336,600 -0.13,601 -0.237,602 -0.085,603 -0.253,604 -0.076,605 0.176,606 0.15,607 0.2,608 -0.062,609 0.133,610 -0.205,611 -0.143,612 -0.274,613 -0.214,614 -0.081,615 -0.155,616 -0.285,617 0.236,618 -0.034,619 0.122,620 -0.127,621 0.074,622 -0.332,623 0.159,624 -0.313,625 -0.1,626 -0.154,627 -0.011,628 -0.148,629 -0.326,630 -0.307,631 -0.373,632 -0.306,633 -0.435,634 1.145,635 1.685,636 0.579,637 12.266,638 0.978,639 1.124,640 4.058,641 16.464,642 0.665,643 3.045,644 3.401,645 3.555,646 3.738,647 3.829,648 3.829,649 3.784,650 3.871,651 3.871,652 3.611,653 4.88,654 0.598,655 274.47,656 3.045,657 4.595,658 5.416,659 6.301,660 7.146,661 8.028,662 8.881,663 9.761,664 10.618,665 11.497,666 4.9,674 1,676 1,681 5,682 1,685 1,686 4,688 11,697 1,703 41,705 11,706 1,707 20,709 42,710 16,711 9,712 2,713 4,717 2,718 2,721 5,722 1,729 9,730 7,731 1,747 22,748 2,749 1,750 3,751 1,755 2,760 1,775 1,776 1,796 2,799 1,801 5,805 19,811 1,814 1,816 1,819 1,832 10.917,833 8.867,834 4.056,835 2.531,836 2.087,837 1.339,838 0.925,839 4.171,840 8.242,841 3.277,842 3.866,843 4.365,844 4.875,845 5.2,846 5.327,847 5.535,848 5.871,849 6.124,850 6.256,851 0.8,852 26,853 7.017,854 2.821,855 7.425,856 13.878,857 11.197,859 1.925,860 36.583,861 0.002,864 247.193,865 130.158,866 34.796,870 31.278,871 98.88,872 247.193,873 34.796,874 44.126,876 45.554,877 16.786,878 27.211,879 11.771,880 266.7,882 247.193,883 133.676,885 31.278,887 247.193,891 65.394,892 51.496,893 16.786,894 31.278,895 247.193,896 34.796,897 130.158,900 247.193,901 40.478,902 89.68,903 18.011,904 16.786,905 247.193,906 34.796,907 130.158,909 0.598,910 0.324,911 0.159,912 0.08,913 14,914 7,915 0.095,916 4,918 1,919 3.021,920 133.739,922 11,923 73.956,924 1,928 14.359,929 5.519,930 3.488,932 34.796,933 10.578,934 4.685,937 1.669,938 4.599,940 18.011,941 412.147,942 25.5,952 40.116,953 46.069,954 0.253,955 0.567,956 0.657,957 0.76,958 0.769,959 0.769,960 4.53,961 0.687,962 5.476,963 2.304,964 4.078,965 4.549,966 0.278,967 6.333,968 3.988,969 5.769,970 -0.022,971 7.084,972 1.68,973 4.007,974 4.443,976 7.603,977 3.936,978 7.097,979 -0.738,980 8.809,981 -0.058,982 5.79,983 6.709,984 0.05,985 10.562,986 5.652,987 8.463,988 -0.931,989 10.603,990 -1.874,991 6.479,992 7.358,994 12.589,995 6.363,996 9.859,997 -1,998 12.44,999 -2,1000 7.848,1001 9.152,1002 0.008,1003 15.172,1004 7.692,1005 11.276,1006 -1,1007 14.305,1008 -2.381,1009 8.83,1010 10.146,1012 17.459,1013 8.687,1014 12.708,1015 -1,1016 16.191,1017 -3,1018 10.066,1019 11.728,1020 0.001,1021 19.938,1022 9.9,1023 3.328,1024 -1.286,1025 18.091,1026 -3,1027 11.164,1028 12.894,1030 22.319,1031 10.999,1032 2.976,1033 11.699,1034 20.001,1035 -3.84,1036 12.358,1037 14.371,1039 24.77,1040 12.177,1041 2.455,1042 9.811,1043 21.92,1044 3.952,1045 13.504,1046 15.627,1048 27.189,1049 13.317,1050 1.921,1051 7.221,1052 23.846,1053 3.816,1054 14.687,1055 17.05,1057 29.634,1058 14.487,1059 1.515,1060 5.197,1061 25.776,1062 3.009,1063 15.854,1064 18.353,1066 32.071,1067 15.644,1068 1.258,1069 3.991,1070 27.711,1071 2.306,1072 17.037,1073 19.749,1075 34.517,1076 16.813,1077 1,1078 3.075,1079 29.649,1080 2.082,1081 18.215,1082 21.078,1084 36.962,1085 17.979,1086 3041,1087 4377,1088 12.425,1089 27.273,1090 31.02,1091 30.285,1092 30.941,1093 30.139,1094 30.28,1095 38.299,1096 0.8,1097 89.956,1098 28.79,1099 5.267,1100 5.55,1101 6.8,1102 5.42,1103 5.328,1104 6.952,1105 0.8,1106 18.73,1107 5.278,1108 11.65,1109 1.551,1110 1.514,1111 1.547,1112 1.507,1113 1.514,1114 1.915,1115 0.04,1116 4.498,1117 1.44,1118 3.99,1119 4.023,1120 4.229,1121 3.934,1122 4.886,1123 3.912,1124 3.861,1125 3.895,1126 3.86,1127 3.821,1128 4.699,1129 3.785,1130 3.516,1131 3.584,1132 3.5,1133 3.431,1134 4.214,1135 3.371,1136 3.472,1137 3.529,1138 3.313,1139 3.364,1140 4.14,1141 3.335,1142 2.962,1143 3.039,1144 2.875,1145 2.799,1146 3.836,1147 2.797,1148 2.874,1149 3.009,1150 2.584,1151 2.624,1152 3.531,1153 2.606,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.874,1161 3.009,1162 2.499,1163 2.618,1164 3.467,1165 2.57,1166 0.224,1167 0.178,1168 0.356,1169 0.216,1170 0.166,1171 4.475,1172 0.198,1173 3.55,1174 0.02,1175 7.118,1176 0.585,1177 4.311,1178 0.164,1179 3.328,1180 3.952,1181 0.4,1182 11.699,1183 3.278,1184 1.94,1185 1.91,1186 2.067,1187 2.031,1188 1.259,1189 2.044,1190 1.777,1191 1.73,1192 1.988,1193 1.914,1194 1.208,1195 1.943,1196 1.528,1197 1.46,1198 1.801,1199 1.704,1200 0.903,1201 1.742,1202 1.289,1203 1.284,1204 1.417,1205 1.444,1206 0.521,1207 1.447,1208 1.118,1209 1.053,1210 1.417,1211 1.256,1212 0.469,1213 1.31,1214 0.934,1215 0.804,1216 1.417,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.306,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.246,1229 1.239,1230 0.319,1231 1.308,1232 3.714,1233 5.056,1234 2.398,1235 6.569,1236 4.595,1237 8.159,1238 6.605,1239 9.786,1241 10.988,1248 3.454,1251 0.505,1253 0.105,1257 24.498,1258 55.552,1259 124.44,1260 144.301,1261 166.866,1262 168.866,1263 168.866,1264 27.811,1265 6.155,1266 24.92,1267 53.16,1268 11,1269 12.038,1270 3.585,1271 2.7,1272 33.651,1273 56,1274 41,1275 0.308,1276 159.544,1277 266.15,1278 381.047,1279 3069,1281 14.044,1282 0.739,1283 0.691,1284 14.397,1285 13.136,1286 8.876,1287 0.444,1288 0.379,1289 6.742,1290 8.305,1291 6.213,1292 5.352,1293 9.33,1294 7.576,1295 8.93,1296 0.308,1297 0.242,1298 9.507,1299 7.013,1300 6.226,1301 0.183,1302 0.113,1303 6.855,1304 3.855,1305 4.91,1306 0.12,1307 0.07,1308 5.73,1309 2.855,1310 3.54,1311 0.079,1312 0.039,1313 4.175,1314 1.749,1315 0.471,1316 58.614,1317 0.284,1318 18.842,1319 0.873,1320 98,1321 204.838,1322 125.558,1323 230.869,1324 323.48,1325 216,1326 112,1327 232.47,1328 135.147,1329 257.753,1330 371.4,1331 239,1332 6.357}
{0 CHEMBL206789,1 1.378,2 7.389,3 5.179,4 26.818,5 79.547,6 6.854,7 0.579,8 3.683,9 3.818,10 3.247,11 3.306,12 4.667,13 3.203,14 4.212,15 4.42,16 3.645,17 3.677,18 5.091,19 3.563,20 4.391,21 4.58,22 3.572,23 3.797,24 5.327,25 3.648,26 4.658,27 4.951,28 3.564,29 3.836,30 5.433,31 3.606,32 4.451,33 4.739,34 3.335,35 3.646,36 5.156,37 3.369,38 3.988,39 4.234,40 3.129,41 3.324,42 4.848,43 3.15,44 3.933,45 4.169,46 2.841,47 3.292,48 4.707,49 3.103,50 3.882,51 4.096,52 2.706,53 3.254,54 4.67,55 3.068,56 0.045,57 0.539,58 9.481,59 3.935,60 8.316,61 5.353,62 0.136,63 0.88,64 18.055,65 6.478,66 13.871,67 8.986,68 0.108,69 1.041,70 19.496,71 7.56,72 19.23,73 10.531,74 0.206,75 1.247,76 28.038,77 9.665,78 28.94,79 13.142,80 0.167,81 1.04,82 29.994,83 9.807,84 19.812,85 11.495,86 0.142,87 0.698,88 16.863,89 5.066,90 15.204,91 6.426,92 0.078,93 0.613,94 14.397,95 5.444,96 10.805,97 7.034,98 0.037,99 0.559,100 10.286,101 4.869,102 9.3,103 6.908,104 27,105 28,106 0.252,107 0.573,108 0.691,109 0.724,110 0.753,111 0.753,112 2.96,113 1.113,114 -5.04,115 -4.94,116 -4.63,119 39.5,120 5,123 1,138 3,139 2,140 1,142 1,147 1,155 1,163 9,166 2,169 1,171 3,172 10,176 3,181 3,183 7,187 2,192 3,194 7,198 3,203 3,205 3,209 2,217 4,227 9,238 11,249 6,252 330,253 11.334,254 11.334,255 11.334,256 11.334,257 11.334,258 9.921,259 17.002,260 6.428,261 11.642,262 9.342,263 9.342,264 9.342,265 9.342,266 9.342,267 7.287,268 25.208,269 3.037,270 9.874,271 3.87,272 2.108,273 1.462,274 1.284,275 1.126,276 1.126,277 3.603,282 1,283 1,284 271,285 3.082,287 50.191,288 61.343,295 1.167,296 7.628,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 37,308 133,309 4.476,310 3.55,311 7.118,312 4.311,313 3.328,314 4.012,315 0.4,316 11.699,317 3.278,318 4.319,319 3.153,320 6.35,321 3.948,322 2.965,323 3.881,325 9.485,326 2.919,327 3.764,328 2.607,329 5.451,330 3.338,331 2.459,332 3.029,334 7.227,335 2.154,336 3.252,337 2.066,338 4.951,339 2.868,340 1.903,341 2.499,343 5.499,344 1.82,345 2.867,346 1.532,347 4.394,348 2.414,349 1.414,350 2.029,352 3.996,353 1.414,354 2.678,355 1.427,356 3.868,357 2.281,358 1.343,359 1.729,361 3.179,362 1.246,363 2.168,364 0.775,365 3.288,366 1.482,367 0.691,368 1.012,370 1.691,371 0.537,372 1.527,373 0.67,374 3.021,375 1.312,376 0.347,377 0.392,379 0.817,380 0.333,381 1.102,382 -0.017,383 2.584,384 0.756,385 -0.213,386 -0.269,388 -0.513,389 -0.206,390 0.574,391 -0.508,392 2.359,393 0.216,394 -0.742,395 -0.922,397 -1.95,398 -0.709,399 0.064,400 -0.954,401 2.156,403 -1,404 -1,406 -3,407 -1,409 -1,410 2,412 -1,413 -1,415 -3,416 -1,418 -1,419 2,420 -0.331,421 -1.258,422 -1.477,424 -3.317,425 -1.047,426 -0.03,427 -1.113,428 1.488,429 -0.414,430 -1.365,431 -1.663,433 -3.885,434 -1.309,435 -0.139,436 -1.28,437 1.302,438 -0.421,439 -1.414,440 -1.925,442 -4,443 -1.414,444 9.133,445 0.507,446 0.71,447 0.039,448 21,449 1.167,450 10.5,451 0.583,452 10.5,453 0.583,454 17.303,455 0.961,456 19.667,457 0.518,458 11.249,459 0.625,460 3.611,461 0.201,462 4.765,463 0.265,464 0.274,465 0.055,466 0.274,472 0.981,473 1.194,474 0.857,475 0.972,476 1.271,477 1.018,478 0.552,479 1.01,480 0.738,481 0.885,482 0.484,483 0.78,484 1.196,485 1.481,486 1.049,487 1.235,488 1.168,489 1.323,490 1.514,491 0.865,492 0.892,493 0.793,494 1.439,495 0.903,496 1.299,497 1.109,498 1.704,499 1.381,500 0.815,501 0.988,502 2.528,503 0.804,504 1.573,505 1.025,506 1.636,507 0.879,508 1.088,509 0.962,510 1.383,511 1.227,512 1.095,513 1.11,514 0.401,515 1.194,516 0.861,517 1.164,518 0.881,519 1.389,520 5.5,522 2.667,523 1.438,524 1.148,525 0.365,526 0.395,527 0.306,528 0.165,529 0.047,530 2548,531 5174,532 1.919,533 52.6,534 15,535 3,536 1,538 1,542 1.585,543 1.728,544 2.91,545 -0.334,550 52.379,551 1.378,552 3.14,553 3.786,554 3.964,555 4.122,556 4.122,557 2.261,558 3.281,559 4.146,560 3.06,561 468.256,562 7.025,563 4446.82,568 199.421,569 1.788,570 4.043,571 0.289,573 0.095,574 0.058,575 0.057,576 0.023,577 0.026,578 0.024,579 0.015,580 0.008,581 0.595,582 0.83,583 1,584 0.977,585 76.26,586 0.021,587 -0.045,588 0.074,589 0.042,590 -0.25,591 0.023,592 0.468,593 0.052,594 0.265,595 0.134,596 0.447,597 0.233,598 -0.074,599 -0.408,600 -0.192,601 -0.312,602 -0.094,603 -0.34,604 -0.161,605 0.125,606 0.066,607 0.123,608 -0.22,609 0.024,610 -0.053,611 -0.068,612 -0.129,613 -0.084,614 0.138,615 0.022,616 -0.538,617 0.381,618 -0.196,619 0.106,620 -0.276,621 0.072,622 -0.257,623 0.058,624 -0.282,625 -0.144,626 -0.161,627 -0.092,628 -0.115,629 -0.278,630 -0.261,631 -0.324,632 -0.184,633 -0.381,634 1.141,635 1.655,636 0.611,637 11.222,638 0.98,639 1.122,640 3.808,641 14.503,642 0.671,643 2.996,644 3.367,645 3.526,646 3.664,647 3.761,648 3.761,649 3.689,650 3.807,651 3.738,652 3.497,653 4.744,654 0.605,655 260.44,656 2.996,657 4.554,658 5.38,659 6.263,660 7.111,661 7.991,662 8.845,663 9.723,664 10.581,665 11.458,666 5.3,674 1,676 1,681 4,682 1,685 1,686 5,688 11,697 1,703 38,705 11,706 1,707 19,709 39,710 15,711 9,712 3,713 3,717 2,718 2,721 5,722 1,729 9,730 6,747 20,748 2,749 1,750 3,751 1,755 2,760 1,775 1,776 1,796 2,799 1,801 5,805 18,811 1,816 1,819 1,832 10.417,833 8.45,834 3.806,835 2.232,836 2.035,837 1.337,838 0.935,839 3.648,840 8.08,841 3.239,842 3.866,843 4.365,844 4.852,845 5.177,846 5.316,847 5.448,848 5.852,849 6.107,850 6.241,851 0.8,852 25,853 6.638,854 2.667,855 7.44,856 13.08,857 10.497,859 1.94,860 34.917,861 0.003,864 223.651,865 123.867,866 34.796,870 31.278,871 92.589,872 223.651,873 34.796,874 44.126,876 36.078,877 16.786,878 30.396,879 11.771,880 243.158,882 223.651,883 127.386,885 31.278,887 223.651,891 65.394,892 45.206,893 16.786,894 31.278,895 223.651,896 34.796,897 123.867,900 223.651,901 43.663,902 80.204,903 18.011,904 16.786,905 223.651,906 34.796,907 123.867,909 0.607,910 0.334,911 0.15,912 0.075,913 14,914 7,915 0.077,916 3,918 1,919 2.932,920 124.11,922 11,923 68.304,924 1,928 13.381,929 4.907,930 3.053,932 34.796,933 8.43,934 4.655,937 1.664,938 5.83,940 18.011,941 382.314,942 24.5,952 37.232,953 42.653,954 0.263,955 0.598,956 0.721,957 0.755,958 0.785,959 0.785,960 4.497,961 0.347,962 5.451,963 1.691,964 4.043,965 4.549,966 0.278,967 6.312,968 3.95,969 5.756,970 -0.213,971 7.067,972 0.817,973 4.007,974 4.527,976 7.579,977 3.936,978 7.1,979 -0.742,980 8.797,981 -0.513,982 5.771,983 6.756,984 0.05,985 10.533,986 5.63,987 8.478,988 -1,989 10.593,990 -1.95,991 6.479,992 7.468,994 12.545,995 6.363,996 9.883,997 -1,998 12.429,999 -3,1000 7.836,1001 9.233,1002 0.008,1003 15.132,1004 7.678,1005 11.307,1006 -1.258,1007 14.292,1008 -3,1009 8.825,1010 10.275,1012 17.41,1013 8.683,1014 12.745,1015 -1.365,1016 16.175,1017 -3.317,1018 10.056,1019 11.843,1020 0.001,1021 19.894,1022 9.889,1023 3.328,1024 -1.414,1025 18.073,1026 -3.885,1027 11.157,1028 13.046,1030 22.273,1031 10.992,1032 2.965,1033 11.699,1034 19.982,1035 -4,1036 12.349,1037 14.52,1039 24.728,1040 12.168,1041 2.459,1042 9.485,1043 21.899,1044 4.012,1045 13.496,1046 15.805,1048 27.149,1049 13.31,1050 1.903,1051 7.227,1052 23.823,1053 3.881,1054 14.678,1055 17.233,1057 29.598,1058 14.478,1059 1.414,1060 5.499,1061 25.753,1062 3.029,1063 15.846,1064 18.561,1066 32.037,1067 15.636,1068 1.343,1069 3.996,1070 27.687,1071 2.499,1072 17.029,1073 19.964,1075 34.488,1076 16.805,1077 0.691,1078 3.179,1079 29.626,1080 2.029,1081 18.207,1082 21.315,1084 36.935,1085 17.972,1086 2656,1087 3897,1088 11.731,1089 25.512,1090 29.471,1091 29.167,1092 29.726,1093 28.75,1094 28.902,1095 37.169,1096 0.8,1097 87.187,1098 27.4,1099 5.251,1100 5.55,1101 6.655,1102 5.419,1103 5.328,1104 7.012,1105 0.8,1106 18.731,1107 5.278,1108 11.121,1109 1.551,1110 1.535,1111 1.565,1112 1.513,1113 1.521,1114 1.956,1115 0.042,1116 4.589,1117 1.442,1118 3.988,1119 4.021,1120 4.229,1121 3.935,1122 4.885,1123 3.913,1124 3.861,1125 3.894,1126 3.864,1127 3.824,1128 4.695,1129 3.787,1130 3.498,1131 3.552,1132 3.5,1133 3.429,1134 4.216,1135 3.365,1136 3.187,1137 3.267,1138 3.019,1139 3.05,1140 3.934,1141 3.028,1142 3.156,1143 3.248,1144 2.972,1145 2.997,1146 3.905,1147 2.975,1148 2.874,1149 3.009,1150 2.62,1151 2.618,1152 3.606,1153 2.584,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.833,1161 2.937,1162 2.499,1163 2.595,1164 3.467,1165 2.57,1166 0.236,1167 0.187,1168 0.375,1169 0.227,1170 0.175,1171 4.476,1172 0.211,1173 3.55,1174 0.021,1175 7.118,1176 0.616,1177 4.311,1178 0.173,1179 3.328,1180 4.012,1181 0.4,1182 11.699,1183 3.278,1184 1.939,1185 1.912,1186 2.057,1187 2.026,1188 1.208,1189 2.038,1190 1.777,1191 1.73,1192 1.988,1193 1.914,1194 1.197,1195 1.942,1196 1.323,1197 1.303,1198 1.567,1199 1.508,1200 0.64,1201 1.528,1202 1.214,1203 1.142,1204 1.544,1205 1.418,1206 0.599,1207 1.47,1208 1.165,1209 1.104,1210 1.417,1211 1.337,1212 0.505,1213 1.368,1214 1.082,1215 1,1216 1.417,1217 1.25,1218 0.469,1219 1.309,1220 0.934,1221 0.804,1222 1.281,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.222,1229 1.239,1230 0.285,1231 1.308,1232 3.664,1233 5.017,1234 2.398,1235 6.541,1236 4.595,1237 8.138,1238 6.605,1239 9.771,1241 10.816,1248 3.413,1253 0.109,1257 22.971,1258 52.379,1259 119.308,1260 143.872,1261 150.627,1262 156.627,1263 156.627,1264 24.258,1265 6.045,1266 24.92,1267 53.16,1268 11,1269 12,1270 3.585,1271 2.7,1272 31.073,1273 52,1274 36,1275 0.31,1276 149.951,1277 248.85,1278 357.641,1279 2618,1281 13.336,1282 0.741,1283 0.693,1284 13.69,1285 12.481,1286 8.376,1287 0.441,1288 0.371,1289 6.215,1290 7.805,1291 5.685,1292 4.894,1293 8.83,1294 7.049,1295 8.505,1296 0.304,1297 0.233,1298 9.082,1299 6.518,1300 6.278,1301 0.19,1302 0.117,1303 6.906,1304 3.877,1305 4.529,1306 0.119,1307 0.069,1308 5.348,1309 2.627,1310 3.25,1311 0.077,1312 0.039,1313 3.899,1314 1.631,1315 0.475,1316 55.614,1317 0.292,1318 17.961,1319 0.874,1320 94,1321 202.838,1322 121.558,1323 228.772,1324 320.15,1325 214,1326 108,1327 229.47,1328 131.147,1329 255.466,1330 366.93,1331 236,1332 6.585}
{0 CHEMBL206878,1 1.391,2 8.05,3 4.556,4 20.761,5 79.471,6 7.01,7 0.727,8 3.723,9 3.843,10 3.253,11 3.3,12 4.791,13 3.263,14 4.236,15 4.408,16 3.633,17 3.696,18 5.247,19 3.639,20 4.457,21 4.648,22 3.601,23 3.816,24 5.423,25 3.714,26 4.635,27 4.916,28 3.497,29 3.734,30 5.505,31 3.61,32 4.388,33 4.624,34 3.298,35 3.471,36 5.312,37 3.382,38 4.048,39 4.275,40 3.145,41 3.27,42 5.031,43 3.207,44 3.989,45 4.223,46 3.032,47 3.298,48 4.856,49 3.19,50 3.897,51 4.087,52 2.886,53 3.328,54 4.761,55 3.176,56 0.033,57 0.525,58 8.194,59 3.559,60 8.292,61 4.783,62 0.207,63 0.846,64 14.682,65 6.045,66 18.504,67 8.3,68 0.101,69 1.059,70 18.406,71 7.331,72 19.594,73 10.294,74 0.218,75 1.176,76 24.2,77 8.189,78 32.705,79 11.973,80 0.27,81 0.875,82 19.129,83 6.116,84 28.494,85 8.237,86 0.173,87 0.683,88 13.101,89 3.956,90 19.766,91 5.606,92 0.118,93 0.605,94 12.138,95 4.755,96 14.872,97 6.552,98 0.046,99 0.575,100 10.247,101 4.807,102 10.136,103 6.596,104 11,105 32,106 0.249,107 0.568,108 0.645,109 0.719,110 0.764,111 0.783,112 3.058,113 0.92,114 -4.94,115 -4.84,116 -4.54,119 44.7,120 3,123 1,138 7,139 2,140 1,142 1,147 1,155 1,163 12,165 1,166 1,169 2,171 2,172 14,176 4,181 3,183 9,187 7,192 4,194 5,198 6,203 4,205 2,209 6,217 2,221 2,227 9,238 12,249 10,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.353,259 15.55,260 7.685,261 13.307,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.149,268 25.3,269 3.657,270 11.093,271 3.856,272 2.077,273 1.643,274 1.231,275 0.981,276 0.876,277 3.734,282 1,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 10.087,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 42,308 161,309 4.513,310 3.55,311 7.118,312 4.317,313 3.328,314 4.434,315 0.4,316 11.7,317 3.293,318 4.453,319 3.101,320 6.514,321 4.03,322 3.041,323 3.91,325 10.24,326 3.009,327 3.796,328 2.595,329 5.495,330 3.44,331 2.487,332 3.085,334 7.378,335 2.367,336 3.435,337 2.065,338 5.089,339 2.994,340 2.012,341 2.804,343 5.973,344 1.974,345 3.118,346 1.618,347 4.421,348 2.618,349 1.618,350 2.427,352 4.118,353 1.618,354 2.775,355 1.446,356 4.124,357 2.349,358 1.377,359 1.907,361 3.709,362 1.336,363 2.7,364 1.267,365 3.591,366 2.261,367 1.263,368 1.761,370 2.821,371 1.259,372 2.328,373 0.918,374 3.342,375 1.864,376 0.875,377 1.252,379 2.073,380 0.864,381 2.165,382 0.696,383 3.268,384 1.646,385 0.683,386 1.007,388 1.667,389 0.656,390 1.307,391 0.085,392 2.854,393 0.925,394 -0.037,395 -0.047,397 -0.096,398 -0.035,399 0.882,400 -0.576,401 2.536,402 0.382,403 -0.618,404 -0.904,406 -1.478,407 -0.618,408 0.735,409 -0.618,410 2.312,411 0.311,412 -0.664,413 -0.927,415 -1.753,416 -0.647,417 0.402,418 -0.934,419 2,421 -1,422 -1,424 -2.599,425 -1,426 0.059,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.051,439 -1.035,440 -1.408,442 -3,443 -1.017,444 9.633,445 0.482,446 0.634,447 0.032,448 27,449 1.35,450 14.5,451 0.725,452 12.5,453 0.625,454 15.026,455 0.751,456 20.967,457 0.552,458 16.704,459 0.835,460 5.083,461 0.254,462 4.455,463 0.223,464 0.156,465 0.052,466 0.26,472 0.907,473 1.2,474 0.84,475 1.05,476 1.018,477 0.953,478 0.635,479 0.918,480 0.741,481 0.87,482 0.591,483 0.832,484 0.899,485 1.407,486 1.135,487 1.291,488 1.012,489 1.244,490 1.141,491 0.918,492 0.905,493 0.86,494 1.099,495 0.843,496 2.502,497 1.011,498 1.187,499 0.872,500 1.709,501 0.908,502 2.061,503 0.835,504 1.169,505 0.769,506 1.528,507 0.836,508 1.246,509 0.705,510 0.925,511 0.758,512 1.072,513 0.805,514 0.524,515 1.142,516 1.261,517 1.34,518 0.906,519 1.377,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 8025,532 2.065,533 47.4,534 9,535 7,536 1,538 1,542 1.617,543 1.92,544 3.011,545 -0.37,550 52.876,551 1.391,552 3.171,553 3.605,554 4.017,555 4.267,556 4.372,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,565 1,568 199.421,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.83,583 1,584 0.843,585 88.095,586 -0.003,587 -0.085,588 0.059,589 -0.028,590 -0.134,591 0.015,592 0.387,593 0.141,594 0.201,595 0.133,596 0.357,597 0.138,598 -0.057,599 -0.357,600 -0.206,601 -0.312,602 -0.122,603 -0.283,604 -0.021,605 0.07,606 0.112,607 0.064,608 0.026,609 0.104,610 -0.326,611 -0.048,612 -0.107,613 0.044,614 -0.19,615 -0.008,616 -0.327,617 0.276,618 -0.129,619 0.115,620 -0.189,621 0.042,622 -0.148,623 0.256,624 0.053,625 0.236,626 -0.028,627 0.177,628 -0.121,629 -0.169,630 -0.385,631 -0.292,632 -0.256,633 -0.356,634 1.262,635 2.022,636 0.75,637 12.82,638 0.989,639 1.119,640 3.709,641 13.755,642 0.673,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.631,655 266.37,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 5.3,674 1,676 1,680 2,681 8,682 1,684 1,686 3,688 16,697 1,703 38,705 16,706 2,707 22,709 40,710 17,711 13,712 3,713 7,717 3,718 4,721 3,722 1,729 13,730 4,744 1,747 18,748 3,749 1,750 3,755 2,760 0.667,761 1,765 1,775 1,776 2,780 1,796 2,801 3,805 20,811 1,816 1,825 2.6,830 1,832 10.417,833 7.783,834 4.222,835 2.232,836 3.191,837 1.475,838 0.974,839 3.168,840 9.909,841 3.434,842 4.09,843 4.695,844 5.302,845 5.786,846 6.047,847 6.415,848 6.857,849 7.26,850 7.273,851 1,852 29,853 7.355,854 3.065,855 7.529,856 14.29,857 11.695,859 2.029,860 40.583,861 0.001,864 200.109,865 119.799,866 34.796,868 9.507,871 119.799,872 209.616,873 34.796,874 26.476,876 78.073,877 16.786,878 42.769,879 11.771,880 188.338,882 200.109,883 154.596,884 9.507,887 200.109,888 9.507,891 51.834,892 85.976,893 16.786,895 200.109,896 44.304,897 119.799,900 200.109,901 15.251,902 104.549,903 18.011,904 26.293,905 200.109,906 44.304,907 119.799,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.075,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 77.684,928 13.042,929 4.858,930 2.674,931 2.352,932 44.304,933 16.117,934 4.506,936 5.522,938 2.483,940 18.011,941 364.212,942 30,952 37.6,953 42.528,954 0.265,955 0.604,956 0.687,957 0.765,958 0.813,959 0.833,960 4.673,961 0.875,962 5.572,963 2.821,964 4.174,965 4.775,966 0.278,967 6.431,968 4.138,969 5.922,970 0.683,971 7.171,972 2.073,973 4.007,974 4.663,976 7.662,977 3.964,978 7.258,979 -0.037,980 8.887,981 1.667,982 5.878,983 7.053,984 0.05,985 10.652,986 5.81,987 8.633,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.759,994 12.663,995 6.438,996 10.04,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.63,1002 0.008,1003 15.258,1004 7.835,1005 11.469,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.728,1012 17.538,1013 8.787,1014 12.914,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 12.374,1020 0.001,1021 20.021,1022 10.031,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.666,1030 22.397,1031 11.112,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 15.212,1039 24.848,1040 12.304,1041 2.487,1042 10.24,1043 21.974,1044 4.434,1045 13.565,1046 16.599,1048 27.263,1049 13.438,1050 2.012,1051 7.378,1052 23.898,1053 3.91,1054 14.751,1055 18.103,1057 29.706,1058 14.615,1059 1.618,1060 5.973,1061 25.827,1062 3.085,1063 15.916,1064 19.536,1066 32.137,1067 15.771,1068 1.377,1069 4.118,1070 27.76,1071 2.804,1072 17.099,1073 21.023,1075 34.58,1076 16.945,1077 1.263,1078 3.709,1079 29.697,1080 2.427,1081 18.275,1082 22.479,1084 37.02,1085 18.112,1086 3656,1087 5486,1088 14.504,1089 25.557,1090 34.023,1091 33.335,1092 33.563,1093 33.366,1094 33.37,1095 45.173,1096 0.8,1097 99.357,1098 32.753,1099 5.288,1100 5.55,1101 6.807,1102 5.362,1103 5.328,1104 7.434,1105 0.8,1106 18.733,1107 5.293,1108 9.403,1109 1.547,1110 1.515,1111 1.526,1112 1.517,1113 1.517,1114 2.053,1115 0.036,1116 4.516,1117 1.489,1118 4.095,1119 4.118,1120 4.052,1121 4.043,1122 5.172,1123 4.041,1124 3.913,1125 3.942,1126 3.864,1127 3.757,1128 4.887,1129 3.774,1130 3.545,1131 3.6,1132 3.421,1133 3.401,1134 4.349,1135 3.397,1136 3.44,1137 3.485,1138 3.325,1139 3.278,1140 4.268,1141 3.294,1142 3.083,1143 3.139,1144 2.981,1145 2.969,1146 3.956,1147 2.965,1148 2.874,1149 3.009,1150 2.558,1151 2.618,1152 3.711,1153 2.57,1154 2.874,1155 3.009,1156 2.52,1157 2.618,1158 3.532,1159 2.57,1160 2.713,1161 2.803,1162 2.499,1163 2.578,1164 3.467,1165 2.564,1166 0.205,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.513,1172 0.202,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.317,1178 0.15,1179 3.328,1180 4.434,1181 0.4,1182 11.7,1183 3.293,1184 2.07,1185 2.05,1186 2.151,1187 2.131,1188 1.285,1189 2.138,1190 1.776,1191 1.728,1192 1.99,1193 1.918,1194 1.205,1195 1.944,1196 1.496,1197 1.455,1198 1.67,1199 1.67,1200 0.703,1201 1.655,1202 1.252,1203 1.223,1204 1.417,1205 1.527,1206 0.469,1207 1.497,1208 1.116,1209 1.064,1210 1.417,1211 1.345,1212 0.469,1213 1.34,1214 0.968,1215 0.923,1216 1.386,1217 1.239,1218 0.403,1219 1.308,1220 0.934,1221 0.804,1222 1.317,1223 1.239,1224 0.334,1225 1.308,1226 0.934,1227 0.804,1228 1.152,1229 1.14,1230 0.136,1231 1.154,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.353,1248 3.262,1253 -0.012,1257 23.972,1258 52.876,1259 120.486,1260 136.976,1261 152.627,1262 162.137,1263 166.137,1264 23.666,1265 6.718,1266 38.06,1267 38.06,1268 17,1269 12.226,1270 4.087,1271 3.17,1272 29.997,1273 61,1274 46,1275 0.249,1276 148.753,1277 245.19,1278 354.718,1279 6698,1281 14.165,1282 0.708,1283 0.599,1284 14.165,1285 11.974,1286 9.538,1287 0.434,1288 0.307,1289 6.685,1290 9.295,1291 6.369,1292 5.398,1293 9.538,1294 6.747,1295 9.377,1296 0.293,1297 0.186,1298 9.377,1299 5.94,1300 7.125,1301 0.178,1302 0.083,1303 7.125,1304 3.304,1305 5.868,1306 0.115,1307 0.042,1308 5.868,1309 2.125,1310 4.617,1311 0.076,1312 0.023,1313 4.617,1314 1.38,1315 0.384,1316 58.952,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 265.714,1322 115.927,1323 263.868,1324 373.49,1325 248,1326 126,1327 290.434,1328 134.206,1329 298.708,1330 434.06,1331 279,1332 7.097}
{0 CHEMBL206921,1 1.531,2 11.618,3 8.148,4 66.387,5 129.824,6 7.146,7 0.459,8 4.269,9 4.396,10 3.792,11 3.795,12 5.311,13 3.764,14 4.862,15 5.051,16 4.206,17 4.2,18 6.223,19 4.145,20 5.111,21 5.338,22 4.177,23 4.353,24 6.043,25 4.249,26 5.275,27 5.542,28 4.192,29 4.35,30 6.235,31 4.24,32 5.25,33 5.521,34 4.174,35 4.309,36 6.278,37 4.216,38 5.18,39 5.424,40 4.192,41 4.332,42 6.111,43 4.243,44 5.212,45 5.45,46 4.217,47 4.337,48 6.269,49 4.264,50 5.187,51 5.423,52 4.264,53 4.283,54 6.324,55 4.219,56 0.082,57 1.141,58 14.279,59 6.673,60 18.644,61 8.606,62 0.803,63 2.183,64 29.173,65 11.146,66 139.718,67 14.954,68 0.301,69 2.162,70 37.13,71 14.412,72 42.49,73 20,74 0.543,75 2.441,76 46.727,77 15.711,78 77.943,79 22.178,80 0.98,81 2.405,82 47.324,83 14.713,84 112.982,85 20.199,86 0.521,87 2.184,88 41.943,89 14.712,90 70.847,91 20.122,92 0.733,93 2.433,94 44.277,95 14.442,96 109.355,97 18.948,98 0.697,99 2.445,100 42.757,101 13.941,102 99.67,103 18.784,104 27,105 52,106 0.244,107 0.528,108 0.708,109 0.805,110 0.856,111 0.861,112 3.561,113 0.969,114 -6.8,115 -6.61,116 -6.12,119 40.9,120 2,121 5,122 1,125 3,131 1,138 8,139 4,140 1,142 1,149 1,159 1,163 18,166 4,169 1,171 3,172 19,175 1,176 5,179 1,181 3,183 12,186 1,187 6,192 2,194 5,198 9,201 1,205 9,209 11,217 14,221 12,226 2,227 14,231 9,236 4,238 10,242 4,247 4,249 8,252 2390,253 22.557,254 22.557,255 22.557,256 22.557,257 22.557,258 20.393,259 26.181,260 13.37,261 22.993,262 18.307,263 18.307,264 18.307,265 18.307,266 18.307,267 15.158,268 39.381,269 6.416,270 19.106,271 4.514,272 2.733,273 1.602,274 0.989,275 0.671,276 0.64,277 4.252,283 1,284 842,285 4.123,287 102.911,288 384.209,295 1.766,296 42.044,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 75,308 395,309 4.537,310 4.471,311 7.248,312 4.259,313 3.377,314 4,315 3.825,316 12.241,317 3.033,318 4.34,319 3.176,320 6.351,321 3.964,322 2.981,323 3.995,324 0.995,325 9.496,326 2.933,327 4.105,328 3.11,329 5.805,330 3.748,331 2.791,332 3.715,333 0.4,334 8.319,335 2.676,336 3.739,337 2.816,338 5.624,339 3.576,340 2.605,341 2.884,342 0.359,343 7.688,344 2.537,345 3.569,346 2.615,347 5.455,348 3.36,349 2.415,350 2.681,352 7.164,353 2.222,354 3.38,355 2.397,356 5.163,357 3.118,358 2.167,359 2.566,361 6.336,362 2.036,363 3.188,364 2.151,365 4.934,366 2.903,367 1.941,368 2.322,370 5.559,371 1.858,372 2.978,373 1.851,374 4.63,375 2.621,376 1.647,377 2.134,379 4.77,380 1.6,381 2.866,382 1.545,383 4.093,384 2.461,385 1.463,386 2.028,388 3.364,389 1.459,390 2.778,391 1.519,392 3.869,393 2.414,394 1.414,395 1.845,397 3.181,398 1.414,399 2.582,400 1.382,401 3.615,402 2.303,403 1.321,404 1.615,406 2.982,407 1.293,408 2.397,409 1.329,410 3.575,411 2.116,412 1.152,413 1.395,415 2.824,416 1.092,417 2.207,418 1,419 3.291,420 2,421 1,422 1.075,424 2.136,425 1,426 2,427 0.871,428 3.247,429 1.735,430 0.747,431 1,433 1.785,434 0.737,435 1.538,436 0.682,437 3.041,438 1.335,439 0.359,440 0.407,442 0.854,443 0.349,444 15.89,445 0.467,446 0.966,447 0.028,448 37.75,449 1.11,450 16.5,451 0.485,452 21.25,453 0.625,454 36.599,455 1.076,456 38.71,457 0.587,458 30.651,459 0.902,460 7.2,461 0.212,462 9.092,463 0.267,464 0.117,465 0.031,466 0.277,469 3,472 0.549,473 1.058,474 0.779,475 1.14,476 0.55,477 1.048,478 0.445,479 0.851,480 0.8,481 1.039,482 0.304,483 1.013,484 0.546,485 0.971,486 0.916,487 1.178,488 0.424,489 1.152,490 0.784,491 1.021,492 0.896,493 1.042,494 0.684,495 1.004,496 1.12,497 0.828,498 1.012,499 0.817,500 1.115,501 0.862,502 0.894,503 0.89,504 0.895,505 0.946,506 0.681,507 0.93,508 1.349,509 1.064,510 1.152,511 0.97,512 1.278,513 0.994,514 1.077,515 1.097,516 0.99,517 1.079,518 0.96,519 1.027,520 8,521 0.219,522 3.333,523 2.944,524 1.404,525 1.171,526 0.759,527 0.63,528 0.459,529 0.355,530 16542,531 42939,532 2.052,533 48.5,534 16,535 14,538 1,540 1,542 1.765,543 1.915,544 3.458,545 -0.392,550 101.038,551 1.531,552 3.311,553 4.442,554 5.055,555 5.374,556 5.404,557 2.788,558 4.83,559 5.061,560 3.729,561 2091.73,562 8.901,563 32881,568 398.93,569 1.533,570 5.01,571 0.216,572 0.007,573 0.064,574 0.059,575 0.029,576 0.024,577 0.015,578 0.012,579 0.009,580 0.008,581 0.444,582 0.33,583 0.75,584 0.706,585 182.324,586 0.04,587 -0.042,588 0.048,589 -0.007,590 -0.046,591 0.014,592 0.379,593 0.183,594 0.115,595 0.012,596 0.481,598 0.025,599 -0.146,600 -0.032,601 -0.169,602 0.052,603 -0.132,604 0.006,605 -0.166,606 0.06,607 -0.091,608 0.036,609 -0.022,610 -0.034,611 0.169,612 0.006,613 0.12,614 -0.068,615 0.087,616 -0.058,617 -0.065,618 0.054,619 0.03,620 -0.026,621 0.06,622 -0.187,623 -0.009,624 -0.141,626 -0.171,627 -0.041,628 0.01,629 -0.108,630 0.009,631 -0.119,632 0.02,633 -0.073,634 5.621,635 5.601,636 0.676,637 35.471,638 1.005,639 1.142,640 5.566,641 30.982,642 0.643,643 3.638,644 3.97,645 4.174,646 4.407,647 4.543,648 4.575,649 4.691,650 4.828,651 4.913,652 5.011,653 7.499,654 0.611,655 471.62,656 3.638,657 5.187,658 6.019,659 6.895,660 7.74,661 8.618,662 9.47,663 10.349,664 11.203,665 12.083,666 4.5,669 1,674 1,676 1,681 8,682 1,684 1,686 7,688 17,697 1,703 66,705 17,706 2,707 37,709 69,710 27,711 15,712 5,713 7,717 4,718 4,721 3,724 5,725 1,726 1,727 5,729 15,730 12,731 1,745 3,747 32,748 7,749 1,750 7,754 1,755 3,760 1,761 1,775 1,776 3,792 1,796 4,801 2,803 3,805 34,810 8,811 1,814 1,815 1,816 1,824 3,825 1.5,830 1,832 17.75,833 12.245,834 7.333,835 4.213,836 2.829,837 1.37,838 0.975,839 7.879,840 10.482,841 3.839,842 4.398,843 4.878,844 5.374,845 5.728,846 5.821,847 6.103,848 6.401,849 6.704,850 6.993,851 1,852 50,853 13.077,854 5.936,855 7.89,856 24.298,857 20.258,859 2.39,860 81.25,864 364.904,865 143.485,866 40.732,868 9.734,869 44.88,871 143.485,872 374.638,873 85.612,874 17.65,875 18.99,876 75.81,877 19.597,878 99.025,880 364.904,881 7.76,882 364.904,883 184.217,884 54.614,887 353.133,888 66.386,891 73.312,892 91.309,893 19.597,895 409.785,896 50.466,897 143.485,900 372.664,901 42.266,902 96.585,903 18.011,904 74.211,905 364.904,906 95.346,907 143.485,909 0.586,910 0.328,911 0.172,912 0.088,913 24,914 11,915 0.116,916 8,918 1,919 4.43,920 313.377,922 23,923 162.219,928 24.663,929 10.862,930 6.578,932 95.346,933 13.704,934 4.209,936 5.515,938 4.199,940 18.011,941 603.736,942 45.5,952 66.308,953 75.367,954 0.253,955 0.548,956 0.735,957 0.836,958 0.889,959 0.894,960 5.095,961 1.647,962 6.028,963 5.559,964 4.654,965 5.085,966 3.145,967 6.843,968 4.571,969 6.292,970 1.463,971 7.595,972 4.77,973 4.369,974 4.879,975 3.911,976 7.919,977 4.134,978 7.597,979 1.414,980 9.273,981 3.364,982 6.293,983 7.196,984 5.427,985 10.944,986 6.101,987 8.935,988 1.321,989 11.021,990 3.181,991 6.815,992 7.793,993 6.69,994 12.864,995 6.461,996 10.307,997 1.152,998 12.815,999 2.982,1000 8.251,1001 9.613,1002 8.058,1003 15.489,1004 7.911,1005 11.702,1006 1,1007 14.644,1008 2.824,1009 9.131,1010 10.588,1011 9.389,1012 17.751,1013 8.645,1014 13.116,1015 0.747,1016 16.499,1017 2.136,1018 10.392,1019 12.191,1020 10.734,1021 20.27,1022 9.88,1023 3.377,1024 0.359,1025 18.376,1026 1.785,1027 11.437,1028 13.356,1029 12.074,1030 22.673,1031 10.794,1032 2.981,1033 12.241,1034 20.269,1035 0.854,1036 12.637,1037 14.852,1038 13.416,1039 25.169,1040 11.937,1041 2.791,1042 9.496,1043 22.177,1044 4,1045 13.759,1046 16.114,1047 14.758,1048 27.628,1049 12.939,1050 2.605,1051 8.319,1052 24.097,1053 3.995,1054 14.945,1055 17.555,1056 16.1,1057 30.123,1058 14.045,1059 2.415,1060 7.688,1061 26.027,1062 3.715,1063 16.104,1064 18.87,1065 17.441,1066 32.606,1067 15.089,1068 2.167,1069 7.164,1070 27.965,1071 2.884,1072 17.29,1073 20.282,1074 18.783,1075 35.103,1076 16.181,1077 1.941,1078 6.336,1079 29.91,1080 2.681,1081 18.469,1082 21.624,1083 20.124,1084 37.598,1085 17.247,1086 15853,1087 25874,1088 24.444,1089 42.466,1090 55.568,1091 54.967,1092 55.755,1093 55.207,1094 54.905,1095 67.488,1096 11.158,1097 157.783,1098 52.621,1099 5.537,1100 6.471,1101 7.05,1102 5.292,1103 5.377,1104 7,1105 5.335,1106 19.758,1107 5.033,1108 17.69,1109 1.502,1110 1.486,1111 1.507,1112 1.492,1113 1.484,1114 1.824,1115 0.302,1116 4.264,1117 1.422,1118 4.026,1119 4.064,1120 3.97,1121 3.925,1122 8.513,1123 3.927,1124 3.946,1125 3.978,1126 3.898,1127 3.875,1128 7.999,1129 3.874,1130 3.872,1131 3.919,1132 3.789,1133 3.771,1134 7.999,1135 3.759,1136 3.818,1137 3.849,1138 3.723,1139 3.645,1140 5.224,1141 3.67,1142 3.471,1143 3.544,1144 3.365,1145 3.265,1146 4.737,1147 3.272,1148 3.316,1149 3.363,1150 3.304,1151 3.052,1152 4.698,1153 3.067,1154 3.195,1155 3.278,1156 3.021,1157 3.022,1158 4.306,1159 3.031,1160 3.167,1161 3.255,1162 2.975,1163 3.007,1164 4.072,1165 2.99,1166 0.123,1167 0.121,1168 0.196,1169 0.115,1170 0.091,1171 4.537,1172 0.108,1173 4.471,1174 0.103,1175 7.248,1176 0.331,1177 4.259,1178 0.082,1179 3.377,1180 4,1181 3.825,1182 12.241,1183 3.033,1184 1.943,1185 1.914,1186 2.12,1187 2.065,1188 1.518,1189 2.082,1190 1.938,1191 1.91,1192 2.058,1193 2.03,1194 1.223,1195 2.04,1196 1.882,1197 1.833,1198 2.029,1199 2,1200 1.197,1201 2.013,1202 1.606,1203 1.554,1204 1.786,1205 1.785,1206 1.033,1207 1.79,1208 1.381,1209 1.325,1210 1.6,1211 1.617,1212 0.868,1213 1.594,1214 1.237,1215 1.169,1216 1.561,1217 1.486,1218 0.825,1219 1.491,1220 1.21,1221 1.136,1222 1.537,1223 1.44,1224 0.654,1225 1.47,1226 1.153,1227 1.083,1228 1.513,1229 1.418,1230 0.623,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.151,1236 4.595,1237 8.735,1238 6.555,1239 10.361,1241 4.09,1243 40.804,1247 7.255,1248 3.27,1251 0.492,1252 2.083,1253 -4.371,1257 40.358,1258 101.038,1259 218.524,1260 293.181,1261 333.646,1262 354.665,1263 356.665,1264 77.529,1265 7.653,1266 41.3,1267 41.3,1268 23,1269 12.624,1270 4.17,1271 3.248,1272 56.6,1273 147,1274 148,1275 0.176,1276 244.745,1277 432.4,1278 588.937,1279 22460,1280 4.5,1281 24.131,1282 0.71,1283 0.582,1284 21.631,1285 19.79,1286 16.292,1287 0.44,1288 0.323,1289 11.793,1290 15.647,1291 11.484,1292 9.551,1293 15.081,1294 11.957,1295 15.402,1296 0.296,1297 0.18,1298 13.407,1299 9.384,1300 11.877,1301 0.186,1302 0.106,1303 11.145,1304 6.765,1305 9.772,1306 0.121,1307 0.059,1308 8.885,1309 4.789,1310 7.335,1311 0.079,1312 0.035,1313 6.802,1314 3.269,1315 0.277,1316 102.384,1317 0.202,1318 31.423,1319 0.483,1320 178,1321 627.692,1322 204.527,1323 529.501,1324 700.11,1325 492,1326 205,1327 503.389,1328 226.346,1329 491.276,1330 729.9,1331 459,1332 4.917}
{0 CHEMBL207290,1 1.473,2 9.3,3 3.601,4 12.965,5 85.244,6 7.66,7 0.727,8 3.699,9 3.825,10 3.36,11 3.34,12 4.739,13 3.269,14 4.192,15 4.366,16 3.691,17 3.69,18 5.175,19 3.595,20 4.382,21 4.615,22 3.595,23 3.733,24 5.275,25 3.607,26 4.352,27 4.581,28 3.572,29 3.698,30 5.228,31 3.545,32 4.278,33 4.517,34 3.536,35 3.636,36 5.167,37 3.465,38 4.149,39 4.378,40 3.433,41 3.54,42 5.033,43 3.349,44 3.957,45 4.174,46 3.079,47 3.336,48 4.808,49 3.152,50 3.807,51 4.045,52 2.715,53 3.088,54 4.62,55 2.934,56 0.04,57 0.549,58 8.051,59 3.425,60 6.343,61 4.477,62 0.136,63 0.901,64 15.849,65 5.664,66 13.255,67 7.56,68 0.164,69 1.026,70 19.204,71 7.068,72 18.945,73 9.468,74 0.131,75 1,76 20.409,77 7.313,78 16.613,79 9.531,80 0.163,81 0.938,82 19.961,83 7.063,84 19.051,85 8.814,86 0.133,87 0.839,88 19.747,89 6.699,90 16.448,91 7.848,92 0.102,93 0.684,94 17.093,95 5.76,96 11.628,97 6.664,98 0.076,99 0.55,100 10.465,101 3.934,102 9.712,103 5.396,104 5,105 29,106 0.265,107 0.61,108 0.753,109 0.83,110 0.876,111 0.895,112 3.057,113 1.042,114 -4.29,115 -4.23,116 -3.99,119 43.2,120 1,125 2,138 7,139 2,140 1,142 1,147 1,155 1,163 9,166 1,169 1,171 4,172 11,179 1,181 3,183 9,187 2,192 4,194 7,198 4,202 1,203 1,205 5,209 3,217 4,221 1,226 3,227 1,236 3,247 3,249 2,252 482,253 14.008,254 14.008,255 14.008,256 14.008,257 14.008,258 12.127,259 17.618,260 8.677,261 14.423,262 10.88,263 10.88,264 10.88,265 10.88,266 10.88,267 8.094,268 30.266,269 4.107,270 11.538,271 3.736,272 1.819,273 1.025,274 0.602,275 0.345,276 0.237,277 3.744,281 1,282 1,283 1,284 401,285 2.55,287 50.656,288 95.635,292 81.854,295 1.5,296 8.31,297 1,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 1,306 0.87,307 41.5,308 186,309 4.501,310 3.119,311 6.515,312 4.033,313 3.049,314 4.433,315 0.657,316 10.243,317 3.008,318 4.11,319 2.872,320 5.669,321 3.62,322 2.719,323 3.732,324 0.4,325 7.935,326 2.449,327 3.523,328 2.393,329 5.227,330 3.132,331 2.172,332 2.91,334 6.435,335 2.085,336 3.159,337 1.98,338 4.804,339 2.754,340 1.835,341 2.427,343 5.289,344 1.658,345 3.118,346 1.618,347 4.136,348 2.618,349 1.618,350 2.349,352 3.761,353 1.618,354 2.767,355 1.609,356 3.593,357 2.303,358 1.37,359 1.9,361 2.833,362 1.281,363 2.465,364 1.272,365 3.442,366 2.262,367 1.268,368 1.462,370 2.598,371 1.252,372 2.333,373 0.97,374 3.306,375 1.873,376 0.903,377 1.268,379 2.082,380 0.871,381 2.191,382 0.764,383 3.256,384 1.543,385 0.726,386 1.053,388 1.705,389 0.58,390 1.369,391 0.398,392 2.794,393 1.164,394 0.227,395 0.248,397 0.384,398 0.212,399 1.243,400 0.071,401 2.374,402 0.897,403 -0.051,404 -0.065,406 -0.125,407 -0.048,408 0.882,409 -0.516,410 2.295,411 0.382,412 -0.618,413 -0.84,415 -1.478,416 -0.618,417 0.733,418 -0.618,419 2,420 0.315,421 -0.651,422 -0.927,424 -1.558,425 -0.627,426 0.409,427 -0.709,428 1.912,429 0.042,430 -0.907,431 -1.061,433 -1.923,434 -0.834,435 0.218,436 -1.004,437 1.469,438 -0.101,439 -1.071,440 -1.471,442 -2.628,443 -1.036,444 10.033,445 0.502,446 0.307,447 0.015,448 27,449 1.35,450 14.5,451 0.725,452 12.5,453 0.625,454 13.948,455 0.697,456 20.567,457 0.556,458 15.783,459 0.789,460 5.213,461 0.261,462 4.652,463 0.233,464 0.05,466 0.249,472 1.063,473 1.116,474 0.777,475 0.853,476 1.022,477 0.866,478 0.963,479 1.146,480 0.917,481 1.028,482 0.895,483 0.958,484 1.146,485 0.919,486 0.846,487 0.827,488 1.024,489 0.887,490 1.041,491 1.158,492 1.033,493 1.082,494 0.969,495 1.031,496 1.208,497 0.895,498 1.12,499 0.958,500 1.127,501 0.915,502 1.422,503 0.993,504 1.494,505 1.185,506 1.304,507 0.986,508 1.321,509 1.171,510 1.804,511 1.509,512 1.094,513 1.175,514 1.206,515 1.081,516 1.012,517 1.053,518 1.172,519 1.177,520 3,521 0.041,522 1.556,523 1.132,524 0.681,525 0.368,526 0.247,527 0.153,528 0.07,529 0.051,530 3957,531 9113,532 2.138,533 45.9,535 11,536 1,538 2,540 3,542 1.615,543 2.069,544 3.184,545 0.311,547 1,548 1,550 54.508,551 1.473,552 3.39,553 4.185,554 4.608,555 4.865,556 4.973,557 2.709,558 3.922,559 4.29,560 3.312,561 629.207,562 7.318,563 6447.04,564 1,565 1,566 1,567 1,568 192.75,569 1.076,570 4.283,571 0.136,572 0.006,573 0.054,574 0.042,575 0.028,576 0.017,577 0.013,578 0.01,579 0.006,580 0.006,581 0.318,582 0.5,583 1,584 1.08,585 89.134,586 -0.057,587 -0.024,588 0.067,589 0.064,590 -0.11,591 0.048,592 0.152,593 -0.078,594 0.038,595 -0.069,596 0.073,597 -0.028,598 -0.012,599 0.086,600 0.024,601 0.066,602 0.022,603 0.05,604 -0.003,605 -0.16,606 -0.01,607 -0.086,608 0.004,609 -0.065,610 -0.03,611 0.141,612 0.031,613 0.104,614 -0.002,615 0.057,616 -0.216,617 0.082,618 -0.094,619 0.029,620 -0.135,621 0.011,622 -0.245,623 -0.109,624 -0.38,625 -0.265,626 -0.101,627 -0.166,628 -0.218,629 -0.126,630 -0.237,631 -0.206,632 -0.263,633 -0.239,634 0.728,635 1.595,636 0.75,637 14.92,638 0.988,639 1.117,640 3.06,641 9.361,642 0.703,643 3.135,644 3.401,645 3.664,646 3.932,647 4.094,648 4.094,649 4.205,650 4.29,651 4.331,652 4.22,653 5.378,654 0.647,655 283.43,656 3.135,657 4.635,658 5.468,659 6.326,660 7.18,661 8.047,662 8.909,663 9.779,664 10.645,665 11.517,666 8.1,668 1,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 37,705 16,706 2,707 22,709 39,710 16,711 13,712 3,713 7,717 3,718 4,721 1,729 13,730 3,743 1,744 1,747 17,748 3,749 2,750 4,751 1,755 3,760 0.667,775 1,776 2,780 1,791 1,796 2,799 1,801 1,805 20,810 2,811 2,819 1,832 9.667,833 6.783,834 4.556,835 2.294,836 3.191,837 1.475,838 1.018,839 4.164,840 9.909,841 3.434,842 4.039,843 4.658,844 5.277,845 5.753,846 6.004,847 6.422,848 6.83,849 7.209,850 7.198,851 1,852 27,853 7.362,854 3.016,855 7.458,856 14.451,857 11.65,859 1.958,860 39.167,861 0.001,864 176.567,865 129.457,866 52.807,870 31.278,871 98.18,872 176.567,873 52.807,874 8.825,875 4.211,876 91.994,877 16.786,878 29.171,879 11.771,880 196.073,882 176.567,883 150.987,885 31.278,887 141.253,888 35.313,891 52.316,892 81.885,893 16.786,894 31.278,895 176.567,896 52.807,897 129.457,900 176.567,901 46.649,902 82.808,903 36.022,904 16.786,905 176.567,906 52.807,907 129.457,909 0.557,910 0.324,911 0.185,912 0.1,913 14,914 5,915 0.128,916 5,917 1,918 1.133,919 3.367,920 146.323,921 0.133,922 15,923 84.439,924 1,928 13.376,929 6.227,930 3.122,931 2.459,932 52.807,933 16.75,934 4.595,937 1.641,938 3.126,940 36.022,941 358.831,942 30,952 36.567,953 41.321,954 0.283,955 0.651,956 0.803,957 0.884,958 0.934,959 0.955,960 4.615,961 0.903,962 5.407,963 2.598,964 4.078,965 4.723,966 0.781,967 6.168,968 3.974,969 5.802,970 0.726,971 6.921,972 2.082,973 3.434,974 4.407,976 6.952,977 3.303,978 7.091,979 0.227,980 8.538,981 1.705,982 5.602,983 6.968,984 0.354,985 10.07,986 5.417,987 8.424,988 -0.051,989 10.222,990 0.384,991 5.861,992 7.584,994 11.753,995 5.649,996 9.794,997 -0.618,998 11.949,999 -0.125,1000 7.419,1001 9.528,1002 0.157,1003 14.346,1004 7.177,1005 11.19,1006 -0.651,1007 13.707,1008 -1.478,1009 8.116,1010 10.592,1012 16.395,1013 7.857,1014 12.608,1015 -0.907,1016 15.487,1017 -1.558,1018 9.409,1019 12.27,1020 0.069,1021 18.812,1022 9.132,1023 3.049,1024 -1.071,1025 17.284,1026 -1.923,1027 10.319,1028 13.552,1030 21.017,1031 10.032,1032 2.719,1033 10.243,1034 19.095,1035 -2.628,1036 11.497,1037 15.115,1038 0.03,1039 23.373,1040 11.198,1041 2.172,1042 7.935,1043 20.916,1044 4.433,1045 12.507,1046 16.501,1048 25.643,1049 12.203,1050 1.835,1051 6.435,1052 22.745,1053 3.732,1054 13.638,1055 18.016,1056 0.013,1057 27.978,1058 13.325,1059 1.618,1060 5.289,1061 24.582,1062 2.91,1063 14.695,1064 19.451,1066 30.278,1067 14.378,1068 1.37,1069 3.761,1070 26.424,1071 2.427,1072 15.807,1073 20.946,1074 0.006,1075 32.605,1076 15.484,1077 1.268,1078 2.833,1079 28.271,1080 2.349,1081 16.888,1082 22.406,1084 34.919,1085 16.561,1086 3862,1087 5976,1088 15.197,1089 25.995,1090 31.799,1091 31.919,1092 32.757,1093 31.694,1094 31.775,1095 43.563,1096 2.115,1097 86.528,1098 30.027,1099 5.299,1100 5.119,1101 6.379,1102 5.143,1103 5.049,1104 7.433,1105 1.315,1106 17.083,1107 5.008,1108 5.915,1109 1.445,1110 1.451,1111 1.489,1112 1.441,1113 1.444,1114 1.98,1115 0.096,1116 3.933,1117 1.365,1118 4.09,1119 4.114,1120 4.228,1121 4.047,1122 4.943,1123 4.042,1124 3.845,1125 3.881,1126 4.012,1127 3.816,1128 4.797,1129 3.749,1130 3.542,1131 3.622,1132 3.422,1133 3.39,1134 4.348,1135 3.381,1136 3.455,1137 3.503,1138 3.362,1139 3.339,1140 4.259,1141 3.317,1142 3.139,1143 3.215,1144 3.017,1145 3.003,1146 3.951,1147 2.998,1148 2.98,1149 3.057,1150 2.925,1151 2.853,1152 3.665,1153 2.8,1154 2.695,1155 2.789,1156 2.568,1157 2.576,1158 3.513,1159 2.561,1160 2.652,1161 2.716,1162 2.526,1163 2.466,1164 3.405,1165 2.456,1166 0.205,1167 0.142,1168 0.296,1169 0.183,1170 0.139,1171 4.501,1172 0.202,1173 3.119,1174 0.03,1175 6.515,1176 0.466,1177 4.033,1178 0.137,1179 3.049,1180 4.433,1181 0.657,1182 10.243,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.636,1191 1.568,1192 1.882,1193 1.864,1194 1.057,1195 1.875,1196 1.499,1197 1.46,1198 1.669,1199 1.637,1200 0.822,1201 1.649,1202 1.392,1203 1.336,1204 1.627,1205 1.567,1206 0.707,1207 1.599,1208 1.284,1209 1.254,1210 1.336,1211 1.41,1212 0.486,1213 1.441,1214 1.007,1215 0.973,1216 1.128,1217 1.102,1218 0.327,1219 1.168,1220 0.798,1221 0.69,1222 1.107,1223 1.095,1224 0.165,1225 1.114,1226 0.689,1227 0.637,1228 0.948,1229 0.839,1230 0.07,1231 0.879,1232 3.807,1233 5.081,1234 2.398,1235 6.558,1236 4.595,1237 8.134,1238 6.555,1239 9.765,1241 2.099,1247 1.786,1248 6.711,1257 23.939,1258 54.508,1259 125.447,1260 154.834,1261 170.485,1262 179.995,1263 183.995,1264 20.441,1265 6.718,1266 36.95,1267 65.19,1268 17,1269 12.06,1270 4.087,1271 3.17,1272 30.064,1273 64,1274 76,1275 0.235,1276 153.09,1277 248.61,1278 365.299,1279 6924,1281 13.786,1282 0.689,1283 0.61,1284 14.14,1285 12.205,1286 9.865,1287 0.448,1288 0.347,1289 6.787,1290 9.207,1291 6.52,1292 5.465,1293 10.319,1294 7.645,1295 8.322,1296 0.287,1297 0.187,1298 8.9,1299 5.434,1300 6.975,1301 0.184,1302 0.104,1303 7.633,1304 3.946,1305 5.94,1306 0.119,1307 0.057,1308 6.65,1309 2.871,1310 4.684,1311 0.079,1312 0.032,1313 5.24,1314 1.888,1315 0.366,1316 65.045,1317 0.257,1318 20.053,1319 0.645,1320 102,1321 245.171,1322 130.946,1323 268.331,1324 378.37,1325 254,1326 118,1327 271.597,1328 142.174,1329 293.534,1330 428.24,1331 277,1332 6}
{0 CHEMBL207320,1 1.35,2 10.5,3 6.171,4 38.086,5 113.279,6 6.684,7 0.571,8 4.056,9 4.193,10 3.582,11 3.652,12 5.001,13 3.563,14 4.61,15 4.819,16 3.928,17 4.031,18 5.453,19 3.916,20 4.857,21 5.095,22 3.876,23 4.15,24 5.653,25 3.991,26 5.018,27 5.324,28 3.909,29 4.166,30 5.691,31 3.988,32 4.843,33 5.07,34 3.946,35 4.199,36 5.651,37 4.014,38 5.028,39 5.327,40 3.944,41 4.217,42 5.734,43 3.991,44 4.809,45 5.058,46 3.763,47 4.083,48 5.635,49 3.857,50 4.79,51 5.11,52 3.289,53 3.848,54 5.369,55 3.563,56 0.066,57 0.791,58 13.66,59 5.565,60 10.227,61 7.74,62 0.204,63 1.311,64 25.757,65 8.999,66 18.304,67 12.914,68 0.219,69 1.585,70 31.092,71 11.601,72 25.585,73 16.506,74 0.299,75 1.749,76 39.131,77 13.082,78 27.909,79 18.675,80 0.221,81 1.59,82 32.707,83 12.36,84 25.342,85 16.773,86 0.246,87 1.771,88 43.385,89 15.505,90 33.065,91 20.258,92 0.252,93 1.528,94 35.417,95 11.891,96 32.787,97 15.591,98 0.212,99 1.347,100 38.022,101 12.857,102 22.66,103 16.095,104 27,105 38,106 0.224,107 0.525,108 0.67,109 0.717,110 0.746,111 0.758,112 3.304,113 1.104,114 -5.67,115 -5.54,116 -5.17,119 40,120 4,122 2,125 3,138 7,139 2,140 1,142 1,147 1,155 1,163 13,166 3,169 1,171 3,172 13,175 1,176 4,181 3,183 9,187 3,192 3,194 8,198 5,201 1,203 1,205 9,209 7,217 9,221 3,226 2,227 5,231 3,236 4,242 3,249 4,252 986,253 17.309,254 17.309,255 17.309,256 17.309,257 17.309,258 15.428,259 19.714,260 10.469,261 17.713,262 13.898,263 13.898,264 13.898,265 13.898,266 13.898,267 11.122,268 32.646,269 5.041,270 14.605,271 4.432,272 2.62,273 1.749,274 1.464,275 1.291,276 1.219,277 3.985,283 1,284 573,285 3.937,287 74.763,288 141.899,292 120.982,295 1.731,296 10.926,299 0.75,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.89,307 53.5,308 273,309 4.502,310 3.132,311 6.515,312 4.033,313 3.05,314 4.433,315 0.916,316 10.243,317 3.008,318 4.125,319 3.035,320 5.752,321 3.712,322 2.791,323 3.737,324 0.4,325 8.207,326 2.579,327 3.642,328 2.706,329 5.477,330 3.468,331 2.55,332 2.917,333 0.172,334 7.363,335 2.336,336 3.486,337 2.297,338 5.184,339 3.111,340 2.139,341 2.642,343 6.307,344 2.107,345 3.118,346 2.132,347 4.774,348 3.109,349 2.115,350 2.427,352 5.228,353 2.073,354 3.115,355 1.94,356 4.618,357 2.773,358 1.834,359 2.263,361 5.051,362 1.697,363 3.111,364 1.667,365 4.165,366 2.618,367 1.618,368 2.115,370 3.873,371 1.618,372 2.767,373 1.618,374 4.105,375 2.458,376 1.518,377 1.899,379 3.729,380 1.416,381 2.619,382 1.272,383 3.591,384 2.267,385 1.269,386 1.625,388 2.825,389 1.265,390 2.344,391 0.965,392 3.343,393 1.872,394 0.902,395 1.278,397 2.114,398 0.87,399 2.196,400 0.754,401 3.268,402 1.526,403 0.72,404 1.054,406 1.725,407 0.569,408 1.325,409 0.2,410 2.861,411 0.962,412 0.013,413 0.017,415 0.036,416 0.013,417 0.943,418 -0.023,419 2.621,420 0.709,421 -0.227,422 -0.254,424 -0.629,425 -0.21,426 0.882,427 -0.056,428 2.382,429 0.703,430 -0.254,431 -0.26,433 -0.661,434 -0.242,435 0.746,436 -0.598,437 2.318,438 0.382,439 -0.618,440 -0.915,442 -1.478,443 -0.618,444 13.033,445 0.501,446 0.664,447 0.026,448 30.25,449 1.163,450 14.5,451 0.558,452 15.75,453 0.606,454 26.346,455 1.013,456 28.367,457 0.516,458 18.664,459 0.718,460 5.302,461 0.204,462 7.206,463 0.277,464 0.153,466 0.299,472 1.002,473 1.293,474 0.88,475 1.034,476 1.114,477 1.044,478 1.088,479 1.11,480 0.908,481 0.979,482 0.716,483 0.939,484 1.14,485 1.226,486 0.968,487 1.073,488 1.044,489 1.131,490 1.302,491 0.768,492 0.788,493 0.69,494 0.704,495 0.686,496 1.205,497 1.138,498 1.144,499 1.13,500 1.356,501 1.18,502 0.915,503 0.91,504 1.071,505 0.959,506 0.731,507 0.81,508 1.859,509 1.13,510 1.563,511 1.273,512 2.042,513 1.215,514 0.984,515 1.031,516 1.585,517 1.316,518 0.648,519 0.933,520 6,521 0.145,522 1.778,523 2.007,524 0.876,525 0.948,526 0.355,527 0.41,528 0.119,529 0.15,530 8003,531 15235,532 2.037,533 52.7,534 12,535 13,536 1,538 1,540 2,542 1.69,543 1.902,544 3.334,545 -0.408,550 74.231,551 1.35,552 3.162,553 4.033,554 4.317,555 4.49,556 4.563,557 2.735,558 4.023,559 4.674,560 3.569,561 1160.08,562 8.092,563 15034.3,568 317.975,569 1.42,570 4.628,571 0.214,572 0.007,573 0.047,574 0.057,575 0.024,576 0.028,577 0.01,578 0.016,579 0.007,580 0.008,581 0.419,582 0.5,583 0.88,584 1.527,585 128.545,586 0.059,587 -0.115,588 0.08,589 0.008,590 -0.086,591 0.012,592 0.18,593 0.001,594 0.104,595 0.027,596 0.241,597 0.063,598 0.035,599 -0.185,600 -0.077,601 -0.146,602 -0.033,603 -0.156,604 0.008,605 0.207,606 0.188,607 0.234,608 0.211,609 0.251,610 -0.074,611 -0.066,612 -0.092,613 -0.097,614 -0.199,615 -0.177,616 0.094,617 0.06,618 0.148,619 0.141,620 0.329,621 0.181,622 -0.369,623 -0.021,624 -0.255,625 -0.145,626 -0.548,627 -0.231,628 0.023,629 -0.074,630 -0.131,631 -0.095,632 0.162,633 0.066,634 0.703,635 1.832,636 0.577,637 23.769,638 0.979,639 1.124,640 4.442,641 19.731,642 0.665,643 3.367,644 3.664,645 3.85,646 4.143,647 4.277,648 4.344,649 4.407,650 4.522,651 4.605,652 4.522,653 6.608,654 0.602,655 367.61,656 3.367,657 4.89,658 5.707,659 6.575,660 7.413,661 8.286,662 9.133,663 10.008,664 10.86,665 11.736,666 5.5,669 1,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 55,705 16,706 2,707 28,709 57,710 22,711 13,712 3,713 7,717 3,718 4,721 4,729 13,730 9,731 2,747 29,748 3,749 1,750 4,751 1,755 3,760 0.667,775 1,776 2,780 1,792 1,796 2,799 1,801 4,805 26,810 3,811 1,814 2,815 1,819 1,832 13.667,833 10.9,834 5.722,835 3.511,836 3.214,837 1.447,838 0.962,839 6.525,840 10.401,841 3.611,842 4.186,843 4.731,844 5.341,845 5.801,846 6.074,847 6.49,848 6.895,849 7.279,850 7.283,851 0.857,852 35,853 9.62,854 3.897,855 7.378,856 19.195,857 15.635,859 1.878,860 48.833,864 329.591,865 158.039,866 37.921,870 31.278,871 126.761,872 329.591,873 37.921,874 35.301,875 6.317,876 73.983,877 16.786,878 32.295,879 11.771,880 349.097,882 329.591,883 164.682,885 31.278,887 306.049,888 23.542,891 66.01,892 81.885,893 16.786,894 31.278,895 329.591,896 37.921,897 158.039,900 329.591,901 48.755,902 112.408,903 18.011,904 16.786,905 329.591,906 37.921,907 158.039,909 0.572,910 0.302,911 0.177,912 0.093,913 17,914 8,915 0.14,916 8,917 1,918 1.133,919 3.819,920 208.155,921 0.133,922 15,923 108.211,924 1,928 19.16,929 8.854,930 5.442,931 2.474,932 37.921,933 16.981,934 4.832,937 1.684,938 3.231,940 18.011,941 525.55,942 36,952 53.869,953 61.813,954 0.233,955 0.547,956 0.698,957 0.747,958 0.777,959 0.789,960 4.828,961 1.518,962 5.68,963 3.873,964 4.344,965 4.871,966 1.038,967 6.438,968 4.252,969 6.014,970 1.269,971 7.198,972 3.729,973 3.892,974 4.605,975 0.325,976 7.209,977 3.775,978 7.295,979 0.902,980 8.811,981 2.825,982 5.878,983 7.046,984 0.697,985 10.288,986 5.702,987 8.611,988 0.72,989 10.481,990 2.114,991 6.196,992 7.653,993 0.393,994 11.908,995 5.99,996 9.961,997 0.013,998 12.19,999 1.725,1000 7.675,1001 9.563,1002 0.537,1003 14.495,1004 7.429,1005 11.336,1006 -0.227,1007 13.927,1008 0.036,1009 8.376,1010 10.617,1011 0.384,1012 16.5,1013 8.105,1014 12.733,1015 -0.254,1016 15.685,1017 -0.629,1018 9.632,1019 12.286,1020 0.438,1021 18.909,1022 9.335,1023 3.05,1024 -0.618,1025 17.462,1026 -0.661,1027 10.529,1028 13.562,1029 0.351,1030 21.087,1031 10.214,1032 2.791,1033 10.243,1034 19.253,1035 -1.478,1036 11.686,1037 15.122,1038 0.366,1039 23.435,1040 11.353,1041 2.55,1042 8.207,1043 21.056,1044 4.433,1045 12.682,1046 16.506,1047 0.312,1048 25.69,1049 12.337,1050 2.139,1051 7.363,1052 22.87,1053 3.737,1054 13.798,1055 18.019,1056 0.309,1057 28.018,1058 13.441,1059 2.115,1060 6.307,1061 24.692,1062 2.917,1063 14.843,1064 19.454,1065 0.273,1066 30.309,1067 14.478,1068 1.834,1069 5.228,1070 26.521,1071 2.642,1072 15.944,1073 20.948,1074 0.262,1075 32.631,1076 15.571,1077 1.618,1078 5.051,1079 28.357,1080 2.427,1081 17.014,1082 22.408,1083 0.236,1084 34.939,1085 16.635,1086 7886,1087 11114,1088 18.493,1089 36.563,1090 41.845,1091 41.139,1092 42.163,1093 40.934,1094 41.037,1095 52.817,1096 2.978,1097 113.4,1098 39.1,1099 5.374,1100 5.132,1101 6.204,1102 5.15,1103 5.05,1104 7.433,1105 1.605,1106 17.084,1107 5.008,1108 13.51,1109 1.494,1110 1.469,1111 1.506,1112 1.462,1113 1.466,1114 1.886,1115 0.106,1116 4.05,1117 1.396,1118 4.093,1119 4.117,1120 4.229,1121 4.049,1122 4.943,1123 4.043,1124 3.887,1125 3.937,1126 4.012,1127 3.828,1128 4.793,1129 3.774,1130 3.73,1131 3.775,1132 3.668,1133 3.627,1134 4.356,1135 3.599,1136 3.615,1137 3.689,1138 3.428,1139 3.485,1140 4.322,1141 3.462,1142 3.465,1143 3.512,1144 3.367,1145 3.384,1146 4.172,1147 3.373,1148 3.24,1149 3.327,1150 3.132,1151 3.061,1152 3.973,1153 3.047,1154 3.077,1155 3.14,1156 2.997,1157 2.958,1158 3.794,1159 2.938,1160 2.874,1161 3.009,1162 2.644,1163 2.618,1164 3.556,1165 2.583,1166 0.161,1167 0.112,1168 0.233,1169 0.144,1170 0.109,1171 4.502,1172 0.158,1173 3.132,1174 0.033,1175 6.515,1176 0.366,1177 4.033,1178 0.107,1179 3.05,1180 4.433,1181 0.916,1182 10.243,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.322,1189 2.138,1190 1.8,1191 1.735,1192 2.028,1193 1.987,1194 1.285,1195 2.004,1196 1.649,1197 1.579,1198 1.933,1199 1.823,1200 1.178,1201 1.865,1202 1.505,1203 1.46,1204 1.695,1205 1.682,1206 0.917,1207 1.692,1208 1.494,1209 1.453,1210 1.665,1211 1.615,1212 0.708,1213 1.64,1214 1.286,1215 1.265,1216 1.417,1217 1.423,1218 0.565,1219 1.442,1220 1.077,1221 1.005,1222 1.417,1223 1.301,1224 0.469,1225 1.344,1226 0.987,1227 0.93,1228 1.372,1229 1.239,1230 0.469,1231 1.308,1232 4.043,1233 5.342,1234 2.398,1235 6.812,1236 4.595,1237 8.371,1238 6.555,1239 9.983,1241 9.119,1247 3.146,1248 3.511,1251 1.335,1252 2.52,1257 33.1,1258 74.231,1259 173.885,1260 221.794,1261 237.445,1262 246.955,1263 250.955,1264 37.083,1265 7.187,1266 28.16,1267 56.4,1268 17,1269 12.28,1270 4.087,1271 3.17,1272 44.418,1273 105,1274 78,1275 0.209,1276 210.644,1277 352.41,1278 505.731,1279 12848,1281 18.518,1282 0.712,1283 0.654,1284 18.872,1285 17.014,1286 12.508,1287 0.447,1288 0.368,1289 9.439,1290 11.838,1291 8.913,1292 7.601,1293 12.962,1294 10.305,1295 11.541,1296 0.304,1297 0.227,1298 12.118,1299 8.636,1300 8.285,1301 0.18,1302 0.109,1303 8.944,1304 5.022,1305 7.493,1306 0.121,1307 0.066,1308 8.189,1309 4.066,1310 5.509,1311 0.078,1312 0.036,1313 6.082,1314 2.527,1315 0.331,1316 81.018,1317 0.233,1318 25.295,1319 0.564,1320 132,1321 280.483,1322 161.64,1323 305.691,1324 428.81,1325 288,1326 150,1327 308.583,1328 175.84,1329 335.35,1330 486.74,1331 313,1332 7.347}
{0 CHEMBL207479,1 1.48,2 7.474,3 4.5,4 20.247,5 80.551,6 7.539,7 0.714,8 3.674,9 3.803,10 3.325,11 3.304,12 4.707,13 3.23,14 4.186,15 4.364,16 3.732,17 3.699,18 5.146,19 3.613,20 4.387,21 4.584,22 3.6,23 3.769,24 5.334,25 3.635,26 4.561,27 4.85,28 3.63,29 3.77,30 5.38,31 3.575,32 4.262,33 4.502,34 3.366,35 3.576,36 5.068,37 3.336,38 3.886,39 4.11,40 3.28,41 3.283,42 4.831,43 3.149,44 3.861,45 4.089,46 2.934,47 3.249,48 4.679,49 3.101,50 3.812,51 4.011,52 2.765,53 3.217,54 4.646,55 3.057,56 0.041,57 0.546,58 8.146,59 3.406,60 7.862,61 4.498,62 0.122,63 0.896,64 16.144,65 5.857,66 13.787,67 7.914,68 0.104,69 1.046,70 18.189,71 7.05,72 18.531,73 9.55,74 0.235,75 1.178,76 25.861,77 8.824,78 28.659,79 11.71,80 0.154,81 0.935,82 26.698,83 8.48,84 16.715,85 9.372,86 0.169,87 0.669,88 14.372,89 4.208,90 14.563,91 5.258,92 0.073,93 0.581,94 12.808,95 4.833,96 9.985,97 6.254,98 0.033,99 0.535,100 8.882,101 4.24,102 8.669,103 6.02,104 11,105 31,106 0.269,107 0.642,108 0.72,109 0.761,110 0.771,111 0.771,112 3.011,113 1.03,114 -4.12,115 -4.07,116 -3.85,119 41.7,120 3,123 1,138 4,139 1,140 1,142 1,147 2,148 1,155 1,163 6,166 2,169 1,171 6,172 6,176 3,181 3,183 4,187 2,191 1,192 3,194 6,198 2,203 3,205 2,209 1,212 1,214 1,217 3,227 8,236 1,238 7,247 3,249 3,252 380,253 12.488,254 12.488,255 12.488,256 12.488,257 12.488,258 10.776,259 15.55,260 7.185,261 12.86,262 10.389,263 10.389,264 10.389,265 10.389,266 10.389,267 7.816,268 25.3,269 3.41,270 11.017,271 3.69,272 1.633,273 1.202,274 0.98,275 0.925,276 0.925,277 3.683,282 1,283 1,284 306,285 3.082,287 86.546,288 47.937,291 71.932,295 1.186,296 8.458,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 39.5,308 142,309 4.526,310 3.55,311 7.118,312 4.311,313 3.328,314 4.46,315 0.4,316 11.7,317 3.278,318 4.457,319 3.112,320 6.521,321 4.033,322 3.055,323 3.911,325 10.258,326 2.987,327 3.797,328 2.601,329 5.496,330 3.366,331 2.49,332 3.081,334 7.383,335 2.181,336 3.416,337 2.057,338 5.086,339 2.94,340 2,341 2.773,343 5.964,344 1.862,345 3.048,346 1.548,347 4.417,348 2.544,349 1.548,350 2.321,352 4.083,353 1.542,354 2.695,355 1.429,356 4.09,357 2.293,358 1.358,359 1.752,361 3.625,362 1.257,363 2.5,364 1,365 3.414,366 1.971,367 1,368 1.5,370 2.234,371 0.969,372 2.172,373 0.743,374 3.302,375 1.585,376 0.704,377 1.021,379 1.751,380 0.604,381 2.07,382 0.653,383 3.225,384 1.474,385 0.618,386 0.884,388 1.562,389 0.527,390 1.209,391 -0.018,392 2.796,393 0.813,394 -0.132,395 -0.172,397 -0.349,398 -0.124,399 0.573,400 -0.678,401 2.519,402 0.153,403 -0.8,404 -1,406 -2.178,407 -0.76,408 0.5,409 -1,410 2.287,412 -1,413 -1,415 -2.435,416 -0.982,417 0.061,418 -1,419 2,421 -1,422 -1.053,424 -3,425 -1,427 -1,428 2,429 -0.017,430 -1,431 -1.5,433 -3,434 -1,436 -1.025,437 1.788,438 -0.39,439 -1.278,440 -1.545,442 -3.812,443 -1.051,444 9.533,445 0.502,446 0.634,447 0.033,448 24.5,449 1.289,450 12.5,451 0.658,452 12,453 0.632,454 15.802,455 0.832,456 19.867,457 0.552,458 13.637,459 0.718,460 4.333,461 0.228,462 4.704,463 0.248,464 0.157,465 0.052,466 0.262,472 1.062,473 1.147,474 0.784,475 0.87,476 1.156,477 0.887,478 0.683,479 1.11,480 0.768,481 0.942,482 0.579,483 0.825,484 1.132,485 1.365,486 0.997,487 1.158,488 1.115,489 1.242,490 1.207,491 0.732,492 0.81,493 0.687,494 1.247,495 0.768,496 1.347,497 1.263,498 2.048,499 1.671,500 0.948,501 1.178,502 1.83,503 0.779,504 1.304,505 0.919,506 1.381,507 0.808,508 0.826,509 0.901,510 1.138,511 1.076,512 0.866,513 0.981,514 0.502,515 1.146,516 0.852,517 1.151,518 0.954,519 1.387,520 5,522 2.444,523 1.188,524 0.988,525 0.285,526 0.343,527 0.266,528 0.208,529 0.121,530 3261,531 7266,532 2.069,533 47.2,534 9,535 4,536 2,538 2,542 1.601,543 1.916,544 2.922,545 0.341,547 1,550 53.272,551 1.48,552 3.537,553 3.968,554 4.19,555 4.245,556 4.245,557 2.234,558 3.787,559 4.225,560 3.083,561 527.255,562 7.183,563 5185.81,565 1,567 1,568 186.117,569 1.638,570 4.16,571 0.238,573 0.079,574 0.046,575 0.043,576 0.017,577 0.02,578 0.018,579 0.017,580 0.013,581 0.491,582 0.83,583 1,584 0.868,585 81.983,586 -0.055,587 -0.031,588 0.07,589 0.065,590 -0.215,591 0.05,592 0.299,593 -0.053,594 0.184,595 0.04,596 0.341,597 0.138,598 -0.11,599 -0.346,600 -0.177,601 -0.276,602 -0.114,603 -0.311,604 -0.014,605 0.236,606 0.186,607 0.262,608 -0.063,609 0.19,610 -0.18,611 -0.176,612 -0.331,613 -0.256,614 0.017,615 -0.135,616 -0.19,617 0.385,618 -0.035,619 0.168,620 -0.13,621 0.119,622 -0.101,623 0.058,624 -0.154,625 -0.057,626 -0.005,627 0.022,628 -0.1,629 -0.26,630 -0.274,631 -0.342,632 -0.267,633 -0.413,634 1.156,635 1.665,636 0.737,637 11.579,638 0.988,639 1.12,640 2.89,641 8.352,642 0.694,643 3.091,644 3.466,645 3.689,646 3.932,647 4.025,648 4.094,649 4.127,650 4.277,651 4.22,652 4.205,653 4.846,654 0.637,655 271.42,656 3.091,657 4.654,658 5.501,659 6.399,660 7.265,661 8.159,662 9.032,663 9.924,664 10.799,665 11.69,666 8.3,674 2,676 1,680 2,681 6,682 1,683 1,685 1,686 3,688 15,697 1,703 36,705 15,706 1,707 21,709 38,710 15,711 11,712 3,713 3,717 3,718 4,721 3,722 1,729 11,730 4,744 1,747 17,748 2,749 2,750 4,751 1,755 3,760 0.667,772 1,775 2,776 1,779 1,796 2,799 1,801 3,805 19,811 1,816 1,819 1,832 9.917,833 7.367,834 3.972,835 2.072,836 2.907,837 1.442,838 0.994,839 3.093,840 9.491,841 3.384,842 4.052,843 4.663,844 5.276,845 5.635,846 5.963,847 6.307,848 6.759,849 6.831,850 7.15,851 0.8,852 26,853 6.996,854 2.93,855 7.469,856 13.712,857 11.387,859 1.969,860 37.417,861 0.002,864 176.567,865 123.086,866 51.582,870 31.278,871 91.808,872 176.567,873 51.582,874 26.476,876 54.601,877 16.786,878 43.383,879 25.686,880 184.302,882 176.567,883 143.39,885 31.278,887 176.567,891 64.529,892 62.075,893 16.786,894 31.278,895 176.567,896 51.582,897 123.086,900 176.567,901 42.009,902 81.077,903 34.796,904 16.786,905 176.567,906 51.582,907 123.086,909 0.601,910 0.335,911 0.172,912 0.083,913 17,914 7,915 0.079,916 3,917 1,918 1.143,919 3.139,920 141.649,921 0.143,922 14,923 75.956,924 1,928 12.671,929 4.638,930 2.521,931 2.326,932 34.796,933 12.352,934 4.665,935 3.218,937 1.65,938 3.161,940 34.796,941 351.234,942 28.5,952 35.567,953 40.321,954 0.286,955 0.684,956 0.767,957 0.81,958 0.821,959 0.821,960 4.632,961 0.704,962 5.549,963 2.234,964 4.143,965 4.736,966 0.278,967 6.418,968 4.043,969 5.888,970 0.618,971 7.155,972 1.751,973 4.007,974 4.663,976 7.662,977 3.924,978 7.231,979 -0.132,980 8.877,981 1.562,982 5.861,983 7.026,984 0.05,985 10.65,986 5.706,987 8.613,988 -0.8,989 10.668,990 -0.349,991 6.524,992 7.791,994 12.668,995 6.391,996 10.027,997 -1,998 12.503,999 -2.178,1000 7.92,1001 9.624,1002 0.008,1003 15.26,1004 7.744,1005 11.463,1006 -1,1007 14.366,1008 -2.435,1009 8.893,1010 10.769,1012 17.542,1013 8.731,1014 12.914,1015 -1,1016 16.251,1017 -3,1018 10.14,1019 12.39,1020 0.001,1021 20.024,1022 9.952,1023 3.328,1024 -1.278,1025 18.149,1026 -3,1027 11.236,1028 13.714,1030 22.401,1031 11.05,1032 3.055,1033 11.7,1034 20.059,1035 -3.812,1036 12.434,1037 15.248,1039 24.851,1040 12.231,1041 2.49,1042 10.258,1043 21.976,1044 4.46,1045 13.58,1046 16.656,1048 27.266,1049 13.371,1050 2,1051 7.383,1052 23.9,1053 3.911,1054 14.764,1055 18.156,1057 29.709,1058 14.541,1059 1.548,1060 5.964,1061 25.83,1062 3.081,1063 15.931,1064 19.604,1066 32.141,1067 15.698,1068 1.358,1069 4.083,1070 27.763,1071 2.773,1072 17.113,1073 21.092,1075 34.584,1076 16.867,1077 1,1078 3.625,1079 29.7,1080 2.321,1081 18.29,1082 22.558,1084 37.024,1085 18.032,1086 3200,1087 4899,1088 13.811,1089 24.995,1090 32.934,1091 32.116,1092 32.196,1093 32.064,1094 32.203,1095 43.405,1096 0.8,1097 97.119,1098 30.414,1099 5.304,1100 5.55,1101 6.68,1102 5.429,1103 5.328,1104 7.46,1105 0.8,1106 18.734,1107 5.278,1108 9.029,1109 1.568,1110 1.529,1111 1.533,1112 1.527,1113 1.533,1114 2.067,1115 0.038,1116 4.625,1117 1.448,1118 4.121,1119 4.157,1120 4.236,1121 4.035,1122 5.002,1123 4.038,1124 3.896,1125 3.929,1126 4.046,1127 3.86,1128 4.822,1129 3.81,1130 3.518,1131 3.578,1132 3.502,1133 3.434,1134 4.327,1135 3.377,1136 3.381,1137 3.436,1138 3.3,1139 3.265,1140 4.197,1141 3.256,1142 3.015,1143 3.083,1144 2.939,1145 2.864,1146 3.875,1147 2.867,1148 2.874,1149 3.009,1150 2.499,1151 2.618,1152 3.467,1153 2.57,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.565,1161 2.666,1162 2.446,1163 2.364,1164 3.411,1165 2.361,1166 0.216,1167 0.169,1168 0.339,1169 0.205,1170 0.158,1171 4.526,1172 0.212,1173 3.55,1174 0.019,1175 7.118,1176 0.557,1177 4.311,1178 0.156,1179 3.328,1180 4.46,1181 0.4,1182 11.7,1183 3.278,1184 1.934,1185 1.91,1186 2.015,1187 2.025,1188 1.208,1189 2.024,1190 1.777,1191 1.73,1192 1.987,1193 1.914,1194 1.155,1195 1.942,1196 1.49,1197 1.429,1198 1.658,1199 1.709,1200 0.663,1201 1.7,1202 1.272,1203 1.271,1204 1.417,1205 1.416,1206 0.516,1207 1.419,1208 1.112,1209 1.045,1210 1.417,1211 1.253,1212 0.469,1213 1.309,1214 1.015,1215 0.958,1216 1.284,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.231,1223 1.239,1224 0.313,1225 1.308,1226 0.934,1227 0.804,1228 1.216,1229 1.188,1230 0.272,1231 1.208,1232 3.761,1233 5.118,1234 3.045,1235 6.645,1236 5.283,1237 8.251,1238 7.298,1239 9.898,1241 6.538,1248 3.413,1253 0.094,1257 22.939,1258 53.272,1259 127.323,1260 142.833,1261 150.833,1262 152.833,1263 152.833,1264 21.517,1265 6.583,1266 40.71,1267 68.95,1268 16,1269 12.221,1270 4,1271 3.087,1272 27.883,1273 56,1274 41,1275 0.254,1276 146.425,1277 233.95,1278 349.037,1279 5537,1281 13.458,1282 0.708,1283 0.639,1284 13.811,1285 12.136,1286 9.038,1287 0.43,1288 0.343,1289 6.358,1290 8.397,1291 5.962,1292 5.05,1293 9.492,1294 7.21,1295 9.024,1296 0.291,1297 0.21,1298 9.601,1299 6.515,1300 6.875,1301 0.176,1302 0.099,1303 7.504,1304 3.867,1305 5.697,1306 0.114,1307 0.059,1308 6.517,1309 2.935,1310 4.083,1311 0.074,1312 0.033,1313 4.718,1314 1.791,1315 0.39,1316 60.039,1317 0.269,1318 18.837,1319 0.716,1320 104,1321 237.171,1322 133.279,1323 261.843,1324 370.67,1325 246,1326 122,1327 272.442,1328 146.979,1329 296.639,1330 431.89,1331 277,1332 6.31}
{0 CHEMBL207589,1 1.415,2 7.947,3 4.698,4 22.068,5 81.413,6 7.669,7 0.762,8 3.638,9 3.754,10 3.309,11 3.323,12 4.679,13 3.241,14 4.133,15 4.296,16 3.673,17 3.689,18 5.106,19 3.588,20 4.339,21 4.55,22 3.59,23 3.747,24 5.26,25 3.618,26 4.376,27 4.616,28 3.572,29 3.725,30 5.261,31 3.552,32 4.231,33 4.46,34 3.408,35 3.596,36 5.081,37 3.387,38 3.964,39 4.191,40 3.265,41 3.375,42 4.866,43 3.212,44 3.859,45 4.083,46 3.011,47 3.288,48 4.692,49 3.12,50 3.764,51 3.968,52 2.688,53 3.176,54 4.587,55 3.001,56 0.034,57 0.479,58 7.491,59 3.323,60 6.854,61 4.365,62 0.112,63 0.808,64 14.847,65 5.717,66 12.081,67 7.59,68 0.105,69 0.965,70 17.709,71 7.021,72 17.102,73 9.327,74 0.145,75 1.025,76 20.566,77 7.579,78 21.091,79 9.691,80 0.129,81 0.913,82 23.117,83 7.941,84 16.361,85 9.004,86 0.117,87 0.699,88 14.873,89 5.096,90 14.188,91 6.155,92 0.071,93 0.584,94 13.362,95 5.11,96 10.263,97 6.344,98 0.038,99 0.498,100 9.39,101 4.243,102 8.354,103 5.802,104 6,105 29,106 0.258,107 0.584,108 0.691,109 0.773,110 0.822,111 0.843,112 3.011,113 1.046,114 -5.13,115 -5.02,116 -4.7,119 45.7,120 2,122 1,138 7,139 2,140 1,142 1,147 1,155 1,163 11,166 2,169 1,171 3,172 12,176 2,181 3,183 10,187 2,192 4,194 9,198 3,203 3,205 5,209 3,217 5,221 1,227 8,238 9,249 7,252 405,253 12.93,254 12.93,255 12.93,256 12.93,257 12.93,258 11.074,259 14.338,260 7.687,261 13.241,262 10.383,263 10.383,264 10.383,265 10.383,266 10.383,267 7.613,268 22.359,269 3.643,270 10.92,271 3.714,272 1.923,273 1.333,274 0.886,275 0.615,276 0.5,277 3.691,282 1,283 1,284 326,285 2.55,287 46.482,288 87.72,292 75.166,295 1.119,296 7.359,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 39,308 151,309 4.502,310 3.137,311 6.515,312 4.034,313 3.052,314 4.433,315 0.4,316 10.244,317 3.008,318 4.175,319 3.003,320 5.999,321 3.77,322 2.832,323 3.775,325 8.566,326 2.667,327 3.572,328 2.476,329 5.376,330 3.225,331 2.291,332 2.929,334 6.831,335 2.138,336 3.294,337 1.997,338 4.986,339 2.869,340 1.929,341 2.513,343 5.633,344 1.776,345 3.118,346 1.618,347 4.148,348 2.618,349 1.618,350 2.427,352 3.773,353 1.618,354 2.768,355 1.282,356 3.686,357 2.272,358 1.274,359 1.901,361 2.86,362 1.271,363 2.443,364 1.19,365 3.583,366 2.094,367 1.143,368 1.427,370 2.692,371 1.078,372 2.288,373 0.889,374 3.308,375 1.834,376 0.855,377 1.203,379 2.02,380 0.833,381 2.097,382 0.663,383 3.253,384 1.461,385 0.659,386 0.942,388 1.605,389 0.519,390 1.305,391 0.079,392 2.757,393 0.911,394 -0.039,395 -0.051,397 -0.102,398 -0.037,399 0.882,400 -0.58,401 2.321,402 0.382,403 -0.618,404 -0.905,406 -1.478,407 -0.618,408 0.734,409 -0.618,410 2,411 0.302,412 -0.665,413 -0.927,415 -1.748,416 -0.641,417 0.401,418 -0.936,419 1.928,421 -1,422 -1,424 -2,425 -0.993,426 0.058,427 -1,428 1.772,429 -0.057,430 -1.035,431 -1.398,433 -2.587,434 -1,436 -1.07,437 1.461,438 -0.375,439 -1.276,440 -1.577,442 -3.666,443 -1.078,444 9.633,445 0.507,446 0.435,447 0.023,448 26,449 1.368,450 14.5,451 0.763,452 11.5,453 0.605,454 13.934,455 0.733,456 19.167,457 0.548,458 14.613,459 0.769,460 4.737,461 0.249,462 4.501,463 0.237,464 0.104,466 0.311,472 0.947,473 1.031,474 0.764,475 0.834,476 1.051,477 0.856,478 0.608,479 1.117,480 0.842,481 1.011,482 0.698,483 0.917,484 1.157,485 1.117,486 0.863,487 0.936,488 1.009,489 0.986,490 1.509,491 0.977,492 1.007,493 0.906,494 1.336,495 0.953,496 1.476,497 1.197,498 1.714,499 1.416,500 1.001,501 1.092,502 1.935,503 0.838,504 1.257,505 0.92,506 1.341,507 0.864,508 0.984,509 0.865,510 1.231,511 1.076,512 0.943,513 0.958,514 0.602,515 1.12,516 1.036,517 1.206,518 1.042,519 1.35,520 3.5,521 0.025,522 2,523 1.16,524 0.886,525 0.288,526 0.233,527 0.215,528 0.14,529 0.076,530 3290,531 7362,532 2.113,533 45.7,534 6,535 7,536 1,538 1,539 1,542 1.602,543 2,544 3.01,545 -0.353,550 49.525,551 1.415,552 3.206,553 3.796,554 4.243,555 4.515,556 4.629,557 2.439,558 4.037,559 4.222,560 3.125,561 534.403,562 7.185,563 5209.29,565 1,568 179.525,569 1.324,570 4.189,571 0.167,572 0.012,573 0.069,574 0.043,575 0.039,576 0.015,577 0.014,578 0.014,579 0.013,580 0.011,581 0.396,582 0.83,583 1,584 0.789,585 82.027,586 -0.003,587 -0.005,588 0.072,589 0.062,590 -0.147,591 0.047,592 0.383,593 -0.106,594 0.105,595 -0.057,596 0.213,597 0.018,598 -0.035,599 -0.122,600 -0.02,601 -0.056,602 0.016,603 -0.059,604 -0.171,605 0.061,606 0.008,607 0.061,608 -0.176,609 -0.009,610 -0.16,611 -0.115,612 -0.226,613 -0.165,614 0.018,615 -0.087,616 -0.353,617 0.276,618 -0.053,619 0.142,620 -0.154,621 0.078,622 -0.141,623 0.11,624 -0.123,625 -0.009,626 0.005,627 0.04,628 -0.168,629 -0.251,630 -0.318,631 -0.344,632 -0.285,633 -0.386,634 0.862,635 1.619,636 0.789,637 11.701,638 0.985,639 1.109,640 3.895,641 15.173,642 0.714,643 3.091,644 3.401,645 3.664,646 3.912,647 4.078,648 4.078,649 4.143,650 4.263,651 4.317,652 4.159,653 4.861,654 0.655,655 268.41,656 3.091,657 4.615,658 5.46,659 6.33,660 7.192,661 8.066,662 8.933,663 9.808,664 10.678,665 11.553,666 5.7,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 35,705 16,706 2,707 21,709 37,710 16,711 13,712 3,713 7,717 3,718 4,721 2,729 13,730 3,731 1,744 1,747 16,748 2,749 1,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 2,805 19,811 1,814 1,819 1,832 9.5,833 6.867,834 4.167,835 2.169,836 3.18,837 1.481,838 1.01,839 3.409,840 9.797,841 3.401,842 4.039,843 4.667,844 5.279,845 5.758,846 6.009,847 6.398,848 6.83,849 7.222,850 7.207,851 1,852 27,853 6.997,854 2.902,855 7.447,856 13.758,857 11.303,859 1.947,860 37,861 0.002,864 176.567,865 134.071,866 34.796,870 31.278,871 102.793,872 176.567,873 34.796,874 17.65,876 73.983,877 16.786,878 29.171,879 11.771,880 196.073,882 176.567,883 137.59,885 31.278,887 176.567,891 38.919,892 81.885,893 16.786,894 31.278,895 176.567,896 34.796,897 134.071,900 176.567,901 42.438,902 91.633,903 18.011,904 16.786,905 176.567,906 34.796,907 134.071,909 0.579,910 0.338,911 0.182,912 0.096,913 15,914 6,915 0.081,916 3,917 1,918 1.133,919 3.19,920 139.828,921 0.133,922 15,923 76.711,924 1,928 12.462,929 5.198,930 2.577,931 2.472,932 34.796,933 16.804,934 4.619,937 1.659,938 3.218,940 18.011,941 345.434,942 29,952 34.465,953 38.823,954 0.276,955 0.625,956 0.74,957 0.827,958 0.88,959 0.902,960 4.605,961 0.855,962 5.434,963 2.692,964 4.078,965 4.723,966 0.278,967 6.225,968 3.988,969 5.817,970 0.659,971 6.978,972 2.02,973 3.611,974 4.477,976 7.086,977 3.503,978 7.12,979 -0.039,980 8.624,981 1.605,982 5.645,983 6.983,984 0.05,985 10.173,986 5.486,987 8.464,988 -0.618,989 10.331,990 -0.102,991 6.019,992 7.625,994 11.879,995 5.838,996 9.841,997 -0.665,998 12.076,999 -1.478,1000 7.505,1001 9.549,1002 0.008,1003 14.46,1004 7.292,1005 11.243,1006 -1,1007 13.847,1008 -1.748,1009 8.263,1010 10.621,1012 16.509,1013 8.033,1014 12.664,1015 -1.035,1016 15.638,1017 -2,1018 9.523,1019 12.292,1020 0.001,1021 18.917,1022 9.27,1023 3.052,1024 -1.276,1025 17.442,1026 -2.587,1027 10.462,1028 13.575,1030 21.113,1031 10.194,1032 2.832,1033 10.244,1034 19.256,1035 -3.666,1036 11.625,1037 15.135,1039 23.46,1040 11.339,1041 2.291,1042 8.566,1043 21.078,1044 4.433,1045 12.649,1046 16.521,1048 25.722,1049 12.348,1050 1.929,1051 6.831,1052 22.907,1053 3.775,1054 13.772,1055 18.033,1057 28.048,1058 13.457,1059 1.618,1060 5.633,1061 24.742,1062 2.929,1063 14.835,1064 19.468,1066 30.339,1067 14.507,1068 1.274,1069 3.773,1070 26.581,1071 2.513,1072 15.943,1073 20.961,1075 32.66,1076 15.602,1077 1.143,1078 2.86,1079 28.424,1080 2.427,1081 17.025,1082 22.42,1084 34.966,1085 16.672,1086 3213,1087 4917,1088 14.216,1089 24.989,1090 31.656,1091 31.26,1092 31.994,1093 31.212,1094 31.306,1095 43.102,1096 0.8,1097 88.446,1098 29.814,1099 5.276,1100 5.137,1101 6.204,1102 5.142,1103 5.052,1104 7.433,1105 0.8,1106 17.085,1107 5.008,1108 7.587,1109 1.507,1110 1.489,1111 1.524,1112 1.486,1113 1.491,1114 2.052,1115 0.038,1116 4.212,1117 1.42,1118 4.091,1119 4.114,1120 4.23,1121 4.048,1122 4.943,1123 4.042,1124 3.866,1125 3.896,1126 4.013,1127 3.841,1128 4.795,1129 3.78,1130 3.495,1131 3.552,1132 3.402,1133 3.399,1134 4.344,1135 3.386,1136 3.403,1137 3.457,1138 3.352,1139 3.326,1140 4.116,1141 3.269,1142 3.078,1143 3.134,1144 3.001,1145 2.977,1146 3.906,1147 2.966,1148 2.874,1149 3.009,1150 2.568,1151 2.618,1152 3.55,1153 2.57,1154 2.714,1155 2.805,1156 2.526,1157 2.578,1158 3.467,1159 2.564,1160 2.656,1161 2.717,1162 2.499,1163 2.496,1164 3.406,1165 2.494,1166 0.214,1167 0.149,1168 0.31,1169 0.192,1170 0.145,1171 4.502,1172 0.211,1173 3.137,1174 0.019,1175 6.515,1176 0.488,1177 4.034,1178 0.143,1179 3.052,1180 4.433,1181 0.4,1182 10.244,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.711,1191 1.659,1192 1.939,1193 1.863,1194 1.156,1195 1.892,1196 1.499,1197 1.46,1198 1.668,1199 1.627,1200 0.708,1201 1.645,1202 1.289,1203 1.276,1204 1.417,1205 1.432,1206 0.523,1207 1.443,1208 1.115,1209 1.059,1210 1.346,1211 1.257,1212 0.469,1213 1.31,1214 0.976,1215 0.926,1216 1.271,1217 1.239,1218 0.387,1219 1.308,1220 0.934,1221 0.804,1222 1.108,1223 1.101,1224 0.205,1225 1.142,1226 0.69,1227 0.638,1228 0.948,1229 0.839,1230 0.06,1231 0.879,1232 3.761,1233 5.069,1234 2.398,1235 6.572,1236 4.595,1237 8.166,1238 6.581,1239 9.807,1241 4.327,1248 3.43,1251 0.472,1257 22.918,1258 49.525,1259 112.222,1260 132.854,1261 148.505,1262 158.015,1263 162.015,1264 19.904,1265 6.617,1266 24.92,1267 53.16,1268 17,1269 12.093,1270 4.087,1271 3.17,1272 27.833,1273 55,1274 50,1275 0.253,1276 146.295,1277 237.61,1278 348.721,1279 5914,1281 13.242,1282 0.697,1283 0.625,1284 13.596,1285 11.868,1286 9.237,1287 0.44,1288 0.349,1289 6.486,1290 8.665,1291 6.153,1292 5.188,1293 9.691,1294 7.32,1295 8.318,1296 0.287,1297 0.198,1298 8.896,1299 5.742,1300 6.884,1301 0.181,1302 0.103,1303 7.523,1304 3.921,1305 5.726,1306 0.117,1307 0.06,1308 6.508,1309 2.943,1310 4.479,1311 0.077,1312 0.033,1313 5.07,1314 1.905,1315 0.388,1316 60.781,1317 0.265,1318 18.881,1319 0.717,1320 100,1321 228.838,1322 127.558,1323 254.267,1324 360.83,1325 240,1326 117,1327 262.47,1328 139.981,1329 285.5,1330 416.62,1331 269,1332 6.77}
{0 CHEMBL207642,1 1.295,2 12.063,3 8.165,4 66.674,5 137.281,6 6.489,7 0.444,8 4.294,9 4.43,10 3.798,11 3.904,12 5.135,13 3.815,14 4.906,15 5.104,16 4.145,17 4.34,18 5.66,19 4.211,20 5.246,21 5.513,22 4.107,23 4.479,24 5.891,25 4.296,26 5.306,27 5.608,28 4.085,29 4.437,30 5.911,31 4.236,32 5.181,33 5.458,34 4.145,35 4.418,36 5.848,37 4.234,38 5.217,39 5.486,40 4.189,41 4.486,42 5.867,43 4.286,44 5.228,45 5.489,46 4.183,47 4.501,48 5.903,49 4.302,50 5.261,51 5.539,52 4.059,53 4.468,54 5.882,55 4.235,56 0.084,57 0.99,58 17.514,59 7.288,60 9.842,61 10.203,62 0.236,63 1.738,64 33.734,65 12.659,66 19.139,67 18.155,68 0.287,69 2.231,70 45.16,71 17.591,72 26.333,73 25.049,74 0.332,75 2.311,76 50.077,77 17.924,78 28.933,79 25.647,80 0.333,81 2.126,82 45.127,83 16.224,84 28.248,85 22.699,86 0.283,87 2.21,88 49.978,89 18.47,90 26.068,91 24.662,92 0.302,93 2.251,94 49.742,95 18.19,96 28.043,97 24.607,98 0.307,99 2.276,100 53.445,101 19.408,102 27.365,103 25.674,105 48,106 0.204,107 0.466,108 0.609,109 0.702,110 0.749,111 0.758,112 3.502,113 1.136,114 -6.91,115 -6.72,116 -6.22,119 40.6,121 10,122 2,125 3,138 7,139 2,140 1,142 1,147 1,155 1,163 21,166 3,169 1,171 3,172 23,175 1,176 4,181 3,183 15,187 7,192 3,194 8,198 7,201 1,203 1,205 9,209 7,217 13,221 7,226 2,227 15,231 5,236 4,238 12,242 3,247 4,249 10,252 1852,253 22.447,254 22.447,255 22.447,256 22.447,257 22.447,258 20.566,259 19.714,260 13.794,261 22.851,262 17.898,263 17.898,264 17.898,265 17.898,266 17.898,267 15.122,268 32.646,269 6.684,270 18.6,271 4.813,272 3.152,273 2.248,274 1.66,275 1.362,276 1.304,277 4.218,283 1,284 859,285 3.24,287 91.005,288 413.537,292 154.092,295 1.809,296 10.23,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 65.5,308 386,309 4.502,310 3.134,311 6.515,312 4.033,313 3.05,314 4.433,315 0.916,316 10.243,317 3.008,318 4.126,319 3.049,320 5.789,321 3.757,322 2.817,323 3.737,324 0.4,325 8.333,326 2.667,327 3.726,328 2.74,329 5.585,330 3.561,331 2.634,332 2.919,333 0.172,334 7.7,335 2.468,336 3.512,337 2.481,338 5.33,339 3.471,340 2.473,341 2.729,343 6.953,344 2.431,345 3.473,346 2.375,347 5.237,348 3.165,349 2.21,350 2.473,352 6.51,353 2.106,354 3.208,355 2.122,356 4.953,357 2.959,358 2.007,359 2.427,361 5.736,362 1.892,363 3.118,364 1.838,365 4.622,366 2.619,367 1.684,368 2.349,370 4.843,371 1.618,372 2.91,373 1.618,374 4.133,375 2.618,376 1.618,377 1.954,379 3.755,380 1.556,381 2.766,382 1.472,383 3.618,384 2.461,385 1.463,386 1.895,388 3.098,389 1.46,390 2.463,391 1.361,392 3.592,393 2.305,394 1.323,395 1.463,397 2.93,398 1.295,399 2.369,400 1.272,401 3.547,402 2.265,403 1.268,404 1.353,406 2.824,407 1.263,408 2.322,409 1,410 3.344,411 2,412 1,413 1.271,415 2.136,416 1,417 2.194,418 1,419 3.268,420 2,421 1,422 1.054,424 2.136,425 1,426 2,427 0.965,428 3.247,429 1.872,430 0.902,431 1,433 2.115,434 0.87,435 2,436 0.754,437 3.247,438 1.528,439 0.721,440 1,442 1.727,443 0.57,444 16.033,445 0.501,446 0.512,447 0.016,448 34.25,449 1.07,450 14.5,451 0.453,452 19.75,453 0.617,454 37,455 1.156,456 34.967,457 0.507,458 19.961,459 0.624,460 5.302,461 0.166,462 10.529,463 0.329,466 0.243,472 0.982,473 1.237,474 0.895,475 1.029,476 0.815,477 1.038,478 1.069,479 1.211,480 1.016,481 1.115,482 0.746,483 1.108,484 0.975,485 1.096,486 0.897,487 0.993,488 0.787,489 1.041,490 1.161,491 0.975,492 0.854,493 0.865,494 0.718,495 0.864,496 1.455,497 0.878,498 0.951,499 0.837,500 1.15,501 0.875,502 1.167,503 1.013,504 1.18,505 1.056,506 0.954,507 0.949,508 1.386,509 1.044,510 1.22,511 1.081,512 1.383,513 1.024,514 1.269,515 1.102,516 1.38,517 1.214,518 1.231,519 1.073,520 5,521 0.12,522 1.778,523 1.882,524 0.858,525 0.74,526 0.434,527 0.299,528 0.21,529 0.153,530 15935,531 26703,532 2.213,533 53.6,534 20,535 13,536 1,538 1,540 2,542 1.747,543 2.182,544 3.532,545 -0.465,550 89.378,551 1.295,552 2.957,553 3.861,554 4.449,555 4.746,556 4.804,557 2.865,558 4.101,559 4.974,560 3.756,561 1863.07,562 8.709,563 28269.5,568 421.488,569 0.811,570 4.975,571 0.139,572 0.004,573 0.037,574 0.042,575 0.02,576 0.017,577 0.009,578 0.007,579 0.006,580 0.005,581 0.286,582 0.5,583 0.75,585 169.421,586 0.072,587 -0.056,588 0.09,589 0.037,590 0.185,591 0.043,592 0.117,593 -0.098,594 -0.015,595 -0.094,596 0.205,597 -0.08,598 0.074,599 -0.101,600 -0.011,601 -0.063,602 0.14,603 -0.063,604 0.069,605 -0.003,606 0.105,607 0.066,608 0.203,609 0.084,610 -0.034,611 0.16,612 0.085,613 0.136,614 0.024,615 0.087,616 -0.015,617 0.022,618 0.029,619 0.043,620 0.114,621 0.053,622 -0.119,623 0.009,624 -0.047,625 -0.01,626 -0.106,627 -0.03,628 -0.097,629 -0.074,630 -0.117,631 -0.094,632 -0.131,633 -0.076,634 0.661,635 2.004,636 0.844,637 33.391,638 0.977,639 1.123,640 5.679,641 32.256,642 0.661,643 3.611,644 3.892,645 4.143,646 4.419,647 4.605,648 4.615,649 4.771,650 4.913,651 5.024,652 5.05,653 7.514,654 0.597,655 447.75,656 3.611,657 5.13,658 5.964,659 6.821,660 7.667,661 8.531,662 9.383,663 10.249,664 11.104,665 11.973,666 4.3,669 1,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 69,705 16,706 2,707 36,709 73,710 28,711 13,712 3,713 7,717 5,718 6,724 10,725 2,727 10,729 13,730 15,731 2,747 37,748 3,749 1,750 4,751 1,755 3,760 0.8,775 1,776 4,780 1,792 1,796 4,799 1,805 32,810 13,811 1,814 2,815 1,819 1,832 14.667,833 11.9,834 7.056,835 4.844,836 3.191,837 1.403,838 1.001,839 7.634,840 11.113,841 3.807,842 4.327,843 4.863,844 5.432,845 5.882,846 6.128,847 6.549,848 6.952,849 7.339,850 7.381,851 0.875,852 45,853 11.937,854 5.041,855 7.245,856 24.532,857 21.348,859 1.745,860 55.833,864 423.76,865 148.083,866 37.921,870 31.278,871 116.805,872 423.76,873 37.921,875 31.662,876 73.983,877 16.786,878 32.295,879 11.771,880 443.266,882 423.76,883 154.726,885 31.278,887 400.217,888 23.542,891 56.055,892 81.885,893 16.786,894 31.278,895 423.76,896 37.921,897 148.083,900 423.76,901 74.1,902 77.107,903 18.011,904 16.786,905 423.76,906 37.921,907 148.083,909 0.566,910 0.323,911 0.184,912 0.098,913 23,914 8,915 0.11,916 8,917 1,918 1.074,919 4.532,920 290.248,921 0.074,922 27,923 133.245,924 1,928 22.195,929 11.007,930 6.053,931 2.517,932 37.921,933 17.266,934 5.004,937 1.738,938 3.376,940 18.011,941 609.763,942 44,952 67.403,953 77.473,954 0.212,955 0.484,956 0.632,957 0.728,958 0.777,959 0.786,960 5.03,961 1.618,962 5.9,963 4.843,964 4.575,965 5.014,966 1.038,967 6.64,968 4.502,969 6.168,970 1.463,971 7.398,972 3.755,973 3.892,974 4.605,975 0.325,976 7.334,977 3.775,978 7.43,979 1.323,980 8.994,981 3.098,982 6.089,983 7.116,984 0.697,985 10.45,986 5.949,987 8.726,988 1.268,989 10.651,990 2.93,991 6.275,992 7.672,993 0.393,994 12.034,995 6.086,996 10.062,997 1,998 12.349,999 2.824,1000 7.865,1001 9.594,1002 0.537,1003 14.617,1004 7.666,1005 11.426,1006 1,1007 14.077,1008 2.136,1009 8.486,1010 10.629,1011 0.384,1012 16.594,1013 8.245,1014 12.813,1015 0.902,1016 15.827,1017 2.136,1018 9.798,1019 12.298,1020 0.438,1021 18.993,1022 9.549,1023 3.05,1024 0.721,1025 17.595,1026 2.115,1027 10.645,1028 13.568,1029 0.351,1030 21.152,1031 10.365,1032 2.817,1033 10.243,1034 19.376,1035 1.727,1036 11.828,1037 15.127,1038 0.366,1039 23.489,1040 11.538,1041 2.634,1042 8.333,1043 21.17,1044 4.433,1045 12.793,1046 16.509,1047 0.312,1048 25.733,1049 12.48,1050 2.473,1051 7.7,1052 22.974,1053 3.737,1054 13.918,1055 18.021,1056 0.309,1057 28.053,1058 13.596,1059 2.21,1060 6.953,1061 24.786,1062 2.919,1063 14.943,1064 19.455,1065 0.273,1066 30.337,1067 14.605,1068 2.007,1069 6.51,1070 26.607,1071 2.729,1072 16.045,1073 20.949,1074 0.262,1075 32.654,1076 15.697,1077 1.684,1078 5.736,1079 28.434,1080 2.473,1081 17.102,1082 22.408,1083 0.236,1084 34.958,1085 16.742,1086 14584,1087 19186,1088 25.424,1089 45.609,1090 52.92,1091 52.542,1092 52.846,1093 52.357,1094 52.397,1095 64.181,1096 2.978,1097 142.233,1098 50.461,1099 5.502,1100 5.134,1101 6.317,1102 5.151,1103 5.05,1104 7.433,1105 1.605,1106 17.084,1107 5.008,1109 1.47,1110 1.46,1111 1.468,1112 1.454,1113 1.455,1114 1.783,1115 0.083,1116 3.951,1117 1.402,1118 4.096,1119 4.122,1120 4.23,1121 4.051,1122 4.944,1123 4.044,1124 3.951,1125 4.005,1126 4.013,1127 3.855,1128 4.793,1129 3.83,1130 3.843,1131 3.902,1132 3.798,1133 3.772,1134 4.361,1135 3.721,1136 3.809,1137 3.841,1138 3.694,1139 3.74,1140 4.33,1141 3.715,1142 3.498,1143 3.567,1144 3.389,1145 3.387,1146 4.237,1147 3.378,1148 3.443,1149 3.494,1150 3.358,1151 3.305,1152 4.021,1153 3.289,1154 3.191,1155 3.274,1156 3.013,1157 3.046,1158 3.911,1159 3.02,1160 3.123,1161 3.206,1162 2.982,1163 2.998,1164 3.583,1165 2.994,1166 0.125,1167 0.087,1168 0.181,1169 0.112,1170 0.085,1171 4.502,1172 0.123,1173 3.134,1174 0.025,1175 6.515,1176 0.285,1177 4.033,1178 0.084,1179 3.05,1180 4.433,1181 0.916,1182 10.243,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.535,1189 2.138,1190 1.92,1191 1.865,1192 2.132,1193 2.07,1194 1.498,1195 2.093,1196 1.87,1197 1.815,1198 2.098,1199 2.009,1200 1.285,1201 2.043,1202 1.598,1203 1.541,1204 1.8,1205 1.794,1206 1.115,1207 1.804,1208 1.499,1209 1.46,1210 1.668,1211 1.629,1212 0.906,1213 1.646,1214 1.336,1215 1.3,1216 1.553,1217 1.51,1218 0.838,1219 1.528,1220 1.282,1221 1.239,1222 1.547,1223 1.424,1224 0.825,1225 1.471,1226 1.228,1227 1.151,1228 1.513,1229 1.401,1230 0.825,1231 1.439,1232 4.29,1233 5.58,1234 2.398,1235 7.06,1236 4.595,1237 8.626,1238 6.555,1239 10.236,1247 17.811,1248 3.592,1251 1.776,1252 2.753,1257 41.207,1258 89.378,1259 204.011,1260 266.379,1261 306.959,1262 327.488,1263 331.488,1264 42.883,1265 7.922,1266 28.16,1267 56.4,1268 29,1269 12.52,1270 4.087,1271 3.17,1272 45.622,1273 145,1274 124,1275 0.149,1276 253.411,1277 431.49,1278 610.083,1279 33548,1281 21.589,1282 0.675,1283 0.628,1284 21.943,1285 20.085,1286 15.832,1287 0.44,1288 0.379,1289 12.763,1290 15.161,1291 12.407,1292 10.313,1293 16.286,1294 13.628,1295 13.761,1296 0.287,1297 0.226,1298 14.339,1299 10.856,1300 11.459,1301 0.185,1302 0.133,1303 12.117,1304 8.257,1305 9.948,1306 0.121,1307 0.079,1308 10.644,1309 6.503,1310 7.916,1311 0.08,1312 0.048,1313 8.489,1314 4.772,1315 0.236,1316 100.96,1317 0.198,1318 30.166,1319 0.4,1320 168,1321 316.483,1322 197.64,1323 340.947,1324 484.41,1325 324,1326 194,1327 352.583,1328 219.84,1329 378.007,1330 553.22,1331 357,1332 7.627}
{0 CHEMBL207780,1 1.422,2 11.571,3 8.958,4 80.24,5 137.285,6 6.981,7 0.474,8 4.299,9 4.432,10 3.802,11 3.853,12 5.314,13 3.81,14 4.891,15 5.086,16 4.214,17 4.255,18 6.234,19 4.186,20 5.156,21 5.388,22 4.219,23 4.422,24 6.079,25 4.311,26 5.307,27 5.578,28 4.217,29 4.413,30 6.252,31 4.293,32 5.301,33 5.58,34 4.194,35 4.397,36 6.301,37 4.285,38 5.229,39 5.484,40 4.234,41 4.46,42 6.123,43 4.346,44 5.313,45 5.558,46 4.28,47 4.516,48 6.318,49 4.409,50 5.324,51 5.572,52 4.339,53 4.504,54 6.388,55 4.394,56 0.018,57 1.182,58 15.044,59 6.973,60 15.612,61 9.188,62 0.762,63 2.27,64 30.371,65 11.727,66 138.803,67 15.882,68 0.21,69 2.304,70 38.951,71 15.13,72 38.98,73 21.34,74 0.376,75 2.6,76 47.786,77 16.535,78 72.887,79 23.465,80 0.906,81 2.626,82 49.337,83 15.801,84 109.574,85 22.024,86 0.33,87 2.424,88 43.119,89 16.404,90 59.328,91 22.897,92 0.555,93 2.771,94 48.008,95 17.495,96 100.298,97 23.335,98 0.529,99 2.849,100 48.064,101 17.844,102 93.625,103 24.454,104 27,105 53,106 0.224,107 0.509,108 0.693,109 0.807,110 0.862,111 0.867,112 3.589,113 0.984,114 -7.51,115 -7.28,116 -6.73,119 42,120 2,121 5,122 1,125 3,131 1,138 10,139 4,140 1,142 1,143 1,163 20,166 4,169 1,171 3,172 20,175 1,176 6,181 4,183 12,187 7,192 3,194 5,198 8,201 1,205 11,209 6,217 21,221 6,226 2,227 25,231 5,236 4,238 20,242 2,247 4,249 14,252 2532,253 23.264,254 23.264,255 23.264,256 23.264,257 23.264,258 20.971,259 26.181,260 13.856,261 23.722,262 18.807,263 18.807,264 18.807,265 18.807,266 18.807,267 15.491,268 39.381,269 6.643,270 19.659,271 4.686,272 2.882,273 1.713,274 0.993,275 0.642,276 0.613,277 4.281,283 1,284 862,285 4.123,288 509.377,295 1.771,296 40.252,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 76,308 405,309 4.537,310 4.471,311 7.248,312 4.259,313 3.377,314 3.997,315 3.825,316 12.241,317 3.033,318 4.337,319 3.169,320 6.351,321 3.958,322 2.976,323 3.995,324 0.995,325 9.493,326 2.927,327 4.068,328 3.11,329 5.794,330 3.723,331 2.776,332 3.66,333 0.4,334 8.284,335 2.631,336 3.742,337 2.793,338 5.598,339 3.55,340 2.586,341 2.888,342 0.359,343 7.609,344 2.502,345 3.573,346 2.614,347 5.452,348 3.359,349 2.415,350 2.744,352 7.163,353 2.223,354 3.432,355 2.421,356 5.188,357 3.153,358 2.2,359 2.582,361 6.427,362 2.069,363 3.204,364 2.154,365 4.928,366 2.907,367 1.948,368 2.4,370 5.549,371 1.858,372 3.049,373 1.91,374 4.697,375 2.703,376 1.728,377 2.187,379 4.964,380 1.679,381 2.866,382 1.547,383 4.095,384 2.461,385 1.463,386 2.029,388 3.368,389 1.459,390 2.804,391 1.521,392 3.871,393 2.414,394 1.414,395 1.893,397 3.181,398 1.414,399 2.653,400 1.393,401 3.615,402 2.327,403 1.34,404 1.718,406 2.992,407 1.32,408 2.582,409 1.332,410 3.578,411 2.158,412 1.182,413 1.615,415 2.825,416 1.15,417 2.394,418 1.226,419 3.494,420 2.115,421 1.15,422 1.392,424 2.616,425 1.092,426 2,427 1,428 3.247,429 2,430 1,431 1,433 2.136,434 1,435 1.571,436 0.775,437 3.052,438 1.36,439 0.39,440 0.441,442 0.929,443 0.377,444 16.557,445 0.473,446 0.966,447 0.028,448 40,449 1.143,450 18.5,451 0.529,452 21.5,453 0.614,454 37.63,455 1.075,456 39.243,457 0.569,458 32.85,459 0.939,460 7.573,461 0.216,462 9.218,463 0.263,464 0.112,465 0.03,466 0.266,469 3,472 0.558,473 1.069,474 0.81,475 1.123,476 0.56,477 1.044,478 0.428,479 0.843,480 0.838,481 1.025,482 0.305,483 1.017,484 0.53,485 0.984,486 0.921,487 1.149,488 0.419,489 1.123,490 0.803,491 1.046,492 0.913,493 1.045,494 0.683,495 1.007,496 1.135,497 0.811,498 1.034,499 0.782,500 1.101,501 0.853,502 0.663,503 0.866,504 0.859,505 0.947,506 0.619,507 0.942,508 1.153,509 1.01,510 1.117,511 0.998,512 1.158,513 1.034,514 0.784,515 1.043,516 0.935,517 1.104,518 0.81,519 1.067,520 8,521 0.256,522 3.333,523 2.875,524 1.547,525 1.111,526 0.789,527 0.642,528 0.488,529 0.378,530 17518,531 43327,532 2.051,533 49.3,534 16,535 16,538 1,540 1,542 1.773,543 1.918,544 3.455,545 -0.43,550 98.123,551 1.422,552 3.227,553 4.395,554 5.115,555 5.467,556 5.496,557 2.803,558 4.879,559 5.104,560 3.721,561 2214.16,562 8.993,563 35306.9,568 421.488,569 1.513,570 5.053,571 0.211,572 0.007,573 0.063,574 0.054,575 0.031,576 0.022,577 0.014,578 0.011,579 0.009,580 0.008,581 0.43,582 0.5,583 0.75,584 0.694,585 188.825,586 -0.009,587 -0.062,588 0.04,589 -0.008,590 -0.063,591 0.018,592 0.419,593 0.19,594 0.095,595 0.012,596 0.487,597 -0.009,598 0.022,599 -0.155,600 -0.025,601 -0.153,602 0.05,603 -0.113,604 -0.006,605 -0.178,606 0.047,607 -0.097,608 0.037,609 -0.033,610 -0.03,611 0.191,612 -0.014,613 0.15,614 -0.065,615 0.09,616 -0.01,617 -0.02,618 0.064,619 0.042,620 -0.01,621 0.065,622 -0.134,623 0.023,624 -0.135,625 -0.003,626 -0.141,627 -0.051,628 0.087,629 -0.091,630 0.025,631 -0.111,632 0.047,633 -0.073,634 5.61,635 5.666,636 0.686,637 35.913,638 0.998,639 1.139,640 6.278,641 39.412,642 0.649,643 3.664,644 3.989,645 4.19,646 4.419,647 4.595,648 4.605,649 4.7,650 4.86,651 4.934,652 5.05,653 7.486,654 0.611,655 481.66,656 3.664,657 5.209,658 6.038,659 6.911,660 7.753,661 8.629,662 9.476,663 10.354,664 11.204,665 12.082,666 4.3,669 1,674 1,676 1,681 10,682 1,686 7,688 18,697 1,703 69,705 18,706 2,707 38,709 72,710 29,711 17,712 5,713 7,717 4,718 4,721 3,724 5,725 1,726 1,727 5,729 17,730 12,731 1,745 3,747 34,748 6,749 1,750 6,755 3,760 1,770 1,776 4,792 1,796 4,801 2,803 3,805 35,810 8,811 1,814 1,815 1,816 1,824 3,832 18.25,833 12.745,834 7.583,835 4.41,836 3.053,837 1.396,838 0.981,839 8.26,840 10.758,841 3.871,842 4.425,843 4.903,844 5.398,845 5.857,846 5.903,847 6.147,848 6.5,849 6.811,850 7.15,851 1,852 53,853 13.455,854 6.066,855 7.836,856 25.177,857 20.982,859 2.336,860 81.75,864 388.446,865 159.746,866 37.921,869 44.88,871 159.746,872 388.446,873 82.801,874 17.65,875 18.99,876 94.762,877 16.786,878 84.271,879 2.328,880 388.446,881 7.76,882 388.446,883 197.666,884 44.88,887 376.675,888 56.651,891 68.292,892 112.589,893 16.786,895 433.327,896 37.921,897 159.746,900 396.206,901 39.573,902 115.537,903 18.011,904 61.666,905 388.446,906 82.801,907 159.746,909 0.584,910 0.326,911 0.172,912 0.091,913 24,914 11,915 0.111,916 8,918 1,919 4.476,920 327.238,922 24,923 168.77,928 25.419,929 11.374,930 6.935,932 82.801,933 17.887,934 4.81,938 4.737,940 18.011,941 630.993,942 47,952 68.865,953 78.572,954 0.233,955 0.528,956 0.72,957 0.837,958 0.895,959 0.9,960 5.121,961 1.728,962 6.043,963 5.549,964 4.673,965 5.112,966 3.145,967 6.851,968 4.586,969 6.315,970 1.463,971 7.605,972 4.964,973 4.369,974 4.879,975 3.911,976 7.919,977 4.126,978 7.616,979 1.414,980 9.28,981 3.368,982 6.304,983 7.219,984 5.427,985 10.945,986 6.102,987 8.949,988 1.34,989 11.025,990 3.181,991 6.804,992 7.761,993 6.69,994 12.86,995 6.433,996 10.316,997 1.182,998 12.817,999 2.992,1000 8.253,1001 9.625,1002 8.058,1003 15.487,1004 7.898,1005 11.707,1006 1.15,1007 14.644,1008 2.825,1009 9.119,1010 10.547,1011 9.389,1012 17.748,1013 8.61,1014 13.116,1015 1,1016 16.499,1017 2.616,1018 10.387,1019 12.19,1020 10.734,1021 20.268,1022 9.855,1023 3.377,1024 0.39,1025 18.374,1026 2.136,1027 11.425,1028 13.313,1029 12.074,1030 22.67,1031 10.757,1032 2.976,1033 12.241,1034 20.268,1035 0.929,1036 12.63,1037 14.84,1038 13.416,1039 25.167,1040 11.906,1041 2.776,1042 9.493,1043 22.176,1044 3.997,1045 13.749,1046 16.072,1047 14.758,1048 27.627,1049 12.901,1050 2.586,1051 8.284,1052 24.095,1053 3.995,1054 14.936,1055 17.534,1056 16.1,1057 30.122,1058 14.01,1059 2.415,1060 7.609,1061 26.025,1062 3.66,1063 16.095,1064 18.829,1065 17.441,1066 32.606,1067 15.052,1068 2.2,1069 7.163,1070 27.964,1071 2.888,1072 17.282,1073 20.255,1074 18.783,1075 35.103,1076 16.145,1077 1.948,1078 6.427,1079 29.909,1080 2.744,1081 18.461,1082 21.585,1083 20.124,1084 37.597,1085 17.211,1086 16809,1087 26766,1088 25.137,1089 44.773,1090 56.61,1091 56.289,1092 57.129,1093 56.355,1094 56.057,1095 69.267,1096 11.158,1097 159.986,1098 53.628,1099 5.537,1100 6.471,1101 7.05,1102 5.318,1103 5.377,1104 6.997,1105 5.335,1106 19.758,1107 5.033,1108 17.997,1109 1.49,1110 1.481,1111 1.503,1112 1.483,1113 1.475,1114 1.823,1115 0.294,1116 4.21,1117 1.411,1118 4.025,1119 4.068,1120 3.965,1121 3.933,1122 8.513,1123 3.934,1124 3.946,1125 3.979,1126 3.896,1127 3.876,1128 7.999,1129 3.874,1130 3.873,1131 3.919,1132 3.789,1133 3.778,1134 7.999,1135 3.771,1136 3.83,1137 3.872,1138 3.723,1139 3.733,1140 4.914,1141 3.728,1142 3.491,1143 3.568,1144 3.377,1145 3.306,1146 4.705,1147 3.308,1148 3.316,1149 3.363,1150 3.31,1151 3.061,1152 4.697,1153 3.067,1154 3.214,1155 3.295,1156 3.06,1157 3.027,1158 4.302,1159 3.046,1160 3.173,1161 3.258,1162 2.982,1163 3.021,1164 4.079,1165 3.008,1166 0.119,1167 0.118,1168 0.191,1169 0.112,1170 0.089,1171 4.537,1172 0.105,1173 4.471,1174 0.101,1175 7.248,1176 0.322,1177 4.259,1178 0.08,1179 3.377,1180 3.997,1181 3.825,1182 12.241,1183 3.033,1184 1.958,1185 1.926,1186 2.121,1187 2.081,1188 1.518,1189 2.091,1190 1.939,1191 1.91,1192 2.065,1193 2.042,1194 1.229,1195 2.053,1196 1.883,1197 1.835,1198 2.031,1199 2,1200 1.199,1201 2.014,1202 1.819,1203 1.781,1204 1.941,1205 1.936,1206 1.065,1207 1.942,1208 1.464,1209 1.391,1210 1.701,1211 1.68,1212 0.949,1213 1.69,1214 1.229,1215 1.154,1216 1.565,1217 1.441,1218 0.825,1219 1.483,1220 1.205,1221 1.125,1222 1.54,1223 1.44,1224 0.737,1225 1.468,1226 1.167,1227 1.094,1228 1.513,1229 1.418,1230 0.632,1231 1.429,1232 4.344,1233 5.666,1235 7.175,1237 8.767,1239 10.398,1241 4.151,1243 40.998,1247 7.464,1248 3.408,1251 0.512,1252 2.143,1253 -4.36,1257 42.17,1258 98.123,1259 222.643,1260 303.275,1261 352.959,1262 377.224,1263 379.224,1264 79.109,1265 7.704,1266 28.16,1267 28.16,1268 24,1269 12.625,1270 4.248,1271 3.322,1272 59.101,1273 152,1274 151,1275 0.178,1276 257.006,1277 455.57,1278 618.854,1279 24152,1280 4.3,1281 24.838,1282 0.71,1283 0.587,1284 22.338,1285 20.536,1286 16.792,1287 0.442,1288 0.328,1289 12.321,1290 16.274,1291 11.978,1292 9.973,1293 15.581,1294 12.46,1295 15.756,1296 0.297,1297 0.183,1298 13.761,1299 9.715,1300 12.119,1301 0.186,1302 0.108,1303 11.386,1304 7.018,1305 9.996,1306 0.122,1307 0.061,1308 9.109,1309 4.986,1310 7.782,1311 0.079,1312 0.035,1313 7.249,1314 3.477,1315 0.28,1316 104.43,1317 0.199,1318 32.067,1319 0.492,1320 182,1321 597.956,1322 205.262,1323 509.163,1324 674.99,1325 474,1326 209,1327 478.183,1328 226.665,1329 473.039,1330 705.85,1331 443,1332 6.469}
{0 CHEMBL207801,1 1.44,2 7.056,3 3.774,4 14.245,5 77.109,6 7.949,7 0.8,8 3.559,9 3.669,10 3.271,11 3.248,12 4.624,13 3.172,14 4.045,15 4.211,16 3.638,17 3.602,18 5.037,19 3.516,20 4.184,21 4.366,22 3.612,23 3.686,24 5.141,25 3.572,26 4.267,27 4.462,28 3.517,29 3.711,30 5.174,31 3.551,32 4.231,33 4.446,34 3.445,35 3.64,36 5.128,37 3.475,38 4.183,39 4.426,40 3.26,41 3.526,42 5.027,43 3.313,44 4.009,45 4.301,46 2.806,47 3.225,48 4.746,49 2.993,50 3.527,51 3.795,52 2.087,53 2.75,54 4.265,55 2.512,56 0.024,57 0.436,58 6.432,59 2.945,60 5.845,61 3.801,62 0.125,63 0.758,64 13.484,65 4.903,66 10.448,67 6.311,68 0.088,69 0.835,70 13.772,71 5.648,72 12.788,73 7.354,74 0.121,75 0.937,76 20.73,77 7.475,78 14.551,79 8.668,80 0.109,81 0.872,82 16.443,83 6.464,84 14.868,85 8.247,86 0.091,87 0.813,88 17.813,89 7.029,90 16.32,91 8.827,92 0.094,93 0.673,94 16.957,95 6.315,96 14.482,97 7.927,98 0.041,99 0.391,100 8.601,101 3.574,102 8.067,103 4.794,104 5,105 28,106 0.267,107 0.573,108 0.703,109 0.794,110 0.849,111 0.872,112 2.962,113 1.016,114 -4.88,115 -4.78,116 -4.49,119 46.9,120 1,124 1,138 7,139 2,140 1,142 1,147 1,155 1,163 9,165 1,166 5,172 11,176 3,183 10,187 6,194 7,198 4,205 5,209 3,217 5,221 1,227 4,238 3,249 1,252 350,253 12.276,254 12.276,255 12.276,256 12.276,257 12.276,258 10.392,259 12.104,260 7.25,261 12.627,262 9.866,263 9.866,264 9.866,265 9.866,266 9.866,267 7.092,268 19.209,269 3.424,270 10.466,271 3.56,272 1.911,273 1.208,274 0.719,275 0.422,276 0.297,277 3.638,281 1,282 1,283 1,284 276,285 2.345,287 42.882,288 79.54,292 68.319,295 0.957,296 5.345,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 1,306 0.87,307 37,308 127,309 4.552,310 3.325,311 6.747,312 4.122,313 3.163,314 4.453,315 0.8,316 10.967,317 3.059,318 4.149,319 2.843,320 6.069,321 3.671,322 2.757,323 3.761,325 8.697,326 2.497,327 3.624,328 2.457,329 5.318,330 3.227,331 2.273,332 3.009,334 6.583,335 2.161,336 3.13,337 1.865,338 4.8,339 2.695,340 1.746,341 2.427,343 5.08,344 1.643,345 3.118,346 1.618,347 4.212,348 2.618,349 1.618,350 2.342,352 3.783,353 1.618,354 2.767,355 1.286,356 3.69,357 2.268,358 1.272,359 1.899,361 2.869,362 1.267,363 2.438,364 1.161,365 3.548,366 1.969,367 1.045,368 1.415,370 2.491,371 0.953,372 2.204,373 0.757,374 3.272,375 1.569,376 0.726,377 1.064,379 1.725,380 0.595,381 1.853,382 0.58,383 3.146,384 1.418,385 0.496,386 0.66,388 1.217,389 0.456,390 0.966,391 -0.365,392 2.404,393 0.519,394 -0.464,395 -0.635,397 -1.135,398 -0.455,399 0.882,400 -0.406,401 2.205,402 0.382,403 -0.618,404 -0.88,406 -1.478,407 -0.618,408 0.469,409 -0.618,410 2,411 0.164,412 -0.764,413 -0.927,415 -1.786,416 -0.686,417 0.434,418 -0.922,419 1.781,420 -0.012,421 -1,422 -1.363,424 -2.398,425 -0.985,426 0.035,427 -1.053,428 1.602,429 -0.353,430 -1.263,431 -1.529,433 -3.542,434 -1.138,435 -0.091,436 -1.456,437 1.367,438 -0.564,439 -1.544,440 -2.072,442 -4.382,443 -1.445,444 9.133,445 0.507,446 0.418,447 0.023,448 25.75,449 1.431,450 14.5,451 0.806,452 11.25,453 0.625,454 12.166,455 0.676,456 17.867,457 0.558,458 14.844,459 0.825,460 4.99,461 0.277,462 3.764,463 0.209,464 0.109,466 0.318,472 0.862,473 1.139,474 0.728,475 0.86,476 0.969,477 0.858,478 0.962,479 0.997,480 0.829,481 0.888,482 0.735,483 0.784,484 1.276,485 1.062,486 0.827,487 0.864,488 1.104,489 0.954,490 1.443,491 1.189,492 1.526,493 1.335,494 1.075,495 1.146,496 1.316,497 1.009,498 1.032,499 0.988,500 1.075,501 1.076,502 0.892,503 1.022,504 1.104,505 1.095,506 1.105,507 1.098,508 0.805,509 0.771,510 1.053,511 0.953,512 0.958,513 0.88,514 0.597,515 1.013,516 0.998,517 1.128,518 1.092,519 1.251,520 3,522 2.222,523 1.41,524 0.961,525 0.379,526 0.232,527 0.153,528 0.057,529 0.016,530 2667,531 6409,532 2.12,533 43.8,535 10,536 1,539 3,542 1.591,543 2,544 2.851,545 -0.818,547 1,548 1,550 46.094,551 1.44,552 3.089,553 3.792,554 4.281,555 4.578,556 4.703,557 2.213,558 3.837,559 4.146,560 2.909,561 445.013,562 7.054,563 4091.31,564 1,565 1,567 1,568 160,569 1.352,570 4.109,571 0.15,573 0.079,574 0.052,575 0.04,576 0.018,577 0.014,578 0.014,579 0.011,580 0.016,581 0.395,582 0.83,583 1,584 0.584,585 74.679,586 0.072,587 -0.14,588 0.083,589 0.005,590 -0.121,591 0.009,592 0.281,593 0.052,594 0.124,595 0.042,596 0.167,597 0.113,598 -0.115,599 -0.05,600 -0.004,601 -0.005,602 -0.124,603 -0.062,604 -0.249,605 -0.139,606 -0.315,607 -0.243,608 -0.128,609 -0.193,610 -0.217,611 -0.013,612 -0.104,613 -0.057,614 -0.125,615 -0.14,616 -0.048,617 -0.079,618 -0.047,619 -0.061,620 -0.055,621 -0.093,622 0.006,623 0.151,624 0.042,625 0.116,626 0.121,627 0.179,628 -0.06,629 -0.169,630 -0.177,631 -0.211,632 -0.17,633 -0.231,634 0.635,635 1.538,636 0.833,637 9.333,638 0.987,639 1.106,640 3.646,641 13.293,642 0.726,643 3.045,644 3.367,645 3.664,646 3.932,647 4.094,648 4.06,649 4.127,650 4.174,651 4.159,652 3.932,653 4.278,654 0.668,655 254.38,656 3.045,657 4.575,658 5.434,659 6.315,660 7.192,661 8.078,662 8.96,663 9.847,664 10.732,665 11.62,666 6.3,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,699 1,703 32,705 16,706 2,707 20,709 34,710 15,711 13,712 3,713 7,717 3,718 4,721 1,729 13,730 2,744 1,747 14,748 2,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 2,805 18,815 1,819 1,832 9,833 6.483,834 3.944,835 1.844,836 3.099,837 1.48,838 1.022,839 2.942,840 9.557,841 3.367,842 4.021,843 4.667,844 5.29,845 5.772,846 6.015,847 6.427,848 6.824,849 7.181,850 7.126,851 0.8,852 27,853 6.615,854 2.736,855 7.454,856 12.967,857 10.571,859 1.954,860 35.167,861 0.003,864 164.795,865 133.642,866 19.91,870 31.278,871 102.365,872 164.795,873 19.91,874 17.222,876 73.983,877 16.786,878 14.284,879 11.771,880 184.302,882 164.795,883 122.274,885 31.278,887 164.795,891 15.207,892 90.282,893 16.786,894 31.278,895 164.795,896 19.91,897 133.642,900 164.795,901 42.438,902 94.329,904 16.786,905 164.795,906 19.91,907 133.642,909 0.581,910 0.35,911 0.196,912 0.103,913 15,914 6,915 0.059,916 2,917 1,918 1.133,919 3.036,920 133.428,921 0.133,922 15,923 71.059,924 1,928 11.515,929 4.599,930 2.107,931 2.519,932 19.91,933 16.887,934 4.538,937 1.676,938 3.299,941 318.348,942 28,952 31.582,953 35.408,954 0.288,955 0.618,956 0.758,957 0.856,958 0.916,959 0.941,960 4.575,961 0.726,962 5.416,963 2.491,964 4.043,965 4.705,966 0.673,967 6.24,968 3.936,969 5.796,970 0.496,971 6.982,972 1.725,973 3.611,974 4.477,975 0.325,976 7.177,977 3.452,978 7.107,979 -0.464,980 8.653,981 1.217,982 5.638,983 6.981,984 0.379,985 10.312,986 5.434,987 8.461,988 -0.618,989 10.388,990 -1.135,991 6.066,992 7.64,993 0.268,994 12.108,995 5.797,996 9.849,997 -0.764,998 12.165,999 -1.478,1000 7.546,1001 9.559,1002 0.239,1003 14.755,1004 7.253,1005 11.261,1006 -1,1007 13.97,1008 -1.786,1009 8.363,1010 10.644,1011 0.188,1012 16.888,1013 8.013,1014 12.693,1015 -1.263,1016 15.795,1017 -2.398,1018 9.627,1019 12.313,1020 0.156,1021 19.372,1022 9.258,1023 3.163,1024 -1.544,1025 17.636,1026 -3.542,1027 10.62,1028 13.606,1029 0.125,1030 21.646,1031 10.207,1032 2.757,1033 10.967,1034 19.488,1035 -4.382,1036 11.801,1037 15.167,1038 0.102,1039 24.071,1040 11.367,1041 2.273,1042 8.697,1043 21.349,1044 4.453,1045 12.873,1046 16.56,1047 0.082,1048 26.407,1049 12.403,1050 1.746,1051 6.583,1052 23.217,1053 3.761,1054 14.023,1055 18.075,1056 0.066,1057 28.811,1058 13.531,1059 1.618,1060 5.08,1061 25.091,1062 3.009,1063 15.131,1064 19.516,1065 0.054,1066 31.176,1067 14.608,1068 1.272,1069 3.783,1070 26.969,1071 2.427,1072 16.272,1073 21.013,1074 0.043,1075 33.572,1076 15.725,1077 1.045,1078 2.869,1079 28.852,1080 2.342,1081 17.398,1082 22.478,1083 0.035,1084 35.951,1085 16.821,1086 2606,1087 4136,1088 13.523,1089 23.228,1090 30.471,1091 30.092,1092 31.203,1093 30.103,1094 30.192,1095 42.062,1096 1.6,1097 86.825,1098 28.5,1099 5.325,1100 5.325,1101 6.436,1102 5.228,1103 5.163,1104 7.453,1105 1.2,1106 18.365,1107 5.059,1108 6.855,1109 1.524,1110 1.505,1111 1.56,1112 1.505,1113 1.51,1114 2.103,1115 0.08,1116 4.341,1117 1.425,1118 4.095,1119 4.118,1120 4.231,1121 4.051,1122 4.929,1123 4.045,1124 3.83,1125 3.858,1126 4.014,1127 3.814,1128 4.798,1129 3.742,1130 3.481,1131 3.532,1132 3.385,1133 3.392,1134 4.34,1135 3.381,1136 3.288,1137 3.37,1138 3.137,1139 3.109,1140 4.047,1141 3.106,1142 2.966,1143 3.036,1144 2.976,1145 2.875,1146 3.727,1147 2.833,1148 2.937,1149 3.022,1150 2.783,1151 2.792,1152 3.606,1153 2.718,1154 2.665,1155 2.722,1156 2.538,1157 2.574,1158 3.409,1159 2.559,1160 2.493,1161 2.586,1162 2.29,1163 2.327,1164 3.309,1165 2.302,1166 0.228,1167 0.166,1168 0.337,1169 0.206,1170 0.158,1171 4.552,1172 0.223,1173 3.325,1174 0.04,1175 6.747,1176 0.548,1177 4.122,1178 0.153,1179 3.163,1180 4.453,1181 0.8,1182 10.967,1183 3.059,1184 2.072,1185 2.053,1186 2.152,1187 2.132,1188 1.294,1189 2.141,1190 1.54,1191 1.486,1192 1.75,1193 1.733,1194 0.831,1195 1.737,1196 1.519,1197 1.483,1198 1.698,1199 1.652,1200 0.787,1201 1.687,1202 1.37,1203 1.325,1204 1.596,1205 1.524,1206 0.648,1207 1.558,1208 1.014,1209 0.986,1210 1.238,1211 1.147,1212 0.369,1213 1.203,1214 0.979,1215 0.904,1216 1.079,1217 1.074,1218 0.317,1219 1.157,1220 0.693,1221 0.638,1222 0.948,1223 0.982,1224 0.063,1225 1.006,1226 0.684,1227 0.576,1228 0.936,1229 0.838,1230 0.017,1231 0.878,1232 3.714,1233 5.03,1234 2.398,1235 6.553,1236 4.595,1237 8.169,1238 6.555,1239 9.836,1241 4.094,1252 2.153,1257 21.391,1258 46.094,1259 98.839,1260 121.329,1261 136.98,1262 146.49,1263 150.49,1264 16.603,1265 6.458,1266 16.13,1267 44.37,1268 17,1269 12.151,1270 4.087,1271 3.17,1272 25.592,1273 45,1274 46,1275 0.285,1276 136.703,1277 220.31,1278 325.316,1279 4623,1281 12.535,1282 0.696,1283 0.624,1284 12.889,1285 11.238,1286 8.754,1287 0.438,1288 0.339,1289 5.924,1290 8.151,1291 5.595,1292 4.707,1293 9.208,1294 6.771,1295 7.841,1296 0.28,1297 0.184,1298 8.391,1299 5.165,1300 6.784,1301 0.179,1302 0.107,1303 7.569,1304 4.057,1305 5.719,1306 0.114,1307 0.058,1308 6.448,1309 2.881,1310 4.467,1311 0.076,1312 0.031,1313 4.923,1314 1.819,1315 0.424,1316 58.096,1317 0.272,1318 17.674,1319 0.851,1320 96,1321 230.151,1322 123.919,1323 254.032,1324 360.61,1325 240,1326 114,1327 262.386,1328 139.317,1329 286.059,1330 417.62,1331 268,1332 4.602}
{0 CHEMBL207857,1 1.473,2 8.05,3 4.393,4 19.294,5 83.385,6 7.66,7 0.727,8 3.696,9 3.817,10 3.36,11 3.345,12 4.754,13 3.271,14 4.202,15 4.377,16 3.755,17 3.723,18 5.19,19 3.639,20 4.414,21 4.605,22 3.681,23 3.819,24 5.399,25 3.698,26 4.583,27 4.866,28 3.684,29 3.817,30 5.433,31 3.633,32 4.304,33 4.531,34 3.472,35 3.656,36 5.158,37 3.438,38 3.984,39 4.203,40 3.332,41 3.377,42 4.948,43 3.238,44 3.937,45 4.172,46 3.11,47 3.332,48 4.779,49 3.183,50 3.86,51 4.051,52 2.893,53 3.298,54 4.734,55 3.146,56 0.033,57 0.544,58 7.959,59 3.496,60 7.712,61 4.57,62 0.122,63 0.902,64 16.05,65 5.917,66 14.673,67 7.903,68 0.104,69 1.08,70 18.177,71 7.126,72 19.367,73 9.552,74 0.241,75 1.231,76 26.127,77 9.029,78 30.734,79 11.894,80 0.147,81 0.99,82 27.051,83 8.842,84 17.611,85 9.749,86 0.177,87 0.738,88 15.194,89 4.619,90 16.786,91 5.731,92 0.071,93 0.627,94 13.448,95 5.229,96 11.045,97 6.778,98 0.044,99 0.571,100 10.037,101 4.511,102 9.776,103 6.173,104 11,105 32,106 0.265,107 0.614,108 0.719,109 0.776,110 0.776,111 0.776,112 3.058,113 1.021,114 -4.29,115 -4.23,116 -3.99,119 43.2,120 3,123 1,138 5,139 1,140 1,141 1,142 2,147 1,155 1,163 7,166 5,169 1,171 3,172 7,176 5,181 2,183 4,187 3,190 1,192 3,194 8,198 2,203 3,205 3,208 1,209 3,217 4,227 8,231 1,238 8,242 3,249 6,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.353,259 15.55,260 7.685,261 13.567,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.149,268 25.3,269 3.657,270 11.52,271 3.736,272 1.799,273 1.213,274 0.9,275 0.9,276 0.9,277 3.734,282 1,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 9.489,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 41.5,308 161,309 4.513,310 3.55,311 7.118,312 4.311,313 3.328,314 4.434,315 0.4,316 11.7,317 3.278,318 4.453,319 3.101,320 6.514,321 4.019,322 3.041,323 3.91,325 10.24,326 2.975,327 3.796,328 2.595,329 5.495,330 3.364,331 2.487,332 3.085,334 7.378,335 2.18,336 3.435,337 2.065,338 5.089,339 2.952,340 2.012,341 2.804,343 5.973,344 1.873,345 3.118,346 1.618,347 4.421,348 2.614,349 1.618,350 2.427,352 4.118,353 1.612,354 2.775,355 1.446,356 4.124,357 2.314,358 1.377,359 1.907,361 3.709,362 1.281,363 2.7,364 1.267,365 3.591,366 2.246,367 1.263,368 1.761,370 2.821,371 1.237,372 2.328,373 0.918,374 3.342,375 1.824,376 0.875,377 1.252,379 2.073,380 0.826,381 2.165,382 0.696,383 3.268,384 1.477,385 0.683,386 1.007,388 1.667,389 0.533,390 1.307,391 0.085,392 2.854,393 0.907,394 -0.037,395 -0.047,397 -0.096,398 -0.034,399 0.882,400 -0.576,401 2.536,402 0.357,403 -0.618,404 -0.904,406 -1.478,407 -0.6,408 0.735,409 -0.618,410 2.312,411 0.292,412 -0.664,413 -0.927,415 -1.753,416 -0.634,417 0.402,418 -0.934,419 2,421 -1,422 -1,424 -2.599,425 -0.985,426 0.059,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.067,439 -1.035,440 -1.408,442 -3,443 -1,444 10.033,445 0.502,446 0.634,447 0.032,448 27,449 1.35,450 14.5,451 0.725,452 12.5,453 0.625,454 16.197,455 0.81,456 20.567,457 0.556,458 15.533,459 0.777,460 4.802,461 0.24,462 4.736,463 0.237,464 0.15,465 0.05,466 0.249,472 0.912,473 1.151,474 0.764,475 0.89,476 1.045,477 0.894,478 0.691,479 1.092,480 0.77,481 0.933,482 0.625,483 0.814,484 1.171,485 1.349,486 0.975,487 1.123,488 1.096,489 1.191,490 1.279,491 0.719,492 0.824,493 0.68,494 1.203,495 0.762,496 1.301,497 1.292,498 2.01,499 1.662,500 0.905,501 1.177,502 1.856,503 0.831,504 1.327,505 0.971,506 1.345,507 0.905,508 0.704,509 0.862,510 0.95,511 0.938,512 0.689,513 0.873,514 0.658,515 1.1,516 1.019,517 1.191,518 1.03,519 1.332,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 8583,532 2.065,533 45.9,534 9,535 5,536 1,537 1,538 1,542 1.617,543 1.92,544 3.011,545 -0.32,547 1,550 54.508,551 1.473,552 3.411,553 3.996,554 4.31,555 4.31,556 4.31,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,565 1,567 1,568 192.75,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.67,583 1,584 0.843,585 88.095,586 -0.005,587 -0.076,588 0.074,589 0.036,590 -0.163,591 0.03,592 0.301,593 -0.049,594 0.182,595 0.04,596 0.308,597 0.136,598 -0.102,599 -0.328,600 -0.156,601 -0.25,602 -0.093,603 -0.274,604 -0.041,605 0.269,606 0.179,607 0.275,608 -0.057,609 0.2,610 -0.152,611 -0.206,612 -0.326,613 -0.27,614 0.032,615 -0.137,616 -0.244,617 0.321,618 -0.113,619 0.084,620 -0.183,621 0.013,622 0.016,623 0.075,624 0.032,625 0.074,626 0.163,627 0.133,628 -0.158,629 -0.19,630 -0.315,631 -0.32,632 -0.28,633 -0.362,634 1.17,635 1.671,636 0.75,637 12.82,638 0.988,639 1.117,640 3.06,641 9.361,642 0.703,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.647,655 283.43,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 8.1,674 1,676 2,680 2,681 7,682 2,685 1,686 3,688 16,697 1,703 37,705 16,706 1,707 22,709 39,710 16,711 12,712 3,713 3,717 3,718 4,721 3,722 1,729 12,730 4,744 1,747 17,748 3,749 1,750 4,751 1,755 3,760 0.667,770 1,775 1,776 2,780 1,796 2,799 1,801 3,805 20,811 1,816 1,819 1,832 10.417,833 7.65,834 4.222,835 2.154,836 3.191,837 1.475,838 0.981,839 3.367,840 9.909,841 3.434,842 4.09,843 4.695,844 5.302,845 5.786,846 6.047,847 6.415,848 6.857,849 7.26,850 7.273,851 1,852 29,853 7.358,854 3.064,855 7.496,856 14.364,857 11.805,859 1.996,860 39.917,861 0.001,864 188.338,865 132.562,866 51.582,870 31.278,871 101.285,872 188.338,873 51.582,874 26.476,876 55.03,877 45.342,878 37.79,879 11.771,880 196.073,882 188.338,883 152.866,885 31.278,887 188.338,891 58.935,892 60.36,893 33.571,894 31.278,895 188.338,896 51.582,897 132.562,900 188.338,901 42.009,902 90.553,903 18.011,904 33.571,905 188.338,906 51.582,907 132.562,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.077,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 81.684,924 1,928 13.351,929 5.043,930 2.795,931 2.104,932 51.582,933 14.041,934 9.042,937 1.637,938 3.083,940 18.011,941 372.482,942 30,952 36.567,953 41.321,954 0.283,955 0.655,956 0.767,957 0.827,958 0.827,959 0.827,960 4.673,961 0.875,962 5.572,963 2.821,964 4.174,965 4.775,966 0.278,967 6.431,968 4.077,969 5.922,970 0.683,971 7.171,972 2.073,973 4.007,974 4.663,976 7.662,977 3.924,978 7.258,979 -0.037,980 8.887,981 1.667,982 5.878,983 7.053,984 0.05,985 10.652,986 5.725,987 8.633,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.759,994 12.663,995 6.377,996 10.04,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.63,1002 0.008,1003 15.258,1004 7.749,1005 11.469,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.728,1012 17.538,1013 8.717,1014 12.914,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 12.374,1020 0.001,1021 20.021,1022 9.948,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.666,1030 22.397,1031 11.037,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 15.212,1039 24.848,1040 12.222,1041 2.487,1042 10.24,1043 21.974,1044 4.434,1045 13.565,1046 16.599,1048 27.263,1049 13.358,1050 2.012,1051 7.378,1052 23.898,1053 3.91,1054 14.751,1055 18.103,1057 29.706,1058 14.53,1059 1.618,1060 5.973,1061 25.827,1062 3.085,1063 15.916,1064 19.536,1066 32.137,1067 15.686,1068 1.377,1069 4.118,1070 27.76,1071 2.804,1072 17.099,1073 21.023,1075 34.58,1076 16.855,1077 1.263,1078 3.709,1079 29.697,1080 2.427,1081 18.275,1082 22.479,1084 37.02,1085 18.02,1086 3656,1087 5682,1088 14.504,1089 25.995,1090 34.023,1091 33.335,1092 33.563,1093 33.227,1094 33.37,1095 45.173,1096 0.8,1097 99.357,1098 31.588,1099 5.288,1100 5.55,1101 6.807,1102 5.422,1103 5.328,1104 7.434,1105 0.8,1106 18.733,1107 5.278,1108 9.403,1109 1.547,1110 1.515,1111 1.526,1112 1.51,1113 1.517,1114 2.053,1115 0.036,1116 4.516,1117 1.436,1118 4.076,1119 4.106,1120 4.233,1121 4.008,1122 5.014,1123 4.007,1124 3.89,1125 3.923,1126 4.001,1127 3.855,1128 4.829,1129 3.807,1130 3.522,1131 3.578,1132 3.503,1133 3.437,1134 4.398,1135 3.389,1136 3.423,1137 3.47,1138 3.349,1139 3.342,1140 4.205,1141 3.319,1142 3.045,1143 3.109,1144 2.982,1145 2.897,1146 3.98,1147 2.902,1148 2.874,1149 3.009,1150 2.545,1151 2.618,1152 3.63,1153 2.57,1154 2.874,1155 3.009,1156 2.507,1157 2.618,1158 3.467,1159 2.57,1160 2.67,1161 2.747,1162 2.499,1163 2.573,1164 3.467,1165 2.558,1166 0.205,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.513,1172 0.202,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.311,1178 0.149,1179 3.328,1180 4.434,1181 0.4,1182 11.7,1183 3.278,1184 2.031,1185 2.007,1186 2.105,1187 2.12,1188 1.217,1189 2.118,1190 1.778,1191 1.73,1192 1.988,1193 1.915,1194 1.208,1195 1.943,1196 1.467,1197 1.424,1198 1.639,1199 1.614,1200 0.659,1201 1.625,1202 1.287,1203 1.278,1204 1.417,1205 1.433,1206 0.521,1207 1.441,1208 1.122,1209 1.061,1210 1.417,1211 1.257,1212 0.469,1213 1.31,1214 0.934,1215 0.841,1216 1.314,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.251,1223 1.239,1224 0.329,1225 1.308,1226 0.888,1227 0.804,1228 0.997,1229 1.043,1230 0.086,1231 1.064,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.523,1248 3.407,1253 0.08,1257 23.939,1258 54.508,1259 126.204,1260 147.856,1261 159.466,1262 159.466,1263 159.466,1264 23.605,1265 6.718,1266 37.81,1267 66.05,1268 17,1269 12.226,1270 4.087,1271 3.17,1272 29.997,1273 61,1274 46,1275 0.249,1276 153.09,1277 248.61,1278 365.299,1279 6698,1281 14.165,1282 0.708,1283 0.633,1284 14.518,1285 12.661,1286 9.538,1287 0.434,1288 0.34,1289 6.636,1290 8.897,1291 6.228,1292 5.274,1293 9.992,1294 7.487,1295 9.377,1296 0.293,1297 0.208,1298 9.954,1299 6.647,1300 7.125,1301 0.178,1302 0.098,1303 7.754,1304 3.918,1305 5.868,1306 0.115,1307 0.058,1308 6.687,1309 2.953,1310 4.617,1311 0.076,1312 0.031,1313 5.252,1314 1.914,1315 0.384,1316 63.039,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 256.483,1322 137.279,1323 280.917,1324 395.81,1325 264,1326 126,1327 288.935,1328 150.979,1329 313.748,1330 456.02,1331 293,1332 6.523}
{0 CHEMBL208102,1 1.475,2 11.618,3 8.415,4 70.816,5 133.379,6 7.024,7 0.459,8 4.28,9 4.418,10 3.786,11 3.807,12 5.3,13 3.77,14 4.873,15 5.07,16 4.201,17 4.216,18 6.221,19 4.154,20 5.124,21 5.357,22 4.176,23 4.374,24 6.04,25 4.262,26 5.295,27 5.573,28 4.187,29 4.369,30 6.236,31 4.25,32 5.264,33 5.543,34 4.165,35 4.338,36 6.27,37 4.232,38 5.21,39 5.475,40 4.186,41 4.375,42 6.102,43 4.266,44 5.249,45 5.501,46 4.215,47 4.388,48 6.265,49 4.295,50 5.257,51 5.518,52 4.261,53 4.352,54 6.317,55 4.259,56 0.049,57 1.186,58 14.777,59 6.631,60 17.027,61 8.792,62 0.765,63 2.238,64 29.853,65 11.125,66 138.927,67 15.288,68 0.233,69 2.22,70 37.721,71 14.473,72 38.071,73 20.526,74 0.456,75 2.499,76 47.662,77 15.672,78 75.858,79 22.681,80 0.91,81 2.472,82 47.725,83 14.676,84 107.845,85 20.83,86 0.39,87 2.316,88 42.912,89 14.735,90 64.46,91 21.346,92 0.618,93 2.56,94 45.71,95 14.742,96 100.243,97 20.351,98 0.619,99 2.615,100 45.935,101 14.657,102 87.215,103 20.995,104 27,105 52,106 0.234,107 0.531,108 0.713,109 0.809,110 0.859,111 0.863,112 3.561,113 0.976,114 -7.2,115 -6.99,116 -6.47,119 40.3,120 2,121 5,122 1,125 3,131 1,138 8,139 4,140 1,143 1,148 1,161 1,163 18,166 3,169 1,171 4,172 19,176 5,179 1,180 1,181 3,183 12,186 1,187 6,192 2,194 5,198 5,201 1,203 4,205 9,209 4,214 7,217 14,221 6,226 8,227 14,231 7,236 6,238 10,242 4,247 4,249 8,252 2390,253 22.557,254 22.557,255 22.557,256 22.557,257 22.557,258 20.393,259 26.181,260 13.37,261 23.033,262 18.307,263 18.307,264 18.307,265 18.307,266 18.307,267 15.158,268 39.381,269 6.416,270 19.165,271 4.591,272 2.722,273 1.578,274 0.974,275 0.661,276 0.631,277 4.252,283 1,284 842,285 4.123,287 102.911,288 384.209,295 1.766,296 40.063,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 74.5,308 395,309 4.537,310 4.471,311 7.248,312 4.259,313 3.377,314 4,315 3.825,316 12.241,317 3.033,318 4.34,319 3.176,320 6.351,321 3.962,322 2.981,323 3.995,324 0.995,325 9.496,326 2.929,327 4.105,328 3.11,329 5.805,330 3.743,331 2.791,332 3.715,333 0.4,334 8.319,335 2.657,336 3.739,337 2.816,338 5.624,339 3.57,340 2.605,341 2.884,342 0.359,343 7.688,344 2.524,345 3.569,346 2.615,347 5.455,348 3.359,349 2.415,350 2.681,352 7.164,353 2.215,354 3.38,355 2.397,356 5.163,357 3.113,358 2.167,359 2.566,361 6.336,362 2.028,363 3.188,364 2.151,365 4.934,366 2.903,367 1.941,368 2.322,370 5.559,371 1.855,372 2.978,373 1.851,374 4.63,375 2.609,376 1.647,377 2.134,379 4.77,380 1.581,381 2.866,382 1.545,383 4.093,384 2.461,385 1.463,386 2.028,388 3.364,389 1.459,390 2.778,391 1.519,392 3.869,393 2.414,394 1.414,395 1.845,397 3.181,398 1.414,399 2.582,400 1.382,401 3.615,402 2.302,403 1.321,404 1.615,406 2.982,407 1.291,408 2.397,409 1.329,410 3.575,411 2.116,412 1.152,413 1.395,415 2.824,416 1.092,417 2.207,418 1,419 3.291,420 2,421 1,422 1.075,424 2.136,425 1,426 2,427 0.871,428 3.247,429 1.727,430 0.747,431 1,433 1.785,434 0.731,435 1.538,436 0.682,437 3.041,438 1.334,439 0.359,440 0.407,442 0.854,443 0.349,444 15.957,445 0.469,446 0.966,447 0.028,448 37.5,449 1.103,450 16.5,451 0.485,452 21,453 0.618,454 37.054,455 1.09,456 38.643,457 0.577,458 30.196,459 0.888,460 7.121,461 0.209,462 9.171,463 0.27,464 0.116,465 0.031,466 0.276,469 3,472 0.565,473 1.056,474 0.807,475 1.125,476 0.557,477 1.045,478 0.442,479 0.862,480 0.825,481 1.037,482 0.304,483 1.02,484 0.512,485 0.986,486 0.929,487 1.199,488 0.412,489 1.171,490 0.789,491 1.007,492 0.899,493 1.022,494 0.675,495 0.989,496 1.112,497 0.856,498 1.021,499 0.819,500 1.1,501 0.876,502 0.707,503 0.905,504 0.867,505 0.954,506 0.63,507 0.942,508 1.252,509 1.081,510 1.148,511 1.001,512 1.208,513 1.03,514 0.907,515 1.077,516 0.954,517 1.06,518 0.882,519 1.023,520 8,521 0.219,522 3.333,523 2.944,524 1.404,525 1.171,526 0.759,527 0.63,528 0.459,529 0.355,530 16542,531 41689,532 2.052,533 49.3,534 16,535 14,538 2,540 1,542 1.765,543 1.915,544 3.458,545 0.147,550 98.826,551 1.475,552 3.344,553 4.488,554 5.092,555 5.405,556 5.435,557 2.788,558 4.83,559 5.061,560 3.729,561 2091.73,562 8.901,563 32881,568 406.428,569 1.533,570 5.01,571 0.216,572 0.007,573 0.064,574 0.059,575 0.029,576 0.024,577 0.015,578 0.012,579 0.009,580 0.008,581 0.444,582 0.33,583 0.75,584 0.706,585 182.324,586 0.006,587 -0.019,588 0.04,589 0.008,590 -0.058,591 0.025,592 0.396,593 0.182,594 0.102,595 0.017,596 0.483,597 -0.001,598 0.034,599 -0.15,600 -0.043,601 -0.182,602 0.052,603 -0.145,604 -0.002,605 -0.154,606 0.06,607 -0.076,608 0.037,609 -0.012,610 -0.028,611 0.141,612 -0.007,613 0.12,614 -0.062,615 0.074,616 -0.021,617 -0.068,618 0.065,619 0.016,620 -0.014,621 0.052,622 -0.165,623 -0.03,624 -0.148,625 -0.029,626 -0.151,627 -0.069,628 0.051,629 -0.116,630 0.03,631 -0.107,632 0.02,633 -0.06,634 5.607,635 5.613,636 0.676,637 35.471,638 1.001,639 1.144,640 5.972,641 35.666,642 0.642,643 3.638,644 3.97,645 4.174,646 4.407,647 4.543,648 4.575,649 4.691,650 4.828,651 4.913,652 5.011,653 7.499,654 0.607,655 470.64,656 3.638,657 5.187,658 6.019,659 6.895,660 7.74,661 8.618,662 9.47,663 10.349,664 11.203,665 12.083,666 6,669 1,674 2,676 1,681 8,682 1,683 1,686 7,688 17,697 1,703 67,705 17,706 2,707 37,709 70,710 27,711 15,712 5,713 7,717 4,718 4,721 3,724 5,725 1,726 1,727 5,729 15,730 12,731 1,745 3,747 33,748 6,749 2,750 7,755 4,760 1,769 1,775 1,776 3,792 1,796 4,801 2,803 3,805 34,810 8,811 1,814 1,815 1,816 1,824 3,832 17.75,833 12.329,834 7.333,835 4.25,836 2.829,837 1.37,838 0.985,839 7.879,840 10.482,841 3.839,842 4.398,843 4.878,844 5.374,845 5.728,846 5.821,847 6.103,848 6.401,849 6.704,850 6.993,851 1,852 50,853 13.073,854 5.922,855 7.86,856 24.396,857 20.39,859 2.36,860 80.25,864 364.904,865 140.793,866 54.461,869 44.88,871 140.793,872 364.904,873 99.341,874 17.65,875 18.99,876 75.81,877 16.663,878 98.177,879 5.085,880 364.904,881 7.76,882 364.904,883 195.254,884 44.88,887 353.133,888 56.651,891 82.198,892 96.394,893 16.663,895 409.785,896 54.461,897 140.793,900 372.664,901 39.573,902 96.585,903 34.674,904 61.543,905 364.904,906 99.341,907 140.793,909 0.586,910 0.328,911 0.172,912 0.088,913 24,914 11,915 0.114,916 8,918 1,919 4.43,920 313.377,922 23,923 162.219,928 24.663,929 10.862,930 6.578,932 82.678,933 13.948,934 4.403,935 3.082,938 4.711,940 34.674,941 605.039,942 45.5,952 67.083,953 76.656,954 0.243,955 0.551,956 0.74,957 0.839,958 0.891,959 0.896,960 5.095,961 1.647,962 6.028,963 5.559,964 4.654,965 5.085,966 3.145,967 6.843,968 4.565,969 6.292,970 1.463,971 7.595,972 4.77,973 4.369,974 4.879,975 3.911,976 7.919,977 4.126,978 7.597,979 1.414,980 9.273,981 3.364,982 6.293,983 7.196,984 5.427,985 10.944,986 6.089,987 8.935,988 1.321,989 11.021,990 3.181,991 6.815,992 7.793,993 6.69,994 12.864,995 6.448,996 10.307,997 1.152,998 12.815,999 2.982,1000 8.251,1001 9.613,1002 8.058,1003 15.489,1004 7.896,1005 11.702,1006 1,1007 14.644,1008 2.824,1009 9.131,1010 10.588,1011 9.389,1012 17.751,1013 8.629,1014 13.116,1015 0.747,1016 16.499,1017 2.136,1018 10.392,1019 12.191,1020 10.734,1021 20.27,1022 9.863,1023 3.377,1024 0.359,1025 18.376,1026 1.785,1027 11.437,1028 13.356,1029 12.074,1030 22.673,1031 10.777,1032 2.981,1033 12.241,1034 20.269,1035 0.854,1036 12.637,1037 14.852,1038 13.416,1039 25.169,1040 11.919,1041 2.791,1042 9.496,1043 22.177,1044 4,1045 13.759,1046 16.114,1047 14.758,1048 27.628,1049 12.921,1050 2.605,1051 8.319,1052 24.097,1053 3.995,1054 14.945,1055 17.555,1056 16.1,1057 30.123,1058 14.026,1059 2.415,1060 7.688,1061 26.027,1062 3.715,1063 16.104,1064 18.87,1065 17.441,1066 32.606,1067 15.071,1068 2.167,1069 7.164,1070 27.965,1071 2.884,1072 17.29,1073 20.282,1074 18.783,1075 35.103,1076 16.163,1077 1.941,1078 6.336,1079 29.91,1080 2.681,1081 18.469,1082 21.624,1083 20.124,1084 37.598,1085 17.229,1086 15853,1087 25491,1088 24.444,1089 43.018,1090 55.568,1091 54.967,1092 55.755,1093 55.209,1094 54.905,1095 67.488,1096 11.158,1097 157.783,1098 52.46,1099 5.537,1100 6.471,1101 7.05,1102 5.304,1103 5.377,1104 7,1105 5.335,1106 19.758,1107 5.033,1108 17.69,1109 1.502,1110 1.486,1111 1.507,1112 1.492,1113 1.484,1114 1.824,1115 0.302,1116 4.264,1117 1.418,1118 4.036,1119 4.086,1120 3.978,1121 3.929,1122 8.513,1123 3.932,1124 3.947,1125 3.981,1126 3.898,1127 3.875,1128 7.999,1129 3.874,1130 3.875,1131 3.92,1132 3.804,1133 3.773,1134 7.999,1135 3.763,1136 3.844,1137 3.9,1138 3.726,1139 3.689,1140 5.017,1141 3.704,1142 3.472,1143 3.553,1144 3.364,1145 3.271,1146 4.724,1147 3.276,1148 3.316,1149 3.363,1150 3.303,1151 3.052,1152 4.698,1153 3.067,1154 3.2,1155 3.284,1156 3.029,1157 3.022,1158 4.303,1159 3.032,1160 3.169,1161 3.256,1162 2.977,1163 3.009,1164 4.063,1165 2.992,1166 0.123,1167 0.121,1168 0.196,1169 0.115,1170 0.091,1171 4.537,1172 0.108,1173 4.471,1174 0.103,1175 7.248,1176 0.331,1177 4.259,1178 0.082,1179 3.377,1180 4,1181 3.825,1182 12.241,1183 3.033,1184 1.944,1185 1.914,1186 2.12,1187 2.067,1188 1.518,1189 2.083,1190 1.939,1191 1.91,1192 2.059,1193 2.029,1194 1.225,1195 2.04,1196 1.882,1197 1.833,1198 2.03,1199 2,1200 1.197,1201 2.014,1202 1.627,1203 1.572,1204 1.803,1205 1.823,1206 1.04,1207 1.819,1208 1.387,1209 1.323,1210 1.606,1211 1.627,1212 0.884,1213 1.597,1214 1.292,1215 1.207,1216 1.565,1217 1.559,1218 0.825,1219 1.568,1220 1.214,1221 1.139,1222 1.545,1223 1.44,1224 0.658,1225 1.471,1226 1.153,1227 1.084,1228 1.513,1229 1.418,1230 0.627,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.151,1236 4.595,1237 8.735,1238 6.555,1239 10.361,1241 4.133,1243 40.838,1247 7.484,1248 3.357,1251 0.516,1252 2.135,1253 -4.357,1257 40.664,1258 98.826,1259 224.022,1260 300.679,1261 341.144,1262 362.163,1263 364.163,1264 75.912,1265 7.653,1266 43.95,1267 43.95,1268 23,1269 12.624,1270 4.17,1271 3.248,1272 56.6,1273 147,1274 148,1275 0.176,1276 247.543,1277 434.61,1278 595.764,1279 22460,1280 4.5,1281 24.131,1282 0.71,1283 0.585,1284 21.631,1285 19.881,1286 16.292,1287 0.44,1288 0.325,1289 11.888,1290 15.705,1291 11.57,1292 9.63,1293 15.081,1294 12.043,1295 15.402,1296 0.296,1297 0.182,1298 13.407,1299 9.479,1300 11.877,1301 0.186,1302 0.107,1303 11.145,1304 6.85,1305 9.772,1306 0.121,1307 0.06,1308 8.885,1309 4.868,1310 7.335,1311 0.079,1312 0.036,1313 6.802,1314 3.323,1315 0.277,1316 101.93,1317 0.202,1318 31.423,1319 0.483,1320 178,1321 598.289,1322 202.649,1323 507.724,1324 672.11,1325 472,1326 205,1327 478.817,1328 224.441,1329 471.827,1330 702.99,1331 441,1332 4.602}
{0 CHEMBL208249,1 1.354,2 8.05,3 5.719,4 32.712,5 86.946,6 6.821,7 0.5,8 3.799,9 3.93,10 3.363,11 3.435,12 4.714,13 3.337,14 4.371,15 4.567,16 3.764,17 3.851,18 5.199,19 3.732,20 4.634,21 4.857,22 3.697,23 3.977,24 5.449,25 3.815,26 4.775,27 5.068,28 3.706,29 3.968,30 5.499,31 3.753,32 4.535,33 4.794,34 3.498,35 3.797,36 5.258,37 3.552,38 4.238,39 4.495,40 3.342,41 3.539,42 5.026,43 3.354,44 4.139,45 4.385,46 3.15,47 3.494,48 4.875,49 3.301,50 4.038,51 4.24,52 2.933,53 3.442,54 4.808,55 3.257,56 0.05,57 0.599,58 10.518,59 4.431,60 7.395,61 6.051,62 0.144,63 1.025,64 20.466,65 7.688,66 13.587,67 10.694,68 0.135,69 1.271,70 24.793,71 9.77,72 20.391,73 13.609,74 0.216,75 1.407,76 31.009,77 11.003,78 25.84,79 15.014,80 0.175,81 1.171,82 31.272,83 10.457,84 18.342,85 12.492,86 0.163,87 0.881,88 20.331,89 6.436,90 15.832,91 8.376,92 0.103,93 0.765,94 18.637,95 6.808,96 11.905,97 8.585,98 0.06,99 0.679,100 13.664,101 5.887,102 10.123,103 8.015,104 11,105 32,106 0.241,107 0.565,108 0.712,109 0.741,110 0.766,111 0.783,112 3.058,113 1.126,114 -5.53,115 -5.41,116 -5.05,119 40.5,120 3,121 4,123 1,138 3,139 2,140 1,142 1,147 1,155 1,163 12,166 2,169 1,171 3,172 14,176 3,181 3,183 10,187 2,192 4,194 10,198 3,203 4,205 5,209 3,217 5,221 1,227 10,238 12,249 10,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.888,259 19.427,260 7.685,261 13.504,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.852,268 25.208,269 3.657,270 11.42,271 4.038,272 2.214,273 1.382,274 1.221,275 1.078,276 0.983,277 3.734,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 8.299,299 0.75,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.86,307 41,308 161,309 4.478,310 3.55,311 7.118,312 4.311,313 3.328,314 4.047,315 0.4,316 11.7,317 3.278,318 4.372,319 3.246,320 6.514,321 4.029,322 3.041,323 3.891,325 10.24,326 3.007,327 3.775,328 2.651,329 5.495,330 3.37,331 2.487,332 3.035,334 7.378,335 2.202,336 3.323,337 2.175,338 5.089,339 2.972,340 2.012,341 2.567,343 5.973,344 1.904,345 2.947,346 1.77,347 4.421,348 2.618,349 1.618,350 2.115,352 4.118,353 1.618,354 2.687,355 1.475,356 4.124,357 2.324,358 1.377,359 1.739,361 3.709,362 1.3,363 2.434,364 1.287,365 3.591,366 2.255,367 1.263,368 1.429,370 2.821,371 1.245,372 2.17,373 1.059,374 3.342,375 1.852,376 0.875,377 1.024,379 2.073,380 0.851,381 2.002,382 0.698,383 3.268,384 1.478,385 0.683,386 0.949,388 1.667,389 0.533,390 1.234,391 0.102,392 2.854,393 0.914,394 -0.037,395 -0.045,397 -0.096,398 -0.034,399 0.669,400 -0.443,401 2.536,402 0.382,403 -0.618,404 -0.73,406 -1.478,407 -0.618,408 0.593,409 -0.521,410 2.312,411 0.303,412 -0.664,413 -0.772,415 -1.753,416 -0.64,417 0.172,418 -0.874,419 2,421 -1,422 -1,424 -2.599,425 -0.993,426 0.055,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.058,439 -1.035,440 -1.234,442 -3,443 -1,444 10.133,445 0.507,446 0.634,447 0.032,448 22.5,449 1.125,450 10.5,451 0.525,452 12,453 0.6,454 20.111,455 1.006,456 21.667,457 0.516,458 11.619,459 0.581,460 3.494,461 0.175,462 6.044,463 0.302,464 0.148,465 0.049,466 0.247,472 0.96,473 1.149,474 0.847,475 0.953,476 1.096,477 0.993,478 0.58,479 1.085,480 0.812,481 0.976,482 0.521,483 0.912,484 1.036,485 1.288,486 0.938,487 1.097,488 1.071,489 1.172,490 1.419,491 0.843,492 0.838,493 0.758,494 1.356,495 0.843,496 1.488,497 1.241,498 1.78,499 1.47,500 1.029,501 1.115,502 2.314,503 0.834,504 1.343,505 0.934,506 1.684,507 0.879,508 1.223,509 0.904,510 1.421,511 1.166,512 1.187,513 0.97,514 0.804,515 1.225,516 1.228,517 1.331,518 1.233,519 1.404,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 6891,532 2.065,533 52.4,534 17,535 3,536 1,538 1,542 1.617,543 1.92,544 3.011,545 -0.37,550 56.883,551 1.354,552 3.178,553 4.01,554 4.171,555 4.314,556 4.409,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,568 226.477,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.83,583 0.88,584 0.843,585 88.095,586 0.028,587 -0.011,588 0.082,589 0.059,590 -0.091,591 0.047,592 0.389,593 -0.024,594 0.164,595 0.034,596 0.393,597 0.104,598 -0.012,599 -0.273,600 -0.096,601 -0.187,602 -0.027,603 -0.197,604 -0.09,605 0.146,606 0.119,607 0.164,608 -0.128,609 0.093,610 -0.123,611 -0.154,612 -0.222,613 -0.187,614 0.002,615 -0.103,616 -0.411,617 0.303,618 -0.083,619 0.131,620 -0.298,621 0.065,622 -0.195,623 0.14,624 -0.157,625 -0.012,626 -0.11,627 0.047,628 -0.252,629 -0.236,630 -0.378,631 -0.362,632 -0.36,633 -0.385,634 1.132,635 1.733,636 0.75,637 12.82,638 0.979,639 1.121,640 4.301,641 18.497,642 0.673,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.607,655 286.48,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 4.8,674 1,676 1,681 4,682 1,685 1,686 5,688 11,697 1,703 42,705 11,706 1,707 22,709 44,710 17,711 9,712 3,713 3,717 3,718 4,721 3,722 1,724 4,727 4,729 9,730 8,747 22,748 2,749 1,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 3,805 20,810 4,811 1,816 1,819 1,832 10.417,833 8.45,834 4.222,835 2.732,836 2.11,837 1.314,838 0.97,839 3.743,840 8.828,841 3.35,842 3.946,843 4.473,844 5.007,845 5.377,846 5.565,847 5.81,848 6.199,849 6.501,850 6.629,851 1,852 29,853 7.422,854 3.1,855 7.346,856 14.931,857 12.667,859 1.846,860 36.917,861 0.003,864 247.193,865 116.355,866 34.796,870 31.278,871 85.077,872 247.193,873 34.796,874 26.476,875 10.138,876 36.078,877 16.786,878 30.396,879 11.771,880 266.7,882 247.193,883 119.873,885 31.278,887 247.193,891 57.882,892 45.206,893 16.786,894 31.278,895 247.193,896 34.796,897 116.355,900 247.193,901 53.801,902 62.553,903 18.011,904 16.786,905 247.193,906 34.796,907 116.355,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.068,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 81.684,924 1,928 13.91,929 5.383,930 3.02,932 34.796,933 8.771,934 4.733,937 1.7,938 6.417,940 18.011,941 398.344,942 27.5,952 41.116,953 47.069,954 0.251,955 0.589,956 0.744,957 0.774,958 0.8,959 0.818,960 4.613,961 0.875,962 5.572,963 2.821,964 4.174,965 4.63,966 0.278,967 6.431,968 4.094,969 5.838,970 0.683,971 7.171,972 2.073,973 4.007,974 4.527,976 7.662,977 3.936,978 7.169,979 -0.037,980 8.887,981 1.667,982 5.878,983 6.806,984 0.05,985 10.652,986 5.752,987 8.537,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.493,994 12.663,995 6.397,996 9.938,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.277,1002 0.008,1003 15.258,1004 7.779,1005 11.361,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.318,1012 17.538,1013 8.742,1014 12.799,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 11.892,1020 0.001,1021 20.021,1022 9.979,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.103,1030 22.397,1031 11.066,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 14.58,1039 24.848,1040 12.254,1041 2.487,1042 10.24,1043 21.974,1044 4.047,1045 13.565,1046 15.875,1048 27.263,1049 13.389,1050 2.012,1051 7.378,1052 23.898,1053 3.891,1054 14.751,1055 17.306,1057 29.706,1058 14.563,1059 1.618,1060 5.973,1061 25.827,1062 3.035,1063 15.916,1064 18.643,1066 32.137,1067 15.718,1068 1.377,1069 4.118,1070 27.76,1071 2.567,1072 17.099,1073 20.052,1075 34.58,1076 16.888,1077 1.263,1078 3.709,1079 29.697,1080 2.115,1081 18.275,1082 21.411,1084 37.02,1085 18.052,1086 3656,1087 5091,1088 14.504,1089 28.273,1090 33.878,1091 33.501,1092 33.563,1093 33.238,1094 33.37,1095 41.592,1096 0.8,1097 99.357,1098 31.876,1099 5.424,1100 5.55,1101 6.807,1102 5.422,1103 5.328,1104 7.047,1105 0.8,1106 18.733,1107 5.278,1108 9.403,1109 1.54,1110 1.523,1111 1.526,1112 1.511,1113 1.517,1114 1.891,1115 0.036,1116 4.516,1117 1.449,1118 4.03,1119 4.063,1120 4.23,1121 3.972,1122 4.882,1123 3.958,1124 3.882,1125 3.915,1126 3.919,1127 3.847,1128 4.685,1129 3.801,1130 3.551,1131 3.614,1132 3.503,1133 3.448,1134 4.217,1135 3.412,1136 3.461,1137 3.513,1138 3.362,1139 3.384,1140 4.063,1141 3.337,1142 3.137,1143 3.211,1144 3,1145 3.004,1146 3.852,1147 2.986,1148 2.874,1149 3.009,1150 2.654,1151 2.652,1152 3.467,1153 2.633,1154 2.874,1155 3.009,1156 2.602,1157 2.618,1158 3.467,1159 2.607,1160 2.833,1161 2.932,1162 2.499,1163 2.618,1164 3.439,1165 2.57,1166 0.204,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.478,1172 0.184,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.311,1178 0.149,1179 3.328,1180 4.047,1181 0.4,1182 11.7,1183 3.278,1184 1.998,1185 1.969,1186 2.129,1187 2.085,1188 1.437,1189 2.102,1190 1.778,1191 1.73,1192 1.988,1193 1.915,1194 1.208,1195 1.943,1196 1.552,1197 1.496,1198 1.772,1199 1.709,1200 0.952,1201 1.736,1202 1.296,1203 1.283,1204 1.479,1205 1.454,1206 0.767,1207 1.468,1208 1.15,1209 1.096,1210 1.417,1211 1.303,1212 0.516,1213 1.339,1214 1.074,1215 0.998,1216 1.417,1217 1.247,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.279,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.218,1229 1.239,1230 0.328,1231 1.308,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.614,1247 5.032,1248 3.532,1253 0.118,1257 25.498,1258 56.883,1259 133.481,1260 168.438,1261 175.193,1262 181.193,1263 185.193,1264 25.116,1265 6.718,1266 24.92,1267 53.16,1268 17,1269 12.226,1270 3.585,1271 2.7,1272 29.997,1273 61,1274 46,1275 0.249,1276 161.743,1277 271.09,1278 386.412,1279 6698,1281 14.165,1282 0.708,1283 0.665,1284 14.518,1285 13.31,1286 9.538,1287 0.434,1288 0.375,1289 7.422,1290 8.966,1291 6.991,1292 5.893,1293 9.992,1294 8.256,1295 9.377,1296 0.293,1297 0.232,1298 9.954,1299 7.421,1300 7.125,1301 0.178,1302 0.117,1303 7.754,1304 4.668,1305 5.868,1306 0.115,1307 0.071,1308 6.687,1309 3.639,1310 4.617,1311 0.076,1312 0.041,1313 5.252,1314 2.526,1315 0.384,1316 62.585,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 216.838,1322 135.558,1323 242.053,1324 343.23,1325 228,1326 126,1327 249.47,1328 149.147,1329 273.846,1330 399.19,1331 256,1332 6.678}
{0 CHEMBL208452,1 1.392,2 9.409,3 5.233,4 27.38,5 92.385,6 8.401,7 0.88,8 3.692,9 3.79,10 3.44,11 3.433,12 4.806,13 3.368,14 4.143,15 4.26,16 3.794,17 3.796,18 5.22,19 3.714,20 4.354,21 4.543,22 3.714,23 3.84,24 5.326,25 3.73,26 4.331,27 4.532,28 3.699,29 3.785,30 5.3,31 3.648,32 4.267,33 4.477,34 3.663,35 3.718,36 5.209,37 3.549,38 4.087,39 4.294,40 3.484,41 3.554,42 5.02,43 3.382,44 3.878,45 4.075,46 3.162,47 3.365,48 4.805,49 3.224,50 3.751,51 3.936,52 2.951,53 3.269,54 4.676,55 3.147,56 0.028,57 0.439,58 6.154,59 2.93,60 5.857,61 3.713,62 0.091,63 0.739,64 11.767,65 4.947,66 9.647,67 6.245,68 0.086,69 0.932,70 15.881,71 6.77,72 14.683,73 8.657,74 0.1,75 0.947,76 16.07,77 6.703,78 16.779,79 8.383,80 0.121,81 0.941,82 19.649,83 7.364,84 17.443,85 8.325,86 0.111,87 0.798,88 17.846,89 6.435,90 14.597,91 6.976,92 0.086,93 0.617,94 13.756,95 5.027,96 10.554,97 5.634,98 0.042,99 0.472,100 8.446,101 3.779,102 7.404,103 5.035,105 34,106 0.247,107 0.458,108 0.595,109 0.767,110 0.857,111 0.877,112 3.147,113 0.964,114 -5.88,115 -5.74,116 -5.34,119 52.8,138 12,139 3,140 1,142 1,147 1,155 1,163 15,166 2,169 1,171 3,172 17,176 2,181 3,183 13,187 4,192 4,194 9,198 4,203 3,205 7,209 3,214 2,217 6,221 1,226 1,227 8,238 13,249 15,252 586,253 15.499,254 15.499,255 15.499,256 15.499,257 15.499,258 12.931,259 9.487,260 9.404,261 15.81,262 12.403,263 12.403,264 12.403,265 12.403,266 12.403,267 8.677,268 17.5,269 4.5,270 12.938,271 3.778,272 2.587,273 1.813,274 0.841,275 0.333,276 0.222,277 3.853,282 1,283 1,284 464,285 2,287 52.369,288 171.609,292 89.637,295 1.463,296 7.232,299 0.75,300 0.83,301 1,302 0.6,304 1,305 1,306 0.74,307 45,308 207,309 4.503,310 3.119,311 6.515,312 4.035,313 3.055,314 4.434,315 0.4,316 10.245,317 3.008,318 4.286,319 2.91,320 6.18,321 3.859,322 2.9,323 3.952,325 9.218,326 2.79,327 3.772,328 2.487,329 5.433,330 3.306,331 2.391,332 3.276,334 7.125,335 2.181,336 3.459,337 2.055,338 5.047,339 2.977,340 2.011,341 2.873,343 5.854,344 1.926,345 3.118,346 1.689,347 4.336,348 2.623,349 1.66,350 2.427,352 4.159,353 1.618,354 3.091,355 1.618,356 4.121,357 2.618,358 1.618,359 2.329,361 3.739,362 1.58,363 2.768,364 1.275,365 3.593,366 2.27,367 1.272,368 1.901,370 2.834,371 1.269,372 2.564,373 1.141,374 3.491,375 2.071,376 1.107,377 1.593,379 2.625,380 1.06,381 2.5,382 1,383 3.318,384 2,385 1,386 1.5,388 2.136,389 1,390 2.325,391 0.894,392 3.261,393 1.84,394 0.861,395 1.246,397 2.047,398 0.839,399 2.167,400 0.676,401 3.247,402 1.476,403 0.673,404 1.004,406 1.647,407 0.53,408 1.312,409 0.082,410 2.79,411 0.919,412 -0.032,413 -0.042,415 -0.085,416 -0.031,417 0.882,418 -0.556,419 2.339,420 0.382,421 -0.608,422 -0.82,424 -1.472,425 -0.59,426 0.791,427 -0.618,428 2.235,429 0.367,430 -0.618,431 -0.927,433 -1.478,434 -0.618,435 0.686,436 -0.723,437 2,438 0.228,439 -0.744,440 -1.04,442 -1.837,443 -0.714,444 11.133,445 0.506,446 0.359,447 0.016,448 34,449 1.545,450 20.5,451 0.932,452 13.5,453 0.614,454 13.208,455 0.6,456 20.667,457 0.574,458 20.518,459 0.933,460 6.651,461 0.302,462 4.248,463 0.193,466 0.269,472 0.927,473 0.903,474 0.703,475 0.736,476 0.946,477 0.738,478 0.657,479 1.154,480 0.915,481 1.079,482 0.854,483 0.986,484 1.102,485 1.089,486 0.865,487 0.936,488 0.951,489 0.972,490 1.344,491 1.111,492 0.929,493 0.945,494 1.123,495 1.01,496 1.567,497 1.075,498 1.352,499 1.118,500 1.183,501 0.969,502 1.699,503 1.038,504 1.574,505 1.212,506 1.194,507 0.968,508 1.519,509 0.914,510 1.518,511 1.186,512 1.138,513 0.977,514 0.74,515 0.855,516 0.926,517 0.972,518 0.937,519 1.074,520 3,521 0.029,522 2,523 1.097,524 0.757,525 0.407,526 0.212,527 0.196,528 0.095,529 0.046,530 5552,531 13257,532 2.234,533 38.9,535 12,536 1,538 1,542 1.642,543 2.2,544 3.225,545 -0.399,550 50.104,551 1.392,552 2.583,553 3.356,554 4.329,555 4.837,556 4.948,557 2.665,558 4.005,559 4.434,560 3.352,561 774.417,562 7.6,563 8497.19,568 186.117,569 0.845,570 4.433,571 0.12,572 0.003,573 0.059,574 0.034,575 0.027,576 0.016,577 0.01,578 0.011,579 0.006,580 0.003,581 0.289,582 0.67,583 0.88,585 101.289,586 -0.023,587 0.025,588 0.063,589 0.069,590 -0.138,591 0.056,592 0.312,593 -0.208,594 -0.033,595 -0.205,596 -0.007,597 -0.152,598 -0.025,599 -0.111,600 -0.019,601 -0.053,602 0.017,603 -0.05,604 -0.079,605 -0.08,606 0.026,607 -0.004,608 -0.051,609 -0.072,610 -0.137,611 0.032,612 -0.014,613 0.043,614 -0.028,615 0.028,616 -0.225,617 0.094,618 -0.106,619 0.022,620 -0.043,621 0.04,622 -0.314,623 0.14,624 -0.265,625 -0.065,626 -0.101,627 0.008,628 -0.169,629 0.009,630 -0.187,631 -0.118,632 -0.145,633 -0.126,634 0.754,635 1.69,636 0.955,637 16.331,638 0.988,639 1.095,640 4.649,641 21.616,642 0.756,643 3.258,644 3.555,645 3.85,646 4.127,647 4.317,648 4.317,649 4.443,650 4.554,651 4.654,652 4.625,653 5.601,654 0.705,655 302.42,656 3.258,657 4.779,658 5.631,659 6.5,660 7.366,661 8.24,662 9.11,663 9.986,664 10.859,665 11.736,666 5.6,674 1,676 1,680 2,681 13,682 1,685 1,686 4,688 22,697 1,703 36,705 22,706 3,707 25,709 39,710 19,711 19,712 4,713 12,717 4,718 5,729 19,747 14,748 2,749 1,750 3,751 1,755 2,760 0.75,775 1,776 3,780 1,796 3,799 1,805 22,811 1,819 1,832 10,833 6.45,834 4.833,835 2.093,836 4.262,837 1.59,838 1.07,839 3.512,840 11.49,841 3.611,842 4.252,843 4.899,844 5.527,845 6.044,846 6.29,847 6.726,848 7.14,849 7.55,850 7.693,851 1,852 32,853 8.081,854 3.418,855 7.47,856 15.788,857 13.103,859 1.97,860 43.333,861 0.001,864 153.024,865 166.987,866 34.796,870 31.278,871 135.71,872 153.024,873 34.796,876 121.364,877 16.786,878 32.356,879 11.771,880 172.531,882 153.024,883 170.506,885 31.278,887 153.024,891 21.268,892 132.452,893 16.786,894 31.278,895 153.024,896 34.796,897 166.987,900 153.024,901 45.623,902 121.364,903 18.011,904 16.786,905 153.024,906 34.796,907 166.987,909 0.57,910 0.338,911 0.194,912 0.102,913 18,914 6,915 0.077,916 3,917 1,918 1.095,919 3.6,920 175.803,921 0.095,922 21,923 92.107,924 1,928 13.322,929 5.8,930 2.722,931 2.439,932 34.796,933 26.982,934 4.69,937 1.626,938 4.153,940 18.011,941 354.808,942 36,952 35.582,953 39.408,954 0.269,955 0.5,956 0.649,957 0.837,958 0.936,959 0.957,960 4.8,961 1.107,962 5.58,963 2.834,964 4.234,965 4.938,966 0.278,967 6.361,968 4.158,969 6.005,970 1,971 7.107,972 2.625,973 3.611,974 4.559,976 7.182,977 3.503,978 7.299,979 0.861,980 8.74,981 2.136,982 5.784,983 7.19,984 0.05,985 10.305,986 5.646,987 8.635,988 0.673,989 10.437,990 2.047,991 6.066,992 7.74,994 12.013,995 5.894,996 10.006,997 -0.032,998 12.179,999 1.647,1000 7.628,1001 9.733,1002 0.008,1003 14.605,1004 7.442,1005 11.404,1006 -0.608,1007 13.949,1008 -0.085,1009 8.34,1010 10.742,1012 16.659,1013 8.127,1014 12.821,1015 -0.618,1016 15.741,1017 -1.472,1018 9.638,1019 12.45,1020 0.001,1021 19.069,1022 9.413,1023 3.055,1024 -0.744,1025 17.548,1026 -1.478,1027 10.555,1028 13.692,1030 21.266,1031 10.308,1032 2.9,1033 10.245,1034 19.365,1035 -1.837,1036 11.738,1037 15.269,1039 23.611,1040 11.478,1041 2.391,1042 9.218,1043 21.191,1044 4.434,1045 12.752,1046 16.628,1048 25.869,1049 12.474,1050 2.011,1051 7.125,1052 23.023,1053 3.952,1054 13.886,1055 18.146,1057 28.19,1058 13.594,1059 1.66,1060 5.854,1061 24.86,1062 3.276,1063 14.946,1064 19.564,1066 30.476,1067 14.637,1068 1.618,1069 4.159,1070 26.702,1071 2.873,1072 16.059,1073 21.057,1075 32.79,1076 15.736,1077 1.272,1078 3.739,1079 28.547,1080 2.427,1081 17.14,1082 22.505,1084 35.09,1085 16.801,1086 5125,1087 8042,1088 17.682,1089 27.228,1090 37.428,1091 37.126,1092 37.385,1093 37.029,1094 37.093,1095 53.068,1096 0.8,1097 103.258,1098 35.601,1099 5.277,1100 5.119,1101 6.317,1102 5.148,1103 5.055,1104 7.434,1105 0.8,1106 17.088,1107 5.008,1109 1.497,1110 1.485,1111 1.495,1112 1.481,1113 1.484,1114 2.123,1115 0.032,1116 4.13,1117 1.424,1118 4.094,1119 4.117,1120 4.237,1121 4.052,1122 4.961,1123 4.045,1124 3.952,1125 3.975,1126 4.014,1127 3.921,1128 4.849,1129 3.895,1130 3.671,1131 3.7,1132 3.768,1133 3.654,1134 4.631,1135 3.588,1136 3.456,1137 3.5,1138 3.365,1139 3.381,1140 4.337,1141 3.368,1142 3.102,1143 3.16,1144 3.01,1145 2.99,1146 3.954,1147 2.987,1148 2.854,1149 2.925,1150 2.841,1151 2.759,1152 3.674,1153 2.722,1154 2.824,1155 2.883,1156 2.687,1157 2.735,1158 3.626,1159 2.715,1160 2.672,1161 2.736,1162 2.568,1163 2.576,1164 3.454,1165 2.561,1166 0.18,1167 0.125,1168 0.261,1169 0.161,1170 0.122,1171 4.503,1172 0.177,1173 3.119,1174 0.016,1175 6.515,1176 0.41,1177 4.035,1178 0.12,1179 3.055,1180 4.434,1181 0.4,1182 10.245,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.906,1191 1.88,1192 2.02,1193 1.98,1194 1.095,1195 1.995,1196 1.499,1197 1.46,1198 1.668,1199 1.631,1200 0.708,1201 1.646,1202 1.318,1203 1.314,1204 1.406,1205 1.467,1206 0.569,1207 1.455,1208 1.272,1209 1.225,1210 1.327,1211 1.362,1212 0.431,1213 1.42,1214 0.997,1215 0.963,1216 1.181,1217 1.101,1218 0.257,1219 1.147,1220 0.886,1221 0.821,1222 1.108,1223 1.062,1224 0.218,1225 1.107,1226 0.693,1227 0.64,1228 0.954,1229 0.854,1230 0.063,1231 0.909,1232 3.932,1233 5.231,1234 2.398,1235 6.737,1236 4.595,1237 8.334,1238 6.581,1239 9.977,1248 3.444,1257 25.391,1258 50.104,1259 92.992,1260 120.833,1261 155.853,1262 174.117,1263 178.117,1264 20.763,1265 7.228,1266 24.92,1267 53.16,1268 23,1269 12.275,1270 4.524,1271 3.585,1272 29.998,1273 75,1274 68,1275 0.199,1276 158.897,1277 258.33,1278 379.468,1279 13732,1281 14.778,1282 0.672,1283 0.576,1284 15.131,1285 12.678,1286 10.899,1287 0.436,1288 0.321,1289 7.203,1290 10.326,1291 6.955,1292 5.791,1293 11.353,1294 8.037,1295 9.472,1296 0.279,1297 0.174,1298 10.05,1299 5.914,1300 8.258,1301 0.18,1302 0.095,1303 8.897,1304 4.363,1305 7.154,1306 0.117,1307 0.053,1308 7.887,1309 3.254,1310 5.725,1311 0.077,1312 0.029,1313 6.343,1314 2.172,1315 0.31,1316 70.752,1317 0.238,1318 21.751,1319 0.547,1320 118,1321 278.838,1322 145.558,1323 306.387,1324 436.78,1325 290,1326 139,1327 320.47,1328 161.981,1329 345.613,1330 505.44,1331 327,1332 5.26}
{0 CHEMBL208458,1 1.428,2 8.667,3 5.054,4 25.547,5 90.195,6 7.13,7 0.652,8 3.811,9 3.943,10 3.411,11 3.418,12 4.799,13 3.337,14 4.35,15 4.548,16 3.815,17 3.812,18 5.251,19 3.721,20 4.554,21 4.765,22 3.74,23 3.922,24 5.457,25 3.792,26 4.726,27 5,28 3.78,29 3.977,30 5.54,31 3.787,32 4.538,33 4.785,34 3.536,35 3.822,36 5.31,37 3.584,38 4.232,39 4.479,40 3.428,41 3.539,42 5.098,43 3.385,44 4.17,45 4.426,46 3.188,47 3.483,48 4.937,49 3.317,50 4.093,51 4.314,52 3.113,53 3.472,54 4.907,55 3.293,56 0.047,57 0.627,58 10.06,59 4.117,60 8.533,61 5.597,62 0.16,63 1.042,64 19.737,65 6.808,66 15.457,67 9.53,68 0.149,69 1.223,70 22.474,71 8.291,72 21.32,73 11.598,74 0.24,75 1.374,76 29.333,77 10.396,78 29.613,79 14.13,80 0.17,81 1.178,82 31.46,83 10.572,84 20.28,85 12.586,86 0.203,87 0.892,88 19.477,89 5.928,90 18.622,91 7.978,92 0.105,93 0.776,94 16.813,95 6.275,96 13.343,97 8.46,98 0.076,99 0.73,100 15.15,101 6.087,102 12.681,103 8.11,104 21,105 34,106 0.251,107 0.593,108 0.698,109 0.772,110 0.781,111 0.781,112 3.104,113 1.067,114 -4.61,115 -4.53,116 -4.27,119 40.5,120 4,123 1,125 1,138 4,139 1,140 1,142 1,147 2,148 1,155 1,163 6,166 6,169 1,171 3,172 6,176 4,181 2,183 4,187 3,190 1,192 2,194 9,198 2,203 3,205 3,208 1,209 2,214 1,217 4,227 8,231 2,238 8,242 3,249 3,252 526,253 13.859,254 13.859,255 13.859,256 13.859,257 13.859,258 12.154,259 20.294,260 7.88,261 14.309,262 11.294,263 11.294,264 11.294,265 11.294,266 11.294,267 8.636,268 27.8,269 3.634,270 12.018,271 3.964,272 2.019,273 1.423,274 1.001,275 0.953,276 0.953,277 3.776,282 1,283 1,284 386,285 3.317,287 96.743,288 53.64,291 80.977,295 1.302,296 8.936,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 43.5,308 182,309 4.613,310 3.55,311 7.118,312 4.312,313 3.329,314 4.574,315 0.4,316 11.7,317 3.278,318 4.467,319 3.214,320 6.712,321 4.126,322 3.158,323 3.913,325 10.902,326 3.06,327 3.859,328 2.716,329 5.77,330 3.459,331 2.565,332 3.213,334 7.93,335 2.308,336 3.61,337 2.316,338 5.347,339 3.146,340 2.237,341 2.94,343 6.824,344 2,345 3.05,346 1.637,347 4.582,348 2.549,349 1.56,350 2.323,352 4.445,353 1.545,354 2.83,355 1.541,356 4.354,357 2.459,358 1.503,359 1.931,361 3.833,362 1.429,363 2.66,364 1.355,365 4.108,366 2.234,367 1.287,368 1.714,370 3.635,371 1.207,372 2.312,373 0.906,374 3.363,375 1.852,376 0.877,377 1.236,379 2.015,380 0.852,381 2.166,382 0.701,383 3.277,384 1.479,385 0.686,386 1.008,388 1.671,389 0.534,390 1.527,391 0.403,392 2.92,393 1.307,394 0.343,395 0.394,397 0.554,398 0.329,399 1.195,400 -0.016,401 2.631,402 0.826,403 -0.122,404 -0.155,406 -0.298,407 -0.115,408 0.581,409 -0.665,410 2.506,411 0.176,412 -0.785,413 -1,415 -1.929,416 -0.748,417 0.558,418 -0.816,419 2.289,420 0.115,421 -0.863,422 -1,424 -2.22,425 -0.846,426 0.062,427 -1,428 2,430 -1,431 -1.016,433 -3,434 -1,435 0.001,436 -1,437 2,439 -1,440 -1.152,442 -3,443 -1,444 10.533,445 0.502,446 0.685,447 0.033,448 25.75,449 1.226,450 12.5,451 0.595,452 13.25,453 0.631,454 19.286,455 0.918,456 22.467,457 0.535,458 15.108,459 0.719,460 4.455,461 0.212,462 5.532,463 0.263,464 0.19,465 0.047,466 0.275,472 0.996,473 1.288,474 0.815,475 0.975,476 1.161,477 0.98,478 0.88,479 1.089,480 0.777,481 0.897,482 0.58,483 0.801,484 1.278,485 1.24,486 0.964,487 1.045,488 1.076,489 1.117,490 1.179,491 0.83,492 0.86,493 0.789,494 1.315,495 0.876,496 1.155,497 1.276,498 1.789,499 1.556,500 0.938,501 1.192,502 1.723,503 0.86,504 1.186,505 0.922,506 1.403,507 0.886,508 0.95,509 0.871,510 0.968,511 0.922,512 0.968,513 0.912,514 0.808,515 1.097,516 1.155,517 1.204,518 1.054,519 1.218,520 5.5,521 0.05,522 2.889,523 1.632,524 1.233,525 0.399,526 0.465,527 0.297,528 0.239,529 0.206,530 4167,531 8608,532 2.034,533 50,534 9,535 6,536 2,538 1,540 3,542 1.631,543 1.867,544 3.093,545 -0.338,550 59.997,551 1.428,552 3.373,553 3.969,554 4.391,555 4.439,556 4.439,557 2.489,558 4.166,559 4.366,560 3.244,561 681.28,562 7.474,563 7144.71,565 1,568 226.477,569 1.691,570 4.295,571 0.239,572 0.012,573 0.085,574 0.053,575 0.044,576 0.019,577 0.023,578 0.016,579 0.015,580 0.017,581 0.524,582 0.67,583 1,584 0.988,585 94.36,586 0.034,587 -0.14,588 0.084,589 0.009,590 -0.184,591 0.014,592 0.275,594 0.205,595 0.091,596 0.357,597 0.177,598 -0.124,599 -0.185,600 -0.11,601 -0.143,602 -0.038,603 -0.166,604 -0.028,605 0.158,606 0.106,607 0.156,608 -0.119,609 0.079,610 -0.1,611 -0.222,612 -0.259,613 -0.249,614 0.009,615 -0.159,616 -0.142,617 0.248,618 -0.029,619 0.099,620 -0.142,621 0.052,622 -0.077,623 0.099,624 -0.013,625 0.058,626 -0.04,627 0.076,628 -0.13,629 -0.114,630 -0.207,631 -0.191,632 -0.157,633 -0.208,634 1.159,635 1.711,636 0.667,637 14.154,638 0.984,639 1.123,640 3.383,641 11.442,642 0.679,643 3.178,644 3.555,645 3.807,646 4.06,647 4.19,648 4.277,649 4.331,650 4.477,651 4.454,652 4.489,653 5.243,654 0.619,655 299.48,656 3.178,657 4.745,658 5.602,659 6.506,660 7.383,661 8.286,662 9.17,663 10.071,664 10.959,665 11.859,666 7.1,674 2,676 1,680 2,681 6,682 1,685 1,686 3,687 1,688 15,697 1,703 42,705 15,706 1,707 23,709 44,710 17,711 11,712 3,713 3,717 3,718 4,721 4,722 1,729 11,730 6,747 21,748 2,749 1,750 4,751 1,755 3,760 0.667,772 1,775 2,776 1,779 1,796 2,799 1,801 4,805 21,810 1,811 1,816 1,819 1,832 11.25,833 8.817,834 4.5,835 2.643,836 2.955,837 1.432,838 0.975,839 3.784,840 9.788,841 3.45,842 4.119,843 4.751,844 5.375,845 5.775,846 6.123,847 6.485,848 6.927,849 7.064,850 7.378,851 0.833,852 31,853 7.75,854 3.211,855 7.425,856 15.31,857 12.652,859 1.925,860 40.417,861 0.001,863 1,864 235.422,865 134.017,866 36.695,870 31.278,871 102.739,872 235.422,873 36.695,874 35.301,875 2.106,876 54.601,877 16.786,878 28.497,879 25.686,880 243.158,882 235.422,883 139.435,885 31.278,887 200.109,888 35.313,891 60.574,892 62.075,893 16.786,894 31.278,895 235.422,896 36.695,897 134.017,900 235.422,901 44.115,902 91.801,903 18.011,904 16.786,905 235.422,906 36.695,907 134.017,909 0.597,910 0.345,911 0.18,912 0.091,913 18,914 8,915 0.091,916 4,917 1,918 1.143,919 3.272,920 163.418,921 0.143,922 14,923 87.484,924 1,928 14.581,929 5.45,930 2.842,931 2.502,932 34.796,933 12.805,934 4.711,937 1.663,938 3.208,939 2.253,940 18.011,941 406.134,942 30.5,952 41.334,953 47.152,954 0.265,955 0.626,956 0.736,957 0.814,958 0.823,959 0.823,960 4.707,961 0.877,962 5.652,963 3.635,964 4.234,965 4.804,966 0.278,967 6.538,968 4.127,969 5.965,970 0.686,971 7.27,972 2.015,973 4.111,974 4.783,976 7.789,977 4.007,978 7.315,979 0.343,980 9,981 1.671,982 5.964,983 7.111,984 0.05,985 10.795,986 5.791,987 8.706,988 -0.122,989 10.796,990 0.554,991 6.635,992 7.923,994 12.812,995 6.474,996 10.128,997 -0.785,998 12.634,999 -0.298,1000 8.031,1001 9.74,1002 0.008,1003 15.418,1004 7.827,1005 11.572,1006 -0.863,1007 14.5,1008 -1.929,1009 9.011,1010 10.928,1012 17.7,1013 8.813,1014 13.032,1015 -1,1016 16.384,1017 -2.22,1018 10.259,1019 12.548,1020 0.001,1021 20.191,1022 10.035,1023 3.329,1024 -1,1025 18.283,1026 -3,1027 11.36,1028 13.91,1030 22.569,1031 11.133,1032 3.158,1033 11.7,1034 20.192,1035 -3,1036 12.56,1037 15.455,1039 25.024,1040 12.315,1041 2.565,1042 10.902,1043 22.109,1044 4.574,1045 13.709,1046 16.896,1048 27.439,1049 13.455,1050 2.237,1051 7.93,1052 24.032,1053 3.913,1054 14.896,1055 18.415,1057 29.883,1058 14.626,1059 1.56,1060 6.824,1061 25.96,1062 3.213,1063 16.065,1064 19.893,1066 32.313,1067 15.783,1068 1.503,1069 4.445,1070 27.892,1071 2.94,1072 17.249,1073 21.404,1075 34.755,1076 16.952,1077 1.287,1078 3.833,1079 29.827,1080 2.323,1081 18.428,1082 22.9,1084 37.193,1085 18.116,1086 4139,1087 6084,1088 14.909,1089 28.517,1090 35.663,1091 35.042,1092 36.043,1093 34.979,1094 35.088,1095 46.496,1096 0.8,1097 107.02,1098 33.084,1099 5.391,1100 5.55,1101 6.665,1102 5.429,1103 5.329,1104 7.574,1105 0.8,1106 18.865,1107 5.278,1108 11.378,1109 1.551,1110 1.524,1111 1.567,1112 1.521,1113 1.526,1114 2.022,1115 0.035,1116 4.653,1117 1.438,1118 4.141,1119 4.177,1120 4.238,1121 4.052,1122 4.963,1123 4.057,1124 3.898,1125 3.932,1126 4.07,1127 3.862,1128 4.807,1129 3.812,1130 3.564,1131 3.632,1132 3.506,1133 3.444,1134 4.319,1135 3.41,1136 3.459,1137 3.516,1138 3.399,1139 3.36,1140 4.197,1141 3.326,1142 3.249,1143 3.321,1144 3.066,1145 3.121,1146 3.954,1147 3.098,1148 2.99,1149 3.062,1150 2.893,1151 2.829,1152 3.822,1153 2.828,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.874,1161 3.009,1162 2.499,1163 2.618,1164 3.467,1165 2.57,1166 0.201,1167 0.154,1168 0.309,1169 0.187,1170 0.145,1171 4.613,1172 0.199,1173 3.55,1174 0.017,1175 7.118,1176 0.509,1177 4.312,1178 0.143,1179 3.329,1180 4.574,1181 0.4,1182 11.7,1183 3.278,1184 1.942,1185 1.917,1186 2.026,1187 2.041,1188 1.208,1189 2.039,1190 1.777,1191 1.73,1192 1.987,1193 1.915,1194 1.196,1195 1.943,1196 1.637,1197 1.57,1198 1.859,1199 1.836,1200 1.018,1201 1.846,1202 1.291,1203 1.277,1204 1.54,1205 1.471,1206 0.602,1207 1.502,1208 1.262,1209 1.207,1210 1.417,1211 1.408,1212 0.515,1213 1.416,1214 1.112,1215 1.045,1216 1.417,1217 1.253,1218 0.469,1219 1.309,1220 0.945,1221 0.881,1222 1.284,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.226,1229 1.239,1230 0.313,1231 1.308,1232 3.85,1233 5.209,1234 3.045,1235 6.746,1236 5.352,1237 8.363,1238 7.424,1239 10.023,1241 8.728,1247 0.985,1248 3.471,1253 0.091,1257 25.993,1258 59.997,1259 141.665,1260 166.703,1261 184.438,1262 186.438,1263 186.438,1264 25.682,1265 6.833,1266 29.85,1267 58.09,1268 16,1269 12.383,1270 4,1271 3.087,1272 32.241,1273 66,1274 61,1275 0.246,1276 165.609,1277 268.55,1278 395.847,1279 7531,1281 15.035,1282 0.716,1283 0.657,1284 15.389,1285 13.79,1286 9.987,1287 0.434,1288 0.356,1289 7.316,1290 9.307,1291 6.858,1292 5.811,1293 10.441,1294 8.177,1295 9.742,1296 0.287,1297 0.209,1298 10.319,1299 7.111,1300 7.671,1301 0.174,1302 0.101,1303 8.299,1304 4.426,1305 6.352,1306 0.111,1307 0.059,1308 7.172,1309 3.348,1310 4.705,1311 0.072,1312 0.032,1313 5.34,1314 2.104,1315 0.38,1316 65.852,1317 0.259,1318 20.603,1319 0.692,1320 114,1321 252.483,1322 143.973,1323 276.037,1324 393.37,1325 260,1326 135,1327 292.639,1328 160.978,1329 316.268,1330 463.34,1331 296,1332 6.678}
{0 CHEMBL208459,1 1.309,2 8.095,3 4.86,4 23.617,5 85.899,6 6.935,7 0.739,8 3.761,9 3.893,10 3.281,11 3.362,12 4.825,13 3.314,14 4.267,15 4.454,16 3.649,17 3.749,18 5.27,19 3.682,20 4.52,21 4.72,22 3.68,23 3.896,24 5.495,25 3.794,26 4.673,27 4.959,28 3.535,29 3.83,30 5.521,31 3.692,32 4.459,33 4.712,34 3.442,35 3.67,36 5.383,37 3.549,38 4.358,39 4.646,40 3.248,41 3.494,42 5.273,43 3.388,44 4.081,45 4.321,46 3.169,47 3.452,48 4.963,49 3.337,50 4.055,51 4.251,52 3.06,53 3.496,54 4.934,55 3.345,56 0.04,57 0.573,58 8.572,59 3.606,60 8.728,61 5.069,62 0.155,63 0.929,64 15.068,65 6.18,66 18.21,67 8.733,68 0.119,69 1.17,70 19.686,71 7.579,72 21.334,73 10.96,74 0.211,75 1.276,76 24.804,77 8.504,78 31.992,79 12.736,80 0.141,81 1.064,82 19.42,83 6.786,84 24.163,85 10.107,86 0.235,87 0.972,88 18.394,89 5.036,90 28.723,91 7.858,92 0.092,93 0.71,94 12.997,95 5.155,96 14.887,97 7.424,98 0.049,99 0.687,100 12.06,101 5.604,102 12.012,103 7.822,104 11,105 33,106 0.231,107 0.544,108 0.645,109 0.734,110 0.776,111 0.794,112 3.104,113 0.929,114 -5.1,115 -5,116 -4.68,119 45,120 3,123 1,138 8,139 2,140 1,141 1,142 1,146 1,163 12,165 1,166 3,169 2,171 2,172 15,176 3,181 3,183 12,187 5,192 5,194 5,198 9,203 4,205 2,209 6,217 4,221 2,227 12,238 15,249 11,252 511,253 13.903,254 13.903,255 13.903,256 13.903,257 13.903,258 11.931,259 15.55,260 8.171,261 14.083,262 11.389,263 11.389,264 11.389,265 11.389,266 11.389,267 8.482,268 25.3,269 3.883,270 11.702,271 4.013,272 2.245,273 1.67,274 1.17,275 0.932,276 0.832,277 3.783,282 1,283 1,284 363,285 3.082,288 161.001,292 83.992,295 1.156,296 9.462,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 43.5,308 170,309 4.507,310 3.544,311 7.116,312 4.309,313 3.32,314 4.433,315 0.4,316 11.69,317 3.286,318 4.442,319 3.102,320 6.514,321 4.03,322 3.042,323 3.864,325 10.24,326 3.008,327 3.808,328 2.591,329 5.483,330 3.408,331 2.481,332 3.134,334 7.34,335 2.298,336 3.438,337 2.063,338 5.076,339 2.987,340 2.012,341 2.819,343 5.938,344 1.958,345 3.118,346 1.618,347 4.494,348 2.618,349 1.618,350 2.427,352 4.389,353 1.618,354 2.904,355 1.575,356 4.134,357 2.499,358 1.529,359 2.042,361 3.749,362 1.48,363 2.765,364 1.271,365 3.593,366 2.268,367 1.269,368 1.897,370 2.828,371 1.267,372 2.571,373 1.131,374 3.493,375 2.046,376 1.115,377 1.601,379 2.55,380 1.036,381 2.342,382 0.929,383 3.329,384 1.873,385 0.887,386 1.273,388 2.08,389 0.873,390 1.377,391 0.164,392 2.862,393 0.996,394 0.043,395 0.056,397 0.113,398 0.041,399 0.91,400 -0.441,401 2.706,402 0.447,403 -0.518,404 -0.714,406 -1.274,407 -0.498,408 0.882,409 -0.616,410 2.335,411 0.382,412 -0.618,413 -0.927,415 -1.478,416 -0.618,417 0.658,418 -0.618,419 2,420 0.202,421 -0.754,422 -1,424 -2.035,425 -0.718,426 0.529,427 -0.896,428 2,429 0.036,430 -0.934,431 -1,433 -2.399,434 -0.902,435 0.224,436 -1,437 2,439 -1,440 -1,442 -3,443 -1,444 10.2,445 0.486,446 0.634,447 0.03,448 29.5,449 1.405,450 16.5,451 0.786,452 13,453 0.619,454 15.594,455 0.743,456 21.6,457 0.54,458 18.64,459 0.888,460 5.515,461 0.263,462 4.523,463 0.215,464 0.147,465 0.049,466 0.245,472 0.927,473 1.216,474 0.859,475 1.02,476 1.051,477 0.95,478 0.565,479 0.913,480 0.767,481 0.889,482 0.579,483 0.853,484 1.148,485 1.36,486 1.129,487 1.239,488 1.072,489 1.193,490 1.362,491 0.919,492 0.938,493 0.824,494 1.182,495 0.842,496 1.286,497 1.304,498 1.034,499 1.105,500 1.023,501 1.059,502 2.512,503 0.697,504 1.156,505 0.595,506 1.789,507 0.733,508 1.009,509 0.736,510 0.904,511 0.795,512 0.977,513 0.833,514 0.555,515 1.08,516 1.243,517 1.331,518 0.937,519 1.341,520 5,521 0.037,522 2.444,523 1.438,524 1.036,525 0.514,526 0.305,527 0.318,528 0.243,529 0.121,530 4183,531 8815,532 2.062,533 47.5,534 9,535 8,537 1,538 1,542 1.633,543 1.924,544 3.039,545 -0.385,550 52.353,551 1.309,552 3.077,553 3.652,554 4.152,555 4.39,556 4.49,557 2.429,558 3.69,559 4.37,560 3.171,561 665.891,562 7.488,563 7023.8,565 1,568 212.877,569 1.565,570 4.311,571 0.217,572 0.012,573 0.074,574 0.045,575 0.038,576 0.021,577 0.015,578 0.016,579 0.014,580 0.011,581 0.465,582 0.83,583 1,584 0.819,585 94.016,586 0.009,587 -0.098,588 0.052,589 -0.012,590 -0.152,591 0.017,592 0.44,593 0.156,594 0.178,595 0.103,596 0.36,597 0.116,598 -0.07,599 -0.31,600 -0.179,601 -0.27,602 -0.09,603 -0.24,604 -0.09,605 0.067,606 0.075,607 0.112,608 -0.056,609 0.108,610 -0.008,611 -0.288,612 -0.039,613 -0.17,614 0.069,615 -0.118,616 -0.514,617 0.412,618 -0.096,619 0.259,620 -0.307,621 0.142,622 -0.129,623 0.254,624 0.057,625 0.2,626 -0.004,627 0.154,628 -0.155,629 -0.123,630 -0.346,631 -0.282,632 -0.24,633 -0.321,634 1.238,635 1.624,636 0.762,637 13.111,638 0.984,639 1.12,640 3.869,641 14.967,642 0.678,643 3.178,644 3.526,645 3.738,646 3.97,647 4.205,648 4.159,649 4.29,650 4.331,651 4.431,652 4.344,653 5.096,654 0.632,655 277.4,656 3.178,657 4.727,658 5.565,659 6.45,660 7.307,661 8.192,662 9.055,663 9.938,664 10.805,665 11.686,666 7.5,674 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 40,705 17,706 2,707 23,709 42,710 18,711 14,712 3,713 7,717 3,718 4,721 3,722 1,729 14,730 4,747 19,748 3,749 1,750 3,755 3,760 0.667,771 1,776 3,780 1,796 2,801 3,805 21,811 1,816 1,832 10.917,833 8.15,834 4.472,835 2.363,836 3.439,837 1.505,838 0.975,839 3.443,840 10.254,841 3.481,842 4.127,843 4.725,844 5.327,845 5.907,846 6.098,847 6.51,848 6.88,849 7.307,850 7.385,851 1,852 32,853 7.72,854 3.197,855 7.504,856 15.04,857 12.258,859 2.004,860 42.083,861 0.001,863 1,864 211.88,865 123.892,866 51.582,871 123.892,872 211.88,873 51.582,874 26.476,876 75.81,877 45.342,878 37.718,879 1.899,880 200.109,882 211.88,883 175.473,887 211.88,891 58.19,892 83.713,893 33.571,895 211.88,896 51.582,897 123.892,900 211.88,901 12.559,902 111.333,903 18.011,904 33.571,905 211.88,906 51.582,907 123.892,909 0.591,910 0.33,911 0.173,912 0.097,913 17,914 7,915 0.071,916 3,917 1,918 1.125,919 3.292,920 162.237,921 0.125,922 16,923 85.484,928 13.723,929 5.269,930 2.934,931 2.374,932 51.582,933 18.261,934 8.957,938 2.693,940 18.011,941 387.353,942 31.5,952 39.374,953 44.817,954 0.246,955 0.578,956 0.686,957 0.78,958 0.825,959 0.844,960 4.712,961 1.115,962 5.595,963 2.828,964 4.205,965 4.812,966 0.278,967 6.444,968 4.154,969 5.954,970 0.887,971 7.186,972 2.55,973 4.007,974 4.663,976 7.662,977 3.955,978 7.284,979 0.043,980 8.896,981 2.08,982 5.894,983 7.079,984 0.05,985 10.654,986 5.808,987 8.653,988 -0.518,989 10.679,990 0.113,991 6.494,992 7.726,994 12.658,995 6.414,996 10.052,997 -0.618,998 12.508,999 -1.274,1000 7.926,1001 9.641,1002 0.008,1003 15.255,1004 7.821,1005 11.474,1006 -0.754,1007 14.368,1008 -1.478,1009 8.862,1010 10.691,1012 17.533,1013 8.763,1014 12.914,1015 -0.934,1016 16.249,1017 -2.035,1018 10.127,1019 12.372,1020 0.001,1021 20.015,1022 10.011,1023 3.32,1024 -1,1025 18.146,1026 -2.399,1027 11.204,1028 13.632,1030 22.392,1031 11.089,1032 3.042,1033 11.69,1034 20.054,1035 -3,1036 12.409,1037 15.201,1039 24.841,1040 12.282,1041 2.481,1042 10.24,1043 21.971,1044 4.433,1045 13.545,1046 16.569,1048 27.256,1049 13.415,1050 2.012,1051 7.34,1052 23.895,1053 3.864,1054 14.731,1055 18.086,1057 29.697,1058 14.591,1059 1.618,1060 5.938,1061 25.823,1062 3.134,1063 15.893,1064 19.509,1066 32.128,1067 15.746,1068 1.529,1069 4.389,1070 27.756,1071 2.819,1072 17.074,1073 21.004,1075 34.571,1076 16.918,1077 1.269,1078 3.749,1079 29.693,1080 2.427,1081 18.248,1082 22.455,1084 37.01,1085 18.083,1086 4101,1087 6072,1088 15.197,1089 27.108,1090 35.158,1091 34.69,1092 34.812,1093 34.593,1094 34.633,1095 47.09,1096 0.8,1097 101.833,1098 33.733,1099 5.281,1100 5.544,1101 6.805,1102 5.38,1103 5.32,1104 7.433,1105 0.8,1106 18.687,1107 5.286,1108 9.657,1109 1.529,1110 1.508,1111 1.514,1112 1.504,1113 1.506,1114 2.047,1115 0.035,1116 4.428,1117 1.467,1118 4.092,1119 4.118,1120 4.048,1121 4.043,1122 5.025,1123 4.041,1124 3.9,1125 3.947,1126 3.843,1127 3.78,1128 4.868,1129 3.787,1130 3.557,1131 3.628,1132 3.435,1133 3.411,1134 4.355,1135 3.409,1136 3.451,1137 3.5,1138 3.338,1139 3.343,1140 4.282,1141 3.337,1142 3.125,1143 3.188,1144 3.021,1145 3.001,1146 4.006,1147 2.999,1148 2.874,1149 3.009,1150 2.706,1151 2.658,1152 3.808,1153 2.666,1154 2.874,1155 3.009,1156 2.537,1157 2.618,1158 3.643,1159 2.57,1160 2.831,1161 2.904,1162 2.499,1163 2.618,1164 3.467,1165 2.57,1166 0.196,1167 0.154,1168 0.309,1169 0.187,1170 0.144,1171 4.507,1172 0.193,1173 3.544,1174 0.017,1175 7.116,1176 0.508,1177 4.309,1178 0.143,1179 3.32,1180 4.433,1181 0.4,1182 11.69,1183 3.286,1184 2.071,1185 2.052,1186 2.153,1187 2.137,1188 1.286,1189 2.143,1190 1.862,1191 1.818,1192 2.024,1193 2.007,1194 1.223,1195 2.011,1196 1.535,1197 1.475,1198 1.719,1199 1.736,1200 0.719,1201 1.743,1202 1.462,1203 1.412,1204 1.651,1205 1.588,1206 0.668,1207 1.613,1208 1.111,1209 1.059,1210 1.417,1211 1.29,1212 0.469,1213 1.308,1214 0.934,1215 0.804,1216 1.417,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.304,1223 1.239,1224 0.382,1225 1.3,1226 0.81,1227 0.737,1228 1.066,1229 1.029,1230 0.088,1231 1.053,1232 3.85,1233 5.187,1235 6.725,1237 8.349,1239 10.015,1241 6.449,1248 3.337,1253 0.012,1257 25.279,1258 52.353,1259 123.064,1260 146.083,1261 166.083,1262 175.593,1263 179.593,1264 25.112,1265 6.816,1266 37.81,1267 37.81,1268 18,1269 12.224,1270 4.17,1271 3.248,1272 32.138,1273 65,1274 49,1275 0.249,1276 158.216,1277 262.06,1278 377.807,1279 7698,1281 14.872,1282 0.708,1283 0.6,1284 14.872,1285 12.591,1286 10.038,1287 0.436,1288 0.31,1289 7.075,1290 9.848,1291 6.737,1292 5.714,1293 10.038,1294 7.122,1295 9.731,1296 0.295,1297 0.187,1298 9.731,1299 6.167,1300 7.367,1301 0.18,1302 0.084,1303 7.367,1304 3.46,1305 6.084,1306 0.117,1307 0.044,1308 6.084,1309 2.291,1310 5.129,1311 0.078,1312 0.023,1313 5.129,1314 1.524,1315 0.382,1316 61.498,1317 0.257,1318 20.557,1319 0.706,1320 112,1321 255.623,1322 117.995,1323 261.623,1324 372.13,1325 246,1326 130,1327 288.535,1328 136.162,1329 299.939,1330 434.29,1331 281,1332 4.602}
{0 CHEMBL2105686,1 1.456,2 21.18,3 7.898,4 62.377,5 207.363,6 6.834,7 0.426,8 4.682,9 4.804,10 4.228,11 4.237,12 5.665,13 4.175,14 5.251,15 5.441,16 4.522,17 4.625,18 6.174,19 4.532,20 5.528,21 5.749,22 4.641,23 4.802,24 6.44,25 4.684,26 5.631,27 5.872,28 4.659,29 4.868,30 6.538,31 4.736,32 5.64,33 5.868,34 4.639,35 4.885,36 6.59,37 4.752,38 5.664,39 5.911,40 4.594,41 4.866,42 6.568,43 4.721,44 5.607,45 5.853,46 4.542,47 4.817,48 6.482,49 4.673,50 5.555,51 5.8,52 4.512,53 4.776,54 6.499,55 4.637,56 0.1,57 1.429,58 25.27,59 10.462,60 14.811,61 13.872,62 0.41,63 2.327,64 46.303,65 17.364,66 38.494,67 23.358,68 0.628,69 2.918,70 62.262,71 22.404,72 67.879,73 30.642,74 0.675,75 3.192,76 69.878,77 24.617,78 82.126,79 33.927,80 0.573,81 3.161,82 68.379,83 25.902,84 90.15,85 35.386,86 0.698,87 3.205,88 70.495,89 26.172,90 93.05,91 36.009,92 0.551,93 3.041,94 66.985,95 24.675,96 76.112,97 34.053,98 0.614,99 2.874,100 60.941,101 23.308,102 102.836,103 32.428,104 60,105 72,106 0.211,107 0.517,108 0.739,109 0.854,110 0.87,111 0.87,112 3.934,113 1.075,114 -5.83,115 -5.69,116 -5.3,119 40.2,120 4,121 5,122 1,125 7,134 1,135 1,138 11,139 3,140 4,141 1,148 1,151 1,153 1,163 20,165 1,166 9,169 1,171 3,172 20,175 1,176 14,181 4,183 19,186 1,187 11,192 2,194 20,197 1,198 11,203 1,205 28,208 1,209 14,212 2,214 2,217 25,221 11,226 2,227 20,230 1,231 8,234 1,236 3,238 22,241 1,242 11,245 1,247 4,249 23,252 7488,253 34.153,254 34.153,255 34.153,256 34.153,257 34.153,258 31.057,259 36.476,260 20.847,261 35.035,262 26.643,263 26.643,264 26.643,265 26.643,266 26.643,267 21.773,268 41.106,269 9.842,270 28.026,271 5.216,272 3.102,273 1.565,274 0.77,275 0.657,276 0.657,277 4.636,284 2249,285 5.148,287 169.474,288 495.958,290 203.364,294 303.407,295 3.536,296 42.315,299 0.5,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.68,307 106,308 1059,309 4.441,310 4.797,311 6.551,312 4.085,313 3.106,314 4.098,315 3.272,316 10.398,317 3.048,318 4.288,319 3.607,320 6.218,321 3.86,322 2.947,323 3.883,324 1.058,325 9.301,326 2.814,327 4.182,328 3.228,329 6.123,330 3.816,331 2.828,332 3.748,333 0.86,334 8.996,335 2.695,336 4.12,337 3.145,338 6.05,339 3.742,340 2.775,341 3.693,342 0.86,343 8.711,344 2.672,345 4.018,346 2.943,347 5.961,348 3.618,349 2.683,350 3.396,351 0.8,352 8.38,353 2.506,354 3.732,355 2.729,356 5.36,357 3.384,358 2.438,359 3.093,361 6.974,362 2.308,363 3.668,364 2.662,365 5.313,366 3.26,367 2.317,368 3.002,370 6.843,371 2.179,372 3.365,373 2.462,374 5.223,375 3.182,376 2.206,377 2.46,379 6.375,380 2.097,381 3.025,382 2.387,383 4.556,384 2.848,385 1.877,386 2.144,388 4.742,389 1.821,390 2.978,391 2.342,392 4.483,393 2.756,394 1.837,395 2.059,397 4.513,398 1.683,399 2.905,400 2.186,401 4.333,402 2.617,403 1.66,404 1.998,406 4.091,407 1.582,408 2.842,409 1.952,410 4.181,411 2.526,412 1.536,413 1.848,415 3.77,416 1.512,417 2.769,418 1.697,419 3.96,420 2.474,421 1.497,422 1.794,424 3.622,425 1.455,426 2.709,427 1.636,428 3.845,429 2.324,430 1.361,431 1.736,433 3.188,434 1.298,435 2.539,436 1.464,437 3.838,438 2.273,439 1.334,440 1.519,442 2.909,443 1.237,444 24.267,445 0.485,446 1.006,447 0.02,448 59,449 1.18,450 28,451 0.56,452 31,453 0.62,454 57.411,455 1.148,456 55.533,457 0.544,458 53.003,459 1.06,460 10.839,461 0.217,462 13.499,463 0.27,464 0.11,466 0.294,472 0.736,473 1.364,474 0.887,475 1.187,476 0.631,477 1.075,478 1.063,479 1.093,480 1.017,481 1.025,482 0.656,483 0.986,484 1.1,485 1.064,486 1.002,487 0.997,488 0.921,489 0.979,490 1.085,491 0.93,492 1.023,493 0.946,494 1.093,495 0.937,496 1.013,497 1.09,498 0.996,499 1.079,500 1.243,501 1.056,502 0.955,503 0.988,504 0.968,505 0.988,506 1.132,507 0.992,508 0.959,509 1.031,510 0.979,511 1.025,512 0.971,513 1.008,514 0.893,515 0.959,516 0.847,517 0.915,518 1.049,519 0.967,520 9,521 0.409,522 5.111,523 2.632,524 2.338,525 2.045,526 1.163,527 0.821,528 0.633,529 0.495,530 53207,531 118094,532 2.062,533 51,534 16,535 26,537 2,538 1,540 7,542 1.852,543 1.948,544 4.269,545 -0.46,550 148.505,551 1.456,552 3.571,553 5.108,554 5.903,555 6.015,556 6.015,557 3.773,558 5.254,559 5.601,560 4.491,561 5501.08,562 9.972,563 120599,568 680.587,569 1.323,570 5.583,571 0.167,572 0.007,573 0.071,574 0.034,575 0.03,576 0.026,577 0.016,578 0.012,579 0.009,580 0.007,581 0.377,582 0.17,583 0.5,584 1.531,585 307.647,586 0.048,587 -0.147,588 0.116,589 -0.046,590 -0.037,592 -0.017,593 0.029,594 0.015,595 0.031,596 0.04,597 0.028,598 -0.014,599 -0.012,600 0.021,601 0.026,602 0.01,603 0.019,604 -0.062,605 0.114,606 0.009,607 0.065,608 -0.008,609 0.052,610 -0.016,611 -0.086,612 -0.031,613 -0.067,614 0.003,615 -0.046,616 0.017,617 0.005,618 -0.002,619 0.001,620 -0.015,621 0.004,622 -0.039,623 -0.031,624 -0.011,625 -0.028,626 -0.039,627 -0.007,628 0.037,629 0.026,630 0.043,631 0.04,632 0.079,633 0.03,634 2.436,635 6.698,636 0.58,637 101.162,638 0.99,639 1.125,640 4.599,641 21.147,642 0.655,643 4.007,644 4.29,645 4.533,646 4.771,647 4.984,648 5.124,649 5.303,650 5.438,651 5.58,652 5.7,653 11.618,654 0.606,655 697.04,656 4.007,657 5.533,658 6.365,659 7.223,660 8.075,661 8.942,662 9.803,663 10.675,664 11.542,665 12.418,666 3.9,672 1,673 1,674 1,676 1,681 13,682 1,686 8,687 1,688 23,699 1,701 1,703 102,705 26,706 3,707 54,709 106,710 41,711 21,712 7,713 11,714 3,717 5,718 6,721 4,724 2,727 5,729 24,730 17,731 1,733 3,737 2,739 1,741 2,742 1,747 52,748 7,749 1,750 9,751 1,753 1,755 4,760 0.8,761 4,775 1,776 3,778 1,782 1,783 1,788 1,789 1,795 1,796 4,799 1,801 4,805 50,807 1,810 12,811 1,812 2,814 1,815 1,825 3.9,828 2,829 1,830 1,832 25.667,833 19.183,834 11.333,835 6.788,836 4.457,837 1.482,838 0.964,839 14.455,840 13.712,841 4.241,842 4.769,843 5.304,844 5.832,845 6.327,846 6.629,847 7.054,848 7.413,849 7.797,850 8.162,851 0.933,852 78,853 18.655,854 7.755,855 7.574,856 36.491,857 29.788,859 2.074,860 103.722,864 600.326,865 251.993,866 39.82,868 69.301,870 19.133,871 232.86,872 669.627,873 39.82,874 35.301,875 51.677,876 132.848,877 111.952,878 50.121,879 2.757,880 576.784,882 600.326,883 272.679,884 69.301,885 19.133,887 517.928,888 140.699,889 11,891 106.543,892 139.874,893 26.262,894 19.133,895 600.326,896 109.121,897 251.993,900 619.459,901 66.178,902 171.705,903 18.011,904 86.087,905 600.326,906 109.121,907 251.993,909 0.564,910 0.321,911 0.173,912 0.095,913 29,914 14,915 0.16,916 17,917 1,918 1.069,919 5.815,920 515.485,921 0.069,922 29,923 268.193,926 1,928 37.704,929 19.169,930 10.976,932 107.222,933 25.628,934 4.228,938 7.524,939 2.053,940 18.011,941 961.44,942 68.5,946 26.816,948 2.055,950 0.63,951 -1.214,952 100.999,953 114.716,954 0.218,955 0.535,956 0.765,957 0.885,958 0.902,959 0.902,960 5.467,961 2.206,962 6.323,963 6.843,964 4.977,965 5.457,966 3.353,967 7.089,968 4.886,969 6.638,970 1.877,971 7.851,972 6.375,973 4.443,974 5.139,975 0.325,976 7.901,977 4.309,978 7.92,979 1.837,980 9.481,981 4.742,982 6.524,983 7.561,984 5.462,985 10.985,986 6.349,987 9.239,988 1.66,989 11.171,990 4.513,991 6.836,992 8.092,993 0.268,994 12.638,995 6.621,996 10.591,997 1.536,998 12.901,999 4.091,1000 8.342,1001 9.959,1002 7.809,1003 15.21,1004 8.095,1005 11.967,1006 1.497,1007 14.658,1008 3.77,1009 9.051,1010 10.882,1011 0.188,1012 17.209,1013 8.767,1014 13.36,1015 1.361,1016 16.433,1017 3.622,1018 10.315,1019 12.506,1020 10.178,1021 19.599,1022 10.005,1023 3.106,1024 1.334,1025 18.222,1026 3.188,1027 11.218,1028 13.628,1029 0.125,1030 21.753,1031 10.875,1032 2.947,1033 10.398,1034 20.022,1035 2.909,1036 12.377,1037 15.132,1038 12.548,1039 24.078,1040 12.011,1041 2.828,1042 9.301,1043 21.829,1044 4.098,1045 13.375,1046 16.362,1047 0.082,1048 26.306,1049 12.982,1050 2.775,1051 8.996,1052 23.643,1053 3.883,1054 14.491,1055 17.805,1056 14.919,1057 28.611,1058 14.076,1059 2.683,1060 8.711,1061 25.462,1062 3.748,1063 15.537,1064 19.097,1065 0.054,1066 30.878,1067 15.098,1068 2.438,1069 8.38,1070 27.286,1071 3.693,1072 16.638,1073 20.508,1074 17.29,1075 33.181,1076 16.179,1077 2.317,1078 6.974,1079 29.113,1080 3.396,1081 17.709,1082 21.836,1083 0.035,1084 35.469,1085 17.229,1086 51072,1087 76464,1088 36.175,1089 66.762,1090 79.237,1091 82.633,1092 81.193,1093 78.479,1094 78.447,1095 98.711,1096 13.701,1097 215.716,1098 74.944,1099 5.4,1100 6.797,1101 6.515,1102 5.216,1103 5.106,1104 7.098,1105 6.545,1106 17.343,1107 5.048,1108 25.848,1109 1.467,1110 1.53,1111 1.504,1112 1.453,1113 1.453,1114 1.828,1115 0.254,1116 3.995,1117 1.388,1118 4.08,1119 4.111,1120 4.363,1121 4.018,1122 7.429,1123 4.009,1124 3.994,1125 4.032,1126 4.008,1127 3.948,1128 7.396,1129 3.907,1130 3.898,1131 3.934,1132 3.86,1133 3.776,1134 4.932,1135 3.78,1136 3.853,1137 3.886,1138 3.801,1139 3.742,1140 4.888,1141 3.756,1142 3.711,1143 3.768,1144 3.696,1145 3.562,1146 4.724,1147 3.55,1148 3.677,1149 3.735,1150 3.558,1151 3.544,1152 4.698,1153 3.536,1154 3.629,1155 3.666,1156 3.523,1157 3.519,1158 4.566,1159 3.506,1160 3.513,1161 3.584,1162 3.501,1163 3.408,1164 4.296,1165 3.353,1166 0.082,1167 0.089,1168 0.121,1169 0.076,1170 0.058,1171 4.441,1172 0.076,1173 4.797,1174 0.061,1175 6.551,1176 0.193,1177 4.085,1178 0.056,1179 3.106,1180 4.098,1181 3.272,1182 10.398,1183 3.048,1184 2.019,1185 1.998,1186 2.112,1187 2.101,1188 1.357,1189 2.106,1190 1.921,1191 1.908,1192 2,1193 2,1194 1.243,1195 2.017,1196 1.844,1197 1.815,1198 1.981,1199 1.965,1200 1.235,1201 1.976,1202 1.725,1203 1.666,1204 1.964,1205 1.921,1206 1.204,1207 1.929,1208 1.693,1209 1.632,1210 1.946,1211 1.889,1212 1.167,1213 1.915,1214 1.686,1215 1.625,1216 1.925,1217 1.846,1218 1.144,1219 1.877,1220 1.624,1221 1.585,1222 1.805,1223 1.759,1224 0.994,1225 1.776,1226 1.504,1227 1.46,1228 1.712,1229 1.667,1230 0.931,1231 1.693,1232 4.691,1233 5.984,1234 2.398,1235 7.455,1236 4.595,1237 9.015,1238 6.555,1239 10.627,1241 8.749,1247 9.699,1248 3.098,1249 11.5,1251 0.508,1252 2.447,1257 61.775,1258 148.505,1259 364.216,1260 520.985,1261 602.058,1262 613.568,1263 613.568,1264 119.51,1265 9.255,1266 85.69,1267 104.9,1268 31,1269 12.959,1270 4.755,1271 3.954,1272 90.635,1273 334,1274 466,1275 0.124,1276 383.326,1277 675.81,1278 927.076,1279 188718,1281 35.296,1282 0.706,1283 0.617,1284 35.585,1285 30.845,1286 24.338,1287 0.451,1288 0.358,1289 17.961,1290 22.951,1291 17.284,1292 14.49,1293 24.998,1294 19.354,1295 21.097,1296 0.293,1297 0.204,1298 21.939,1299 14.723,1300 17.097,1301 0.186,1302 0.109,1303 18.004,1304 10.049,1305 14.139,1306 0.121,1307 0.062,1308 15.01,1309 7.243,1310 11.212,1311 0.077,1312 0.035,1313 12.058,1314 5.094,1315 0.203,1316 157.744,1317 0.166,1318 43.908,1319 0.321,1320 252,1321 661.071,1322 299.478,1323 658.026,1324 901.63,1325 618,1326 290,1327 639.142,1328 338.431,1329 672.952,1330 975.37,1331 632,1332 5.959}
{0 CHEMBL2113066,1 1.447,2 12.462,3 5.004,4 25.043,5 111.046,6 6.714,7 0.444,8 4.068,9 4.207,10 3.536,11 3.578,12 5.033,13 3.516,14 4.627,15 4.843,16 3.833,17 3.922,18 5.509,19 3.828,20 4.88,21 5.136,22 3.922,23 4.058,24 5.732,25 3.93,26 4.922,27 5.186,28 3.761,29 4.083,30 5.673,31 3.906,32 4.98,33 5.274,34 3.661,35 4.072,36 5.694,37 3.871,38 4.915,39 5.221,40 3.721,41 4.001,42 5.63,43 3.824,44 4.784,45 5.052,46 3.685,47 3.94,48 5.599,49 3.781,50 4.799,51 5.094,52 3.563,53 3.857,54 5.57,55 3.681,56 0.052,57 0.77,58 13.279,59 5.282,60 9.08,61 7.604,62 0.193,63 1.187,64 24.728,65 8.213,66 21.863,67 12.205,68 0.454,69 1.395,70 34.456,71 10.242,72 38.505,73 15.302,74 0.285,75 1.403,76 34.818,77 12.118,78 29.668,79 17.323,80 0.366,81 1.443,82 37.154,83 12.54,84 35.362,85 18.267,86 0.299,87 1.37,88 33.642,89 11.102,90 32.792,91 16.711,92 0.242,93 1.266,94 29.977,95 9.615,96 30.419,97 14.42,98 0.364,99 1.19,100 31.375,101 9.347,102 35.455,103 14.085,104 27,105 34,106 0.242,107 0.539,108 0.746,109 0.845,110 0.851,111 0.851,112 3.303,113 1.09,114 -4.4,115 -4.33,116 -4.08,119 37.5,120 3,121 2,125 4,127 1,138 6,140 3,141 1,142 1,163 4,166 6,171 4,172 5,175 1,176 5,181 1,183 4,187 1,190 1,194 8,198 3,201 2,205 5,209 5,217 3,221 6,226 3,227 4,231 1,236 3,238 3,241 1,247 1,249 7,252 1152,253 17.654,254 17.654,255 17.654,256 17.654,257 17.654,258 16.126,259 25.494,260 10.756,261 18.203,262 13.198,263 13.198,264 13.198,265 13.198,266 13.198,267 10.989,268 37.358,269 4.96,270 14.068,271 4.361,272 2.585,273 1.349,274 0.755,275 0.719,276 0.719,277 3.97,279 1,282 1,283 1,284 659,285 4,288 197.438,295 2.231,296 15.771,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 54.833,308 324,309 4.171,310 3.262,311 6.024,312 3.738,313 2.815,314 3.78,315 1.151,316 8.565,317 2.636,318 4.07,319 2.916,320 5.645,321 3.66,322 2.712,323 3.668,324 0.8,325 7.879,326 2.493,327 3.508,328 2.784,329 5.276,330 3.39,331 2.46,332 2.684,333 0.4,334 6.666,335 2.3,336 3.427,337 2.612,338 5.169,339 3.269,340 2.323,341 2.451,343 6.468,344 2.183,345 3.113,346 2.189,347 4.704,348 2.879,349 1.913,350 2.181,352 5.181,353 1.843,354 2.912,355 1.959,356 4.199,357 2.462,358 1.526,359 2.08,361 3.879,362 1.432,363 2.844,364 1.555,365 3.605,366 2.341,367 1.414,368 1.977,370 2.986,371 1.232,372 2.667,373 1.3,374 3.509,375 2.19,376 1.227,377 1.741,379 2.672,380 1.178,381 2.138,382 1.169,383 3.362,384 2.075,385 1.101,386 1.133,388 2.322,389 1.07,390 1.881,391 0.961,392 3.152,393 1.591,394 0.648,395 0.777,397 1.501,398 0.6,399 1.618,400 0.744,401 2.761,402 1.546,403 0.618,404 0.618,406 0.791,407 0.571,408 1.213,409 0.43,410 2.618,411 1.121,412 0.155,413 0.159,415 0.276,416 0.149,417 1.135,418 0.294,419 2.396,420 0.754,421 -0.129,422 -0.156,424 -0.288,425 -0.093,426 0.96,427 -0.076,428 2.208,429 0.712,430 -0.208,431 -0.233,433 -0.458,434 -0.196,435 0.728,436 -0.239,437 2,438 0.382,439 -0.597,440 -0.612,442 -1.094,443 -0.523,444 12.748,445 0.49,446 0.468,447 0.018,448 29,449 1.115,450 13,451 0.5,452 16,453 0.615,454 25.131,455 0.967,456 29.852,457 0.533,458 18.773,459 0.722,460 5.501,461 0.212,462 7.116,463 0.274,464 0.174,466 0.227,472 0.846,473 1.526,474 0.784,475 1.205,476 0.827,477 1.128,478 1.204,479 1.27,480 0.833,481 1.009,482 0.812,483 1,484 1.168,485 0.924,486 0.934,487 0.895,488 0.877,489 0.925,490 0.948,491 1.065,492 0.962,493 1.083,494 0.864,495 1.081,496 0.744,497 0.915,498 0.903,499 0.962,500 0.842,501 0.967,502 0.638,503 0.905,504 0.616,505 0.784,506 0.581,507 0.787,508 0.986,509 1.133,510 0.914,511 1.009,512 0.963,513 1.024,514 1.205,515 0.853,516 0.877,517 0.812,518 1.079,519 0.864,520 5,521 0.112,522 2.222,523 1.375,524 0.804,525 0.632,526 0.347,527 0.271,528 0.18,529 0.17,530 8439,531 18973,532 1.974,533 53.6,535 15,537 1,538 1,540 13,542 1.686,543 1.857,544 3.602,545 -0.37,550 81.012,551 1.447,552 3.222,553 4.458,554 5.053,555 5.088,556 5.088,557 3.061,558 4.239,559 4.67,560 3.81,561 1238.25,562 8.067,563 16811.4,565 1,568 325.212,569 1.335,570 4.634,571 0.185,572 0.006,573 0.065,574 0.04,575 0.028,576 0.023,577 0.012,578 0.01,579 0.008,580 0.008,581 0.386,582 0.33,583 0.88,584 1.966,585 131.455,586 0.012,587 -0.228,588 0.03,589 -0.097,590 -0.026,591 -0.037,592 -0.07,593 -0.122,594 0.032,595 -0.019,596 0.095,597 -0.006,598 0.054,599 0.14,600 0.028,601 0.052,602 0.15,603 0.03,604 -0.014,605 -0.08,606 -0.045,607 -0.088,608 0.018,609 -0.086,610 0.068,611 0.025,612 -0.003,614 0.013,615 0.007,616 0.101,617 0.037,618 0.187,619 0.144,620 0.194,621 0.17,622 -0.062,623 -0.097,624 -0.019,625 -0.055,626 0.006,627 -0.055,628 -0.071,629 0.105,630 0.033,631 0.101,632 -0.063,633 0.068,634 1.102,635 2.271,636 0.462,637 29.254,638 0.988,639 1.133,640 3.17,641 10.048,642 0.643,643 3.332,644 3.555,645 3.714,646 3.829,647 3.932,648 3.892,649 3.912,650 3.97,651 4.025,652 4.06,653 7.512,654 0.589,655 375.99,656 3.332,657 4.812,658 5.602,659 6.418,660 7.22,661 8.041,662 8.848,663 9.672,664 10.482,665 11.308,666 5.4,669 1,671 1,676 1,681 7,682 1,686 4,688 12,697 1,701 1,702 1,703 56,705 12,706 1,707 27,709 57,710 21,711 11,712 2,713 4,717 2,718 2,719 1,721 3,727 3,729 11,730 10,747 30,748 4,749 1,750 5,751 1,755 3,760 1,761 1,770 1,776 2,792 1,796 2,801 3,802 1,805 26,810 6,811 1,812 1,814 1,815 1,824 1,825 1.8,830 1,832 14,833 10.626,834 6.111,835 3.772,836 2.196,837 1.329,838 0.925,839 9.062,840 8.876,841 3.526,842 3.989,843 4.419,844 4.844,845 5.277,846 5.188,847 5.339,848 5.634,849 5.948,850 6.243,851 1,852 34,853 9.602,854 3.764,855 7.504,856 18.879,857 14.636,859 2.004,860 52.111,863 1,864 341.362,865 122.617,866 37.921,867 39.149,868 11,871 122.617,872 391.51,873 37.921,874 26.476,875 15.979,876 56.857,877 46.567,878 37.429,880 329.591,881 39.149,882 341.362,883 160.537,884 11,885 39.149,887 188.338,888 164.024,891 57.383,892 68.358,893 73.945,895 341.362,896 48.92,897 161.765,900 341.362,901 30.236,902 95.505,903 18.011,904 66.934,905 341.362,906 48.92,907 161.765,909 0.555,910 0.318,911 0.155,912 0.074,913 12,914 6,915 0.193,916 11,918 1,919 3.914,920 188.928,922 12,923 118.211,928 20.852,929 11.299,930 7.371,932 48.92,933 13.338,934 4.384,938 3.251,940 18.011,941 552.048,942 33,952 55.327,953 63.461,954 0.249,955 0.555,956 0.768,957 0.87,958 0.876,959 0.876,960 4.71,961 1.227,962 5.533,963 2.986,964 4.234,965 4.673,966 1.595,967 6.213,968 4.107,969 5.842,970 1.101,971 7.015,972 2.672,973 3.611,974 4.205,975 0.325,976 6.862,977 3.359,978 7.087,979 0.648,980 8.59,981 2.322,982 5.707,983 6.688,984 1.613,985 9.852,986 5.454,987 8.365,988 0.618,989 10.219,990 1.501,991 5.889,992 7.024,993 0.268,994 11.297,995 5.491,996 9.673,997 0.155,998 11.883,999 0.791,1000 7.414,1001 8.995,1002 1.779,1003 13.768,1004 7.024,1005 11.002,1006 -0.129,1007 13.57,1008 0.276,1009 7.987,1010 9.736,1011 0.188,1012 15.559,1013 7.452,1014 12.348,1015 -0.208,1016 15.274,1017 -0.288,1018 9.25,1019 11.455,1020 1.991,1021 17.829,1022 8.714,1023 2.815,1024 -0.597,1025 16.989,1026 -0.458,1027 10.026,1028 12.421,1029 0.125,1030 19.786,1031 9.357,1032 2.712,1033 8.565,1034 18.714,1035 -1.094,1036 11.162,1037 13.993,1038 2.225,1039 21.972,1040 10.475,1041 2.46,1042 7.879,1043 20.447,1044 3.78,1045 12.046,1046 15.091,1047 0.082,1048 24.013,1049 11.242,1050 2.323,1051 6.666,1052 22.187,1053 3.668,1054 13.119,1055 16.572,1056 2.473,1057 26.164,1058 12.283,1059 1.913,1060 6.468,1061 23.931,1062 2.684,1063 14.062,1064 17.751,1065 0.054,1066 28.247,1067 13.122,1068 1.526,1069 5.181,1070 25.681,1071 2.451,1072 15.104,1073 19.174,1074 2.73,1075 30.384,1076 14.12,1077 1.414,1078 3.879,1079 27.434,1080 2.181,1081 16.08,1082 20.404,1083 0.035,1084 32.491,1085 15.004,1086 8539,1087 13124,1088 17.682,1089 35.989,1090 37.813,1091 38.605,1092 39.606,1093 38.036,1094 37.825,1095 46.498,1096 4.702,1097 98.372,1098 35.374,1099 5.107,1100 5.262,1101 5.714,1102 4.803,1103 4.815,1104 6.78,1105 2.302,1106 14.523,1107 4.636,1108 13.679,1109 1.4,1110 1.43,1111 1.467,1112 1.409,1113 1.401,1114 1.722,1115 0.174,1116 3.643,1117 1.31,1118 3.956,1119 3.995,1120 4.007,1121 3.854,1122 5.008,1123 3.855,1124 3.861,1125 3.89,1126 3.849,1127 3.775,1128 4.872,1129 3.776,1130 3.776,1131 3.845,1132 3.642,1133 3.614,1134 4.423,1135 3.61,1136 3.599,1137 3.676,1138 3.444,1139 3.425,1140 4.355,1141 3.418,1142 3.306,1143 3.407,1144 3.297,1145 3.123,1146 4.277,1147 3.089,1148 3.278,1149 3.363,1150 3.118,1151 3.089,1152 4.224,1153 3.08,1154 3.201,1155 3.258,1156 3.04,1157 3.018,1158 3.892,1159 3.008,1160 2.88,1161 2.947,1162 3.004,1163 2.804,1164 3.851,1165 2.775,1166 0.154,1167 0.121,1168 0.223,1169 0.138,1170 0.104,1171 4.171,1172 0.14,1173 3.262,1174 0.043,1175 6.024,1176 0.317,1177 3.738,1178 0.098,1179 2.815,1180 3.78,1181 1.151,1182 8.565,1183 2.636,1184 1.889,1185 1.864,1186 2.031,1187 2.032,1188 1.342,1189 2.032,1190 1.845,1191 1.81,1192 1.972,1193 1.965,1194 1.133,1195 1.975,1196 1.751,1197 1.685,1198 1.935,1199 1.926,1200 1.058,1201 1.935,1202 1.598,1203 1.521,1204 1.859,1205 1.798,1206 1.002,1207 1.823,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.637,1217 1.523,1218 0.84,1219 1.566,1220 1.177,1221 1.124,1222 1.442,1223 1.41,1224 0.601,1225 1.422,1226 0.87,1227 0.824,1228 1.261,1229 1.136,1230 0.437,1231 1.184,1232 4.007,1233 5.252,1235 6.683,1237 8.195,1239 9.745,1241 6.658,1242 6.121,1247 6.143,1248 3.561,1249 5.771,1251 0.422,1252 2.462,1257 32.982,1258 81.012,1259 180.433,1260 249.663,1261 282.947,1262 284.947,1263 284.947,1264 47.875,1265 6.68,1266 37.39,1267 37.39,1268 12,1269 11.888,1270 3.7,1271 2.807,1272 55.308,1273 116,1274 108,1275 0.226,1276 212.57,1277 366.5,1278 510.432,1279 7149,1280 1.8,1281 18.778,1282 0.722,1283 0.646,1284 19.278,1285 16.798,1286 12.618,1287 0.467,1288 0.363,1289 9.362,1290 11.939,1291 9.006,1292 7.578,1293 12.906,1294 9.809,1295 10.452,1296 0.307,1297 0.202,1298 10.823,1299 6.877,1300 8.326,1301 0.208,1302 0.119,1303 8.706,1304 4.76,1305 6.289,1306 0.14,1307 0.068,1308 6.558,1309 3.068,1310 4.428,1311 0.089,1312 0.034,1313 4.607,1314 1.723,1315 0.368,1316 81.265,1317 0.238,1318 25.938,1319 0.584,1320 122,1321 313.562,1322 146.918,1323 333.849,1324 447.46,1325 314,1326 135,1327 302.867,1328 157.063,1329 316.787,1330 456.18,1331 298,1332 4.77}
{0 CHEMBL2113068,1 1.524,2 13.111,3 5.669,4 32.134,5 115.851,6 7.329,7 0.429,8 4.074,9 4.207,10 3.616,11 3.602,12 5.056,13 3.541,14 4.633,15 4.842,16 3.95,17 3.955,18 5.551,19 3.864,20 4.89,21 5.135,22 4.039,23 4.098,24 5.78,25 3.97,26 4.929,27 5.185,28 3.999,29 4.121,30 5.739,31 3.944,32 4.983,33 5.274,34 3.755,35 4.079,36 5.728,37 3.883,38 4.917,39 5.22,40 3.788,41 4.016,42 5.643,43 3.842,44 4.792,45 5.051,46 3.766,47 3.969,48 5.635,49 3.809,50 4.805,51 5.093,52 3.726,53 3.886,54 5.622,55 3.717,56 0.033,57 0.76,58 12.522,59 5.268,60 7.966,61 7.4,62 0.181,63 1.174,64 25.005,65 8.471,66 22.628,67 12.127,68 0.479,69 1.379,70 37.423,71 10.797,72 41.04,73 15.446,74 0.356,75 1.397,76 41.007,77 12.708,78 36.701,79 17.593,80 0.451,81 1.447,82 39.808,83 12.962,84 41.369,85 18.544,86 0.313,87 1.371,88 35.534,89 11.612,90 34.288,91 17.036,92 0.265,93 1.257,94 32.613,95 10.114,96 32.888,97 14.611,98 0.421,99 1.182,100 33.977,101 9.806,102 40.838,103 14.317,104 36,105 36,106 0.255,107 0.551,108 0.758,109 0.851,110 0.851,111 0.851,112 3.338,113 1.102,114 -4.88,115 -4.79,116 -4.49,119 37.5,120 3,121 2,125 4,127 1,138 5,140 4,141 1,142 1,163 2,166 6,171 4,172 6,175 1,176 5,181 1,183 4,190 1,194 9,198 4,201 2,205 5,209 5,217 3,221 5,226 3,227 3,231 2,236 3,238 4,241 1,249 6,252 1261,253 18.102,254 18.102,255 18.102,256 18.102,257 18.102,258 16.549,259 27.095,260 10.889,261 18.787,262 13.682,263 13.682,264 13.682,265 13.682,266 13.682,267 11.4,268 38.64,269 5.032,270 14.814,271 4.283,272 2.513,273 1.279,274 0.719,275 0.719,276 0.719,277 4.005,279 2,283 1,284 718,285 4.062,288 206.275,295 2.263,296 19.269,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 57.167,308 354,309 4.234,310 3.311,311 6.06,312 3.773,313 2.864,314 3.881,315 1.151,316 8.714,317 2.638,318 4.077,319 2.937,320 5.645,321 3.681,322 2.724,323 3.673,324 0.8,325 7.884,326 2.525,327 3.524,328 2.79,329 5.276,330 3.392,331 2.461,332 2.79,333 0.4,334 6.667,335 2.302,336 3.459,337 2.763,338 5.172,339 3.274,340 2.332,341 2.665,343 6.48,344 2.184,345 3.413,346 2.589,347 4.956,348 2.99,349 2.119,350 2.45,352 5.805,353 1.856,354 3.105,355 2.18,356 4.701,357 2.85,358 1.894,359 2.172,361 5.167,362 1.707,363 2.847,364 1.958,365 4.17,366 2.358,367 1.473,368 1.977,370 3.764,371 1.238,372 2.67,373 1.33,374 3.514,375 2.193,376 1.232,377 1.744,379 2.684,380 1.179,381 2.138,382 1.178,383 3.362,384 2.075,385 1.101,386 1.133,388 2.322,389 1.07,390 1.964,391 1.086,392 3.237,393 1.623,394 0.747,395 0.882,397 1.734,398 0.631,399 1.618,400 0.744,401 2.766,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.264,409 0.543,410 2.618,411 1.121,412 0.155,413 0.159,415 0.276,416 0.149,417 1.204,418 0.294,419 2.546,420 0.849,426 0.963,427 0.256,428 2.359,429 0.747,430 -0.206,431 -0.231,433 -0.452,434 -0.196,435 0.798,436 -0.076,437 2.208,438 0.383,439 -0.514,440 -0.612,442 -1.095,443 -0.293,444 13.462,445 0.499,446 0.574,447 0.021,448 29.75,449 1.102,450 13,451 0.481,452 16.75,453 0.62,454 27.337,455 1.012,456 30.938,457 0.552,458 19.488,459 0.722,460 5.574,461 0.206,462 7.438,463 0.275,464 0.218,466 0.253,472 0.776,473 1.524,474 0.667,475 1.115,476 0.737,477 1.072,478 1.082,479 1.263,480 0.713,481 0.925,482 0.694,483 0.941,484 1.137,485 0.921,486 0.922,487 0.881,488 0.894,489 0.916,490 0.814,491 1.068,492 0.769,493 1.016,494 0.727,495 1.046,496 0.552,497 0.924,498 0.707,499 0.934,500 0.631,501 0.948,502 0.559,503 0.906,504 0.501,505 0.733,506 0.494,507 0.758,508 0.965,509 1.138,510 0.894,511 1.007,512 0.953,513 1.031,514 1.012,515 0.857,516 0.726,517 0.771,518 0.856,519 0.828,520 6,521 0.132,522 2.444,523 1.563,524 0.996,525 0.688,526 0.386,527 0.333,528 0.221,529 0.22,530 9320,531 24042,532 1.954,533 51.8,535 14,537 1,538 1,540 13,542 1.696,543 1.82,544 3.663,545 -0.346,550 85.337,551 1.524,552 3.294,553 4.528,554 5.088,555 5.088,556 5.088,557 3.134,558 4.533,559 4.724,560 3.867,561 1357.38,562 8.174,563 18948.3,568 325.212,569 1.427,570 4.677,571 0.214,572 0.006,573 0.068,574 0.043,575 0.032,576 0.025,577 0.013,578 0.012,579 0.009,580 0.01,581 0.432,582 0.33,583 0.88,584 1.961,585 138.36,586 -0.005,587 -0.227,588 0.019,589 -0.087,590 -0.039,591 -0.035,592 -0.069,593 -0.112,594 0.056,595 0.025,596 0.122,597 0.027,598 0.003,599 0.147,600 0.002,601 0.057,602 0.088,603 0.03,604 0.065,605 -0.08,606 0.078,607 -0.043,608 0.106,609 -0.06,610 0.167,611 0.023,612 0.049,613 -0.003,614 0.101,615 0.02,616 0.103,617 0.044,618 0.189,619 0.172,620 0.177,621 0.197,622 -0.085,623 -0.099,624 -0.049,625 -0.068,626 -0.046,627 -0.071,628 0.004,629 0.107,630 0.094,631 0.132,632 0.044,633 0.105,634 1.168,635 2.267,636 0.444,637 30.856,638 0.994,639 1.132,640 3.653,641 13.343,642 0.658,643 3.367,644 3.611,645 3.761,646 3.892,647 4.007,648 3.989,649 3.951,650 4.043,651 4.094,652 4.159,653 7.751,654 0.604,655 410.43,656 3.367,657 4.86,658 5.652,659 6.479,660 7.284,661 8.114,662 8.925,663 9.758,664 10.572,665 11.407,666 5.4,669 1,671 1,676 1,681 6,682 1,686 5,688 12,697 1,701 1,702 2,703 56,705 12,706 1,707 28,709 57,710 21,711 11,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 11,730 10,747 29,748 4,749 1,750 6,751 2,755 3,760 1,761 1,770 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 1,812 1,814 1,815 1,824 2,825 1.8,830 1,832 14.833,833 10.686,834 6.278,835 3.752,836 2.212,837 1.326,838 0.926,839 9.525,840 8.992,841 3.555,842 4.043,843 4.472,844 4.913,845 5.36,846 5.329,847 5.371,848 5.704,849 6.024,850 6.354,851 0.889,852 36,853 9.959,854 3.932,855 7.57,856 19.44,857 15.114,859 2.07,860 55.889,864 329.591,865 116.641,866 37.921,867 78.297,868 11,871 116.641,872 418.888,873 37.921,874 26.476,875 15.979,876 47.381,877 46.567,878 40.93,880 317.82,881 78.297,882 329.591,883 154.562,884 11,885 78.297,887 176.567,888 164.024,891 57.383,892 62.383,893 113.094,895 329.591,896 48.92,897 194.938,900 329.591,901 33.737,902 86.029,903 18.011,904 106.083,905 329.591,906 48.92,907 194.938,909 0.562,910 0.318,911 0.156,912 0.075,913 13,914 7,915 0.193,916 11,918 1,919 3.971,920 200.156,922 12,923 124.382,928 22.124,929 11.624,930 7.764,932 48.92,933 11,934 4.376,938 3.596,940 18.011,941 573.45,942 34,952 55.651,953 63.405,954 0.262,955 0.567,956 0.78,957 0.876,958 0.876,959 0.876,960 4.754,961 1.232,962 5.602,963 3.764,964 4.29,965 4.727,966 1.595,967 6.297,968 4.133,969 5.904,970 1.101,971 7.096,972 2.684,973 3.761,974 4.388,975 0.325,976 6.969,977 3.44,978 7.164,979 0.747,980 8.68,981 2.322,982 5.784,983 6.774,984 1.613,985 9.951,986 5.486,987 8.454,988 0.618,989 10.314,990 1.734,991 6.019,992 7.203,993 0.268,994 11.383,995 5.552,996 9.772,997 0.155,998 11.979,999 0.791,1000 7.503,1001 9.105,1002 1.779,1003 13.87,1004 7.059,1005 11.11,1007 13.666,1008 0.276,1009 8.107,1010 9.915,1011 0.188,1012 15.647,1013 7.504,1014 12.463,1015 -0.206,1016 15.367,1018 9.351,1019 11.589,1020 1.991,1021 17.941,1022 8.753,1023 2.864,1024 -0.514,1025 17.08,1026 -0.452,1027 10.15,1028 12.612,1029 0.125,1030 19.893,1031 9.407,1032 2.724,1033 8.714,1034 18.803,1035 -1.095,1036 11.279,1037 14.157,1038 2.225,1039 22.103,1040 10.519,1041 2.461,1042 7.884,1043 20.534,1044 3.881,1045 12.184,1046 15.305,1047 0.082,1048 24.147,1049 11.295,1050 2.332,1051 6.667,1052 22.272,1053 3.673,1054 13.258,1055 16.772,1056 2.473,1057 26.322,1058 12.332,1059 2.119,1060 6.48,1061 24.016,1062 2.79,1063 14.22,1064 17.995,1065 0.054,1066 28.415,1067 13.179,1068 1.894,1069 5.805,1070 25.766,1071 2.665,1072 15.269,1073 19.414,1074 2.73,1075 30.574,1076 14.177,1077 1.473,1078 5.167,1079 27.52,1080 2.45,1081 16.263,1082 20.683,1083 0.035,1084 32.694,1085 15.066,1086 9456,1087 15648,1088 18.087,1089 36.847,1090 39.483,1091 40.422,1092 41.243,1093 39.813,1094 39.438,1095 48.289,1096 4.702,1097 104.579,1098 36.157,1099 5.169,1100 5.311,1101 5.678,1102 4.843,1103 4.864,1104 6.881,1105 2.302,1106 14.956,1107 4.638,1108 15.748,1109 1.41,1110 1.444,1111 1.473,1112 1.422,1113 1.408,1114 1.725,1115 0.168,1116 3.735,1117 1.291,1118 3.958,1119 3.995,1120 4.09,1121 3.866,1122 5.06,1123 3.864,1124 3.866,1125 3.889,1126 3.856,1127 3.78,1128 4.888,1129 3.782,1130 3.776,1131 3.845,1132 3.643,1133 3.614,1134 4.651,1135 3.61,1136 3.6,1137 3.676,1138 3.59,1139 3.425,1140 4.42,1141 3.418,1142 3.306,1143 3.407,1144 3.444,1145 3.123,1146 4.348,1147 3.089,1148 3.28,1149 3.363,1150 3.19,1151 3.092,1152 4.24,1153 3.084,1154 3.205,1155 3.257,1156 3.04,1157 3.026,1158 3.93,1159 3.014,1160 2.882,1161 2.947,1162 3.034,1163 2.817,1164 3.892,1165 2.787,1166 0.151,1167 0.118,1168 0.216,1169 0.135,1170 0.102,1171 4.234,1172 0.139,1173 3.311,1174 0.041,1175 6.06,1176 0.311,1177 3.773,1178 0.094,1179 2.864,1180 3.881,1181 1.151,1182 8.714,1183 2.638,1184 1.886,1185 1.864,1186 2.031,1187 2.031,1188 1.342,1189 2.031,1190 1.841,1191 1.81,1192 1.956,1193 1.96,1194 1.133,1195 1.968,1196 1.751,1197 1.685,1198 1.905,1199 1.914,1200 1.057,1201 1.923,1202 1.597,1203 1.521,1204 1.855,1205 1.797,1206 1,1207 1.822,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.637,1217 1.523,1218 0.84,1219 1.566,1220 1.175,1221 1.125,1222 1.435,1223 1.402,1224 0.599,1225 1.415,1226 0.869,1227 0.824,1228 1.26,1229 1.136,1230 0.437,1231 1.184,1232 4.043,1233 5.303,1235 6.744,1237 8.266,1239 9.829,1241 6.637,1242 12.052,1247 6.049,1248 3.551,1249 5.767,1251 0.405,1252 2.455,1257 33.809,1258 85.337,1259 184.475,1260 253.563,1261 284.947,1262 284.947,1263 284.947,1264 54.428,1265 6.78,1266 37.39,1267 37.39,1268 12,1269 11.981,1270 3.7,1271 2.807,1272 58.776,1273 125,1274 116,1275 0.224,1276 220.903,1277 381.71,1278 530.764,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.661,1284 20.648,1285 17.855,1286 13.012,1287 0.465,1288 0.367,1289 9.491,1290 12.024,1291 9.099,1292 7.628,1293 13.589,1294 10.287,1295 11.086,1296 0.308,1297 0.207,1298 11.865,1299 7.457,1300 8.646,1301 0.206,1302 0.12,1303 9.262,1304 5.035,1305 6.624,1306 0.138,1307 0.07,1308 7.32,1309 3.372,1310 4.627,1311 0.086,1312 0.034,1313 4.985,1314 1.839,1315 0.366,1316 86.803,1317 0.235,1318 26.776,1319 0.578,1320 128,1321 347.765,1322 168.438,1323 396.006,1324 518.83,1325 370,1326 142,1327 329.729,1328 173.821,1329 353.437,1330 509.78,1331 332,1332 5.921}
{0 CHEMBL2113069,1 1.524,2 13.148,3 5.669,4 32.134,5 115.851,6 7.329,7 0.429,8 4.074,9 4.207,10 3.616,11 3.602,12 5.056,13 3.541,14 4.633,15 4.842,16 3.95,17 3.955,18 5.55,19 3.864,20 4.89,21 5.135,22 4.117,23 4.109,24 5.788,25 3.976,26 4.927,27 5.185,28 3.851,29 4.095,30 5.72,31 3.922,32 4.978,33 5.275,34 3.744,35 4.067,36 5.708,37 3.874,38 4.919,39 5.22,40 3.721,41 4.018,42 5.627,43 3.838,44 4.79,45 5.051,46 3.771,47 3.957,48 5.639,49 3.8,50 4.804,51 5.093,52 3.714,53 3.893,54 5.61,55 3.722,56 0.033,57 0.76,58 12.522,59 5.268,60 7.966,61 7.4,62 0.181,63 1.174,64 25.005,65 8.471,66 22.424,67 12.127,68 0.465,69 1.382,70 40.363,71 10.911,72 42.519,73 15.501,74 0.369,75 1.401,76 37.36,77 12.49,78 35.786,79 17.48,80 0.429,81 1.456,82 37.898,83 12.794,84 39.205,85 18.444,86 0.299,87 1.371,88 36.435,89 11.771,90 32.382,91 17.114,92 0.288,93 1.26,94 31.96,95 9.937,96 34.865,97 14.525,98 0.386,99 1.183,100 33.675,101 9.899,102 38.849,103 14.353,104 36,105 36,106 0.255,107 0.551,108 0.752,109 0.845,110 0.851,111 0.851,112 3.338,113 1.102,114 -4.88,115 -4.79,116 -4.49,119 37.5,120 3,121 2,125 4,127 1,138 5,140 4,141 1,142 1,163 2,166 7,171 4,172 5,175 1,176 3,181 1,183 6,187 1,190 1,194 8,198 5,201 2,205 6,209 3,217 1,221 6,226 4,227 5,231 2,236 1,238 2,241 1,247 1,249 9,252 1270,253 18.102,254 18.102,255 18.102,256 18.102,257 18.102,258 16.549,259 27.296,260 10.869,261 18.777,262 13.671,263 13.671,264 13.671,265 13.671,266 13.671,267 11.396,268 39.553,269 5.024,270 14.817,271 4.283,272 2.513,273 1.315,274 0.755,275 0.719,276 0.719,277 4.005,279 2,283 1,284 720,285 4.062,288 207.097,295 2.302,296 19.083,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 57.167,308 355,309 4.217,310 3.33,311 5.951,312 3.741,313 2.836,314 3.871,315 1.151,316 8.329,317 2.635,318 4.081,319 2.984,320 5.65,321 3.681,322 2.73,323 3.674,324 0.8,325 7.894,326 2.49,327 3.56,328 2.793,329 5.28,330 3.394,331 2.463,332 2.838,333 0.4,334 6.686,335 2.302,336 3.472,337 2.744,338 5.248,339 3.283,340 2.353,341 2.656,343 6.596,344 2.185,345 3.409,346 2.471,347 5.115,348 3.073,349 2.175,350 2.45,352 6.246,353 1.886,354 3.1,355 2.14,356 4.696,357 2.842,358 1.875,359 2.168,361 5.155,362 1.766,363 2.82,364 2.033,365 4.042,366 2.306,367 1.414,368 1.949,370 3.526,371 1.199,372 2.671,373 1.353,374 3.515,375 2.195,376 1.237,377 1.745,379 2.688,380 1.182,381 2.138,382 1.182,383 3.362,384 2.075,385 1.101,386 1.133,388 2.322,389 1.07,390 1.904,391 1.095,392 3.223,393 1.591,394 0.702,395 0.817,397 1.65,398 0.6,399 1.618,400 0.744,401 2.765,402 1.574,403 0.618,404 0.618,406 0.791,407 0.593,408 1.346,409 0.694,410 2.618,411 1.121,412 0.155,413 0.159,415 0.277,416 0.149,417 1.209,418 0.294,419 2.533,420 0.873,421 0.103,422 0.123,424 0.226,425 0.065,426 0.972,427 0.049,428 2.373,429 0.748,430 -0.205,431 -0.23,433 -0.448,434 -0.194,435 0.813,436 -0.076,437 2.208,438 0.4,439 -0.483,440 -0.581,442 -1.082,443 -0.367,444 13.462,445 0.499,446 0.574,447 0.021,448 29.75,449 1.102,450 13,451 0.481,452 16.75,453 0.62,454 27.256,455 1.009,456 30.938,457 0.552,458 19.439,459 0.72,460 5.574,461 0.206,462 7.438,463 0.275,464 0.218,466 0.253,472 0.776,473 1.524,474 0.667,475 1.115,476 0.737,477 1.072,478 1.082,479 1.263,480 0.713,481 0.925,482 0.698,483 0.941,484 1.157,485 0.919,486 0.839,487 0.829,488 0.866,489 0.898,490 0.765,491 1.076,492 0.822,493 1.077,494 0.715,495 1.078,496 0.461,497 0.922,498 0.579,499 0.884,500 0.51,501 0.913,502 0.673,503 0.904,504 0.62,505 0.774,506 0.656,507 0.799,508 0.852,509 1.148,510 0.805,511 1.003,512 0.816,513 1.022,514 1.067,515 0.845,516 0.735,517 0.744,518 0.904,519 0.815,520 6,521 0.149,522 2.444,523 1.438,524 1.076,525 0.576,526 0.427,527 0.311,528 0.246,529 0.196,530 9396,531 24426,532 1.954,533 51.8,535 14,537 1,538 1,540 13,542 1.695,543 1.82,544 3.684,545 -0.346,550 85.337,551 1.524,552 3.294,553 4.492,554 5.053,555 5.088,556 5.088,557 3.134,558 4.533,559 4.724,560 3.88,561 1361.94,562 8.173,563 19091.1,568 325.212,569 1.427,570 4.677,571 0.214,572 0.007,573 0.068,574 0.04,575 0.036,576 0.021,577 0.015,578 0.011,579 0.01,580 0.008,581 0.43,582 0.33,583 0.88,584 1.961,585 138.567,586 -0.005,587 -0.227,588 0.019,589 -0.087,590 -0.039,591 -0.035,592 -0.069,593 -0.112,594 0.056,595 0.025,596 0.118,597 0.027,598 -0.018,599 0.149,600 0.086,601 0.11,602 0.117,603 0.049,604 0.082,605 -0.087,606 -0.019,607 -0.115,608 0.078,609 -0.096,610 0.197,611 0.028,612 0.097,613 0.03,614 0.145,615 0.049,616 0.02,617 0.044,618 0.111,619 0.139,620 0.055,621 0.159,622 -0.009,623 -0.108,624 -0.01,625 -0.075,626 0.044,627 -0.065,628 -0.052,629 0.119,630 0.085,631 0.159,632 -0.005,633 0.118,634 1.184,635 2.265,636 0.444,637 31.226,638 0.994,639 1.132,640 3.653,641 13.343,642 0.658,643 3.367,644 3.611,645 3.761,646 3.871,647 4.007,648 3.97,649 3.97,650 4.025,651 4.111,652 4.127,653 7.818,654 0.604,655 410.43,656 3.367,657 4.86,658 5.652,659 6.475,660 7.281,661 8.107,662 8.919,663 9.747,664 10.562,665 11.391,666 5.4,669 1,671 1,676 1,681 6,682 1,686 5,688 12,697 1,701 1,702 2,703 56,705 12,706 1,707 28,709 57,710 21,711 11,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 11,730 10,747 29,748 4,749 1,750 6,751 2,755 3,760 1,761 1,770 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 1,812 1,814 1,815 1,824 2,825 1.8,830 1,832 14.833,833 10.686,834 6.278,835 3.752,836 2.184,837 1.322,838 0.926,839 9.525,840 8.964,841 3.555,842 4.043,843 4.472,844 4.902,845 5.364,846 5.318,847 5.394,848 5.684,849 6.047,850 6.338,851 0.889,852 36,853 9.958,854 3.93,855 7.57,856 19.44,857 15.114,859 2.07,860 55.889,864 329.591,865 116.641,866 37.921,867 78.297,868 11,871 116.641,872 418.888,873 37.921,874 26.476,875 15.979,876 47.381,877 46.567,878 40.93,880 317.82,881 78.297,882 329.591,883 154.562,884 11,885 78.297,887 176.567,888 164.024,891 57.383,892 62.383,893 113.094,895 329.591,896 48.92,897 194.938,900 329.591,901 33.737,902 86.029,903 18.011,904 106.083,905 329.591,906 48.92,907 194.938,909 0.563,910 0.32,911 0.151,912 0.075,913 13,914 7,915 0.193,916 11,918 1,919 3.981,920 199.524,922 12,923 124.382,928 22.124,929 11.624,930 7.764,932 48.92,933 11.059,934 4.379,938 3.6,940 18.011,941 573.45,942 34,952 55.651,953 63.405,954 0.262,955 0.567,956 0.774,957 0.87,958 0.876,959 0.876,960 4.754,961 1.237,962 5.602,963 3.526,964 4.29,965 4.727,966 1.595,967 6.293,968 4.133,969 5.904,970 1.101,971 7.096,972 2.688,973 3.761,974 4.388,975 0.325,976 6.952,977 3.44,978 7.164,979 0.702,980 8.679,981 2.322,982 5.784,983 6.774,984 1.613,985 9.926,986 5.484,987 8.454,988 0.618,989 10.311,990 1.65,991 6.019,992 7.203,993 0.268,994 11.319,995 5.54,996 9.772,997 0.155,998 11.973,999 0.791,1000 7.499,1001 9.103,1002 1.779,1003 13.795,1004 7.048,1005 11.108,1006 0.103,1007 13.654,1008 0.277,1009 8.099,1010 9.91,1011 0.188,1012 15.516,1013 7.479,1014 12.46,1015 -0.205,1016 15.348,1017 0.226,1018 9.339,1019 11.584,1020 1.991,1021 17.791,1022 8.729,1023 2.836,1024 -0.483,1025 17.052,1026 -0.448,1027 10.13,1028 12.602,1029 0.125,1030 19.683,1031 9.37,1032 2.73,1033 8.329,1034 18.763,1035 -1.082,1036 11.254,1037 14.146,1038 2.225,1039 21.866,1040 10.483,1041 2.463,1042 7.894,1043 20.482,1044 3.871,1045 12.149,1046 15.289,1047 0.082,1048 23.85,1049 11.246,1050 2.353,1051 6.686,1052 22.205,1053 3.674,1054 13.217,1055 16.756,1056 2.473,1057 25.99,1058 12.284,1059 2.175,1060 6.596,1061 23.933,1062 2.838,1063 14.169,1064 17.974,1065 0.054,1066 28.025,1067 13.121,1068 1.875,1069 6.246,1070 25.666,1071 2.656,1072 15.211,1073 19.393,1074 2.73,1075 30.145,1076 14.117,1077 1.414,1078 5.155,1079 27.402,1080 2.45,1081 16.194,1082 20.657,1083 0.035,1084 32.21,1085 14.999,1086 9530,1087 15840,1088 18.087,1089 36.847,1090 39.53,1091 40.734,1092 41.218,1093 39.724,1094 39.526,1095 48.401,1096 4.702,1097 104.77,1098 36.244,1099 5.153,1100 5.33,1101 5.569,1102 4.809,1103 4.836,1104 6.871,1105 2.302,1106 14.492,1107 4.635,1108 15.81,1109 1.412,1110 1.455,1111 1.472,1112 1.419,1113 1.412,1114 1.729,1115 0.168,1116 3.742,1117 1.294,1118 3.958,1119 3.995,1120 4.113,1121 3.866,1122 5.07,1123 3.864,1124 3.866,1125 3.889,1126 3.86,1127 3.781,1128 4.895,1129 3.783,1130 3.776,1131 3.845,1132 3.642,1133 3.614,1134 4.555,1135 3.61,1136 3.6,1137 3.676,1138 3.453,1139 3.425,1140 4.485,1141 3.418,1142 3.306,1143 3.407,1144 3.404,1145 3.123,1146 4.353,1147 3.089,1148 3.28,1149 3.363,1150 3.339,1151 3.093,1152 4.244,1153 3.086,1154 3.206,1155 3.257,1156 3.048,1157 3.028,1158 3.948,1159 3.015,1160 2.88,1161 2.947,1162 3.04,1163 2.803,1164 3.892,1165 2.776,1166 0.151,1167 0.119,1168 0.213,1169 0.134,1170 0.101,1171 4.217,1172 0.138,1173 3.33,1174 0.041,1175 5.951,1176 0.297,1177 3.741,1178 0.094,1179 2.836,1180 3.871,1181 1.151,1182 8.329,1183 2.635,1184 1.887,1185 1.864,1186 2.031,1187 2.032,1188 1.342,1189 2.032,1190 1.841,1191 1.81,1192 1.957,1193 1.96,1194 1.133,1195 1.969,1196 1.75,1197 1.685,1198 1.906,1199 1.914,1200 1.057,1201 1.923,1202 1.597,1203 1.521,1204 1.854,1205 1.796,1206 1,1207 1.822,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.637,1217 1.522,1218 0.84,1219 1.566,1220 1.174,1221 1.125,1222 1.432,1223 1.399,1224 0.599,1225 1.412,1226 0.869,1227 0.824,1228 1.26,1229 1.136,1230 0.437,1231 1.184,1232 4.043,1233 5.303,1235 6.744,1237 8.264,1239 9.823,1241 6.641,1242 11.943,1247 6.083,1248 3.554,1249 5.765,1251 0.409,1252 2.456,1257 33.809,1258 85.337,1259 184.475,1260 251.563,1261 282.947,1262 284.947,1263 284.947,1264 54.263,1265 6.78,1266 37.39,1267 37.39,1268 12,1269 11.968,1270 3.7,1271 2.807,1272 58.793,1273 126,1274 116,1275 0.222,1276 220.903,1277 381.71,1278 530.764,1279 8092,1280 3.6,1281 19.648,1282 0.728,1283 0.661,1284 20.648,1285 17.855,1286 13.012,1287 0.465,1288 0.367,1289 9.491,1290 12.05,1291 9.099,1292 7.629,1293 13.589,1294 10.287,1295 11.064,1296 0.307,1297 0.206,1298 11.806,1299 7.429,1300 8.781,1301 0.209,1302 0.125,1303 9.696,1304 5.252,1305 6.41,1306 0.136,1307 0.068,1308 6.811,1309 3.176,1310 4.685,1311 0.087,1312 0.034,1313 5.065,1314 1.856,1315 0.363,1316 86.803,1317 0.235,1318 26.816,1319 0.571,1320 128,1321 347.765,1322 168.438,1323 396.031,1324 518.85,1325 370,1326 142,1327 329.729,1328 178.601,1329 353.513,1330 510.02,1331 332,1332 5.398}
{0 CHEMBL2113072,1 1.447,2 13.038,3 5.004,4 25.043,5 111.046,6 6.714,7 0.444,8 4.068,9 4.207,10 3.536,11 3.578,12 5.032,13 3.516,14 4.627,15 4.843,16 3.833,17 3.922,18 5.516,19 3.828,20 4.879,21 5.136,22 3.849,23 4.057,24 5.708,25 3.923,26 4.919,27 5.186,28 3.691,29 4.069,30 5.655,31 3.889,32 4.974,33 5.275,34 3.667,35 4.047,36 5.686,37 3.852,38 4.912,39 5.221,40 3.637,41 3.991,42 5.592,43 3.81,44 4.784,45 5.052,46 3.617,47 3.929,48 5.588,49 3.767,50 4.797,51 5.094,52 3.557,53 3.85,54 5.563,55 3.676,56 0.052,57 0.77,58 13.279,59 5.282,60 8.969,61 7.604,62 0.193,63 1.187,64 24.728,65 8.213,66 23.111,67 12.205,68 0.386,69 1.395,70 33.884,71 10.267,72 35.213,73 15.337,74 0.282,75 1.41,76 33.973,77 11.998,78 28.723,79 17.251,80 0.41,81 1.458,82 35.059,83 12.221,84 36.986,85 18.044,86 0.26,87 1.379,88 32.477,89 11.096,90 28.383,91 16.681,92 0.25,93 1.27,94 30.042,95 9.583,96 30.26,97 14.405,98 0.354,99 1.194,100 30.464,101 9.26,102 35.483,103 14.028,104 27,105 34,106 0.242,107 0.539,108 0.74,109 0.827,110 0.827,111 0.827,112 3.302,113 1.089,114 -4.4,115 -4.33,116 -4.08,119 37.5,120 3,121 2,125 4,127 1,138 6,140 3,141 1,142 1,163 3,166 7,171 4,172 6,175 1,176 4,181 1,183 5,190 1,194 7,198 5,201 2,205 6,209 4,217 2,221 5,226 4,227 4,231 2,236 2,238 3,241 1,249 8,252 1176,253 17.602,254 17.602,255 17.602,256 17.602,257 17.602,258 16.102,259 26.73,260 10.703,261 18.18,262 13.204,263 13.204,264 13.204,265 13.204,266 13.204,267 11.01,268 38.424,269 4.971,270 14.11,271 4.361,272 2.585,273 1.385,274 0.862,275 0.862,276 0.862,277 3.97,279 1,282 1,283 1,284 689,285 4,288 199.252,295 2.272,296 15.378,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 54.833,308 339,309 4.094,310 3.055,311 5.654,312 3.706,313 2.748,314 3.684,315 1.151,316 7.909,317 2.634,318 4.001,319 2.912,320 5.417,321 3.546,322 2.61,323 3.606,324 0.8,325 7.17,326 2.424,327 3.522,328 2.788,329 5.275,330 3.39,331 2.459,332 2.746,333 0.4,334 6.663,335 2.299,336 3.443,337 2.727,338 5.161,339 3.271,340 2.329,341 2.633,343 6.448,344 2.183,345 3.381,346 2.471,347 4.883,348 2.978,349 2.092,350 2.45,352 5.676,353 1.856,354 3.099,355 2.039,356 4.693,357 2.829,358 1.871,359 2.168,361 5.148,362 1.698,363 2.671,364 1.361,365 3.514,366 2.195,367 1.237,368 1.745,370 2.688,371 1.182,372 2.5,373 1.185,374 3.414,375 2.075,376 1.101,377 1.5,379 2.322,380 1.07,381 2.138,382 1.102,383 3.362,384 2,385 1,386 1.133,388 2.275,389 1,390 1.893,391 1,392 3.187,393 1.591,394 0.695,395 0.807,397 1.621,398 0.6,399 1.618,400 0.744,401 2.762,402 1.57,403 0.618,404 0.618,406 0.791,407 0.591,408 1.213,409 0.473,410 2.618,411 1.121,412 0.155,413 0.159,415 0.276,416 0.149,417 1.149,418 0.294,419 2.397,420 0.755,421 -0.127,422 -0.154,424 -0.281,425 -0.092,426 0.96,427 -0.076,428 2.208,429 0.721,430 -0.208,431 -0.232,433 -0.457,434 -0.196,435 0.666,436 -0.244,437 2,438 0.382,439 -0.6,440 -0.612,442 -1.095,443 -0.546,444 12.748,445 0.49,446 0.485,447 0.019,448 29,449 1.115,450 13,451 0.5,452 16,453 0.615,454 24.873,455 0.957,456 29.852,457 0.533,458 18.717,459 0.72,460 5.486,461 0.211,462 7.115,463 0.274,464 0.174,466 0.227,472 0.846,473 1.526,474 0.784,475 1.205,476 0.832,477 1.128,478 1.204,479 1.27,480 0.833,481 1.009,482 0.77,483 1,484 1.319,485 0.924,486 1.017,487 0.9,488 1.01,489 0.947,490 0.91,491 1.072,492 0.931,493 1.095,494 0.851,495 1.096,496 0.467,497 0.919,498 0.637,499 0.916,500 0.53,501 0.926,502 0.659,503 0.901,504 0.595,505 0.772,506 0.622,507 0.791,508 1.011,509 1.141,510 0.979,511 1.056,512 1.029,513 1.063,514 1.137,515 0.852,516 0.776,517 0.78,518 0.97,519 0.843,520 5.5,521 0.115,522 2,523 1.125,524 0.884,525 0.576,526 0.345,527 0.28,528 0.201,529 0.18,530 8599,531 19869,532 1.974,533 53.6,535 15,537 1,538 1,540 13,542 1.685,543 1.857,544 3.672,545 -0.37,550 81.012,551 1.447,552 3.222,553 4.423,554 4.945,555 4.945,556 4.945,557 3.142,558 4.085,559 4.668,560 3.858,561 1253.96,562 8.062,563 17107,565 1,568 325.212,569 1.335,570 4.634,571 0.204,572 0.006,573 0.059,574 0.034,575 0.032,576 0.021,577 0.012,578 0.011,579 0.009,580 0.008,581 0.396,582 0.33,583 0.88,584 1.966,585 131.899,586 0.012,587 -0.228,588 0.03,589 -0.097,590 -0.031,591 -0.037,592 -0.07,593 -0.122,594 0.032,595 -0.019,596 0.138,597 -0.006,598 -0.099,599 0.14,600 -0.055,601 0.047,602 0.016,603 0.007,604 -0.018,605 -0.085,606 -0.072,607 -0.112,608 -0.019,609 -0.105,610 0.23,611 0.025,612 0.1,613 0.015,614 0.177,615 0.037,616 0.037,617 0.043,618 0.149,619 0.145,620 0.096,621 0.163,622 -0.087,623 -0.106,624 -0.085,625 -0.103,626 -0.059,627 -0.095,628 -0.051,629 0.108,630 0.067,631 0.121,632 -0.015,633 0.085,634 1.062,635 2.269,636 0.462,637 30.249,638 0.988,639 1.133,640 3.17,641 10.048,642 0.643,643 3.332,644 3.555,645 3.689,646 3.807,647 3.951,648 3.892,649 3.892,650 3.97,651 4.025,652 4.043,653 7.671,654 0.589,655 375.99,656 3.332,657 4.812,658 5.595,659 6.409,660 7.204,661 8.021,662 8.822,663 9.642,664 10.446,665 11.267,666 5.4,669 1,671 1,676 1,681 7,682 1,686 4,688 12,697 1,701 1,702 1,703 56,705 12,706 1,707 27,709 57,710 21,711 11,712 2,713 4,717 2,718 2,719 1,721 3,727 3,729 11,730 10,747 30,748 4,749 1,750 5,751 1,755 3,760 1,761 1,770 1,776 2,792 1,796 2,801 3,802 1,805 26,810 6,811 1,812 1,814 1,815 1,824 1,825 1.8,830 1,832 14,833 10.626,834 6.083,835 3.765,836 2.155,837 1.323,838 0.925,839 9.062,840 8.835,841 3.526,842 3.989,843 4.401,844 4.832,845 5.304,846 5.201,847 5.302,848 5.631,849 5.959,850 6.244,851 0.889,852 33,853 9.597,854 3.756,855 7.504,856 18.879,857 14.632,859 2.004,860 52.111,863 1,864 341.362,865 122.617,866 37.921,867 39.149,868 11,871 122.617,872 391.51,873 37.921,874 26.476,875 15.979,876 56.857,877 46.567,878 37.429,880 329.591,881 39.149,882 341.362,883 160.537,884 11,885 39.149,887 188.338,888 164.024,891 57.383,892 68.358,893 73.945,895 341.362,896 48.92,897 161.765,900 341.362,901 30.236,902 95.505,903 18.011,904 66.934,905 341.362,906 48.92,907 161.765,909 0.556,910 0.31,911 0.15,912 0.077,913 12,914 6,915 0.193,916 11,918 1,919 3.942,920 187.471,922 12,923 114.211,928 20.852,929 11.299,930 7.769,932 48.92,933 13.254,934 4.389,938 3.487,940 18.011,941 552.048,942 33,952 55.327,953 63.461,954 0.249,955 0.555,956 0.762,957 0.852,958 0.852,959 0.852,960 4.71,961 1.101,962 5.525,963 2.688,964 4.234,965 4.673,966 1.595,967 6.184,968 4.107,969 5.842,970 1,971 6.993,972 2.322,973 3.611,974 4.205,975 0.325,976 6.763,977 3.359,978 7.084,979 0.695,980 8.546,981 2.275,982 5.694,983 6.676,984 1.613,985 9.716,986 5.448,987 8.354,988 0.618,989 10.146,990 1.621,991 5.832,992 6.962,993 0.268,994 11.032,995 5.465,996 9.651,997 0.155,998 11.773,999 0.791,1000 7.358,1001 8.944,1002 1.779,1003 13.466,1004 7.002,1005 10.965,1006 -0.127,1007 13.418,1008 0.276,1009 7.865,1010 9.605,1011 0.188,1012 15.114,1013 7.401,1014 12.294,1015 -0.208,1016 15.075,1017 -0.281,1018 9.131,1019 11.347,1020 1.991,1021 17.336,1022 8.669,1023 2.748,1024 -0.6,1025 16.739,1026 -0.457,1027 9.84,1028 12.228,1029 0.125,1030 19.158,1031 9.286,1032 2.61,1033 7.909,1034 18.41,1035 -1.095,1036 10.972,1037 13.824,1038 2.225,1039 21.281,1040 10.41,1041 2.459,1042 7.17,1043 20.085,1044 3.684,1045 11.797,1046 14.844,1047 0.082,1048 23.2,1049 11.155,1050 2.329,1051 6.663,1052 21.765,1053 3.606,1054 12.858,1055 16.343,1056 2.473,1057 25.279,1058 12.199,1059 2.092,1060 6.448,1061 23.447,1062 2.746,1063 13.75,1064 17.455,1065 0.054,1066 27.253,1067 13.024,1068 1.871,1069 5.676,1070 25.133,1071 2.633,1072 14.774,1073 18.889,1074 2.73,1075 29.312,1076 14.023,1077 1.237,1078 5.148,1079 26.821,1080 2.45,1081 15.706,1082 20.062,1083 0.035,1084 31.319,1085 14.897,1086 8694,1087 13539,1088 17.682,1089 35.989,1090 37.831,1091 38.562,1092 39.434,1093 38.055,1094 37.829,1095 46.495,1096 4.702,1097 97.975,1098 35.371,1099 5.029,1100 5.055,1101 5.272,1102 4.77,1103 4.748,1104 6.684,1105 2.302,1106 13.607,1107 4.634,1108 13.852,1109 1.401,1110 1.428,1111 1.461,1112 1.409,1113 1.401,1114 1.722,1115 0.174,1116 3.629,1117 1.31,1118 3.956,1119 3.995,1120 3.996,1121 3.853,1122 4.994,1123 3.855,1124 3.861,1125 3.89,1126 3.854,1127 3.775,1128 4.88,1129 3.776,1130 3.776,1131 3.845,1132 3.642,1133 3.614,1134 4.554,1135 3.61,1136 3.6,1137 3.676,1138 3.453,1139 3.425,1140 4.354,1141 3.418,1142 3.306,1143 3.407,1144 3.365,1145 3.123,1146 4.246,1147 3.089,1148 3.28,1149 3.363,1150 3.055,1151 3.092,1152 4.004,1153 3.084,1154 3.205,1155 3.257,1156 3.04,1157 3.025,1158 3.892,1159 3.013,1160 2.854,1161 2.947,1162 2.958,1163 2.755,1164 3.848,1165 2.737,1166 0.152,1167 0.113,1168 0.209,1169 0.137,1170 0.102,1171 4.094,1172 0.136,1173 3.055,1174 0.043,1175 5.654,1176 0.293,1177 3.706,1178 0.098,1179 2.748,1180 3.684,1181 1.151,1182 7.909,1183 2.634,1184 1.889,1185 1.863,1186 2.031,1187 2.033,1188 1.342,1189 2.033,1190 1.845,1191 1.81,1192 1.97,1193 1.965,1194 1.133,1195 1.975,1196 1.751,1197 1.685,1198 1.932,1199 1.925,1200 1.058,1201 1.934,1202 1.597,1203 1.521,1204 1.858,1205 1.797,1206 1.002,1207 1.823,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.637,1217 1.523,1218 0.84,1219 1.566,1220 1.175,1221 1.125,1222 1.435,1223 1.402,1224 0.6,1225 1.415,1226 0.886,1227 0.821,1228 1.26,1229 1.136,1230 0.437,1231 1.184,1232 4.007,1233 5.252,1235 6.676,1237 8.175,1239 9.711,1241 6.665,1242 5.889,1247 6.2,1248 3.566,1249 5.769,1251 0.429,1252 2.464,1257 32.982,1258 81.012,1259 180.433,1260 247.663,1261 276.947,1262 276.947,1263 276.947,1264 46.691,1265 6.68,1266 37.39,1267 37.39,1268 12,1269 11.851,1270 3.7,1271 2.807,1272 55.346,1273 118,1274 112,1275 0.222,1276 212.57,1277 366.5,1278 510.432,1279 7149,1280 1.8,1281 18.778,1282 0.722,1283 0.646,1284 19.278,1285 16.798,1286 12.601,1287 0.467,1288 0.363,1289 9.356,1290 11.898,1291 8.998,1292 7.567,1293 12.89,1294 9.803,1295 10.556,1296 0.31,1297 0.204,1298 10.964,1299 6.929,1300 8.21,1301 0.211,1302 0.12,1303 8.498,1304 4.688,1305 6.107,1306 0.139,1307 0.068,1308 6.273,1309 2.979,1310 4.55,1311 0.089,1312 0.034,1313 4.785,1314 1.753,1315 0.363,1316 81.164,1317 0.238,1318 26.04,1319 0.568,1320 122,1321 313.562,1322 146.918,1323 333.904,1324 446.8,1325 314,1326 134,1327 301.867,1328 153.13,1329 315.734,1330 452.05,1331 297,1332 4.699}
{0 CHEMBL2113075,1 1.447,2 13.038,3 4.545,4 20.661,5 106.458,6 6.42,7 0.444,8 4.071,9 4.213,10 3.495,11 3.552,12 5.074,13 3.503,14 4.631,15 4.849,16 3.772,17 3.885,18 5.577,19 3.809,20 4.885,21 5.147,22 3.784,23 4.012,24 5.783,25 3.9,26 4.923,27 5.194,28 3.651,29 4.041,30 5.703,31 3.875,32 4.976,33 5.278,34 3.619,35 4.04,36 5.731,37 3.846,38 4.913,39 5.223,40 3.6,41 3.974,42 5.613,43 3.801,44 4.788,45 5.061,46 3.573,47 3.897,48 5.64,49 3.751,50 4.8,51 5.1,52 3.468,53 3.818,54 5.635,55 3.656,56 0.042,57 0.843,58 13.336,59 5.283,60 8.465,61 7.558,62 0.188,63 1.283,64 23.991,65 7.927,66 26.005,67 11.937,68 0.411,69 1.514,70 31.429,71 9.71,72 44.174,73 14.721,74 0.303,75 1.473,76 31.881,77 11.47,78 35.41,79 16.724,80 0.477,81 1.425,82 33.427,83 11.763,84 47.197,85 17.83,86 0.27,87 1.377,88 31.25,89 10.565,90 32.055,91 16.352,92 0.271,93 1.334,94 28.054,95 9.06,96 36.576,97 13.914,98 0.398,99 1.251,100 28.572,101 8.787,102 45.491,103 13.679,104 27,105 34,106 0.242,107 0.539,108 0.74,109 0.827,110 0.827,111 0.827,112 3.302,113 1.047,114 -4.29,115 -4.23,116 -3.99,119 37.5,120 3,121 2,125 4,127 1,138 6,140 3,141 1,142 1,163 3,166 7,171 4,172 4,175 1,176 4,181 1,183 3,190 1,194 7,198 4,201 2,205 6,209 4,217 2,221 5,226 4,227 4,231 1,236 2,238 2,241 1,249 8,252 1176,253 17.602,254 17.602,255 17.602,256 17.602,257 17.602,258 16.102,259 26.756,260 10.703,261 18.106,262 13.204,263 13.204,264 13.204,265 13.204,266 13.204,267 11.01,268 38.445,269 4.971,270 13.959,271 4.361,272 2.585,273 1.385,274 0.862,275 0.862,276 0.862,277 3.97,282 1,283 1,284 689,285 4,288 199.252,295 2.272,296 21.05,298 1,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 56,308 339,309 4.094,310 3.051,311 5.654,312 3.707,313 2.748,314 3.684,315 1.151,316 7.909,317 2.634,318 4.001,319 2.901,320 5.417,321 3.56,322 2.61,323 3.606,324 0.8,325 7.17,326 2.469,327 3.522,328 2.787,329 5.275,330 3.39,331 2.459,332 2.746,333 0.4,334 6.663,335 2.302,336 3.443,337 2.72,338 5.161,339 3.273,340 2.329,341 2.633,343 6.448,344 2.185,345 3.381,346 2.468,347 4.883,348 3.012,349 2.092,350 2.45,352 5.676,353 1.912,354 3.099,355 2.039,356 4.693,357 2.837,358 1.871,359 2.168,361 5.148,362 1.794,363 2.671,364 1.36,365 3.514,366 2.195,367 1.237,368 1.745,370 2.688,371 1.183,372 2.5,373 1.184,374 3.414,375 2.075,376 1.101,377 1.5,379 2.322,380 1.07,381 2.138,382 1.1,383 3.362,384 2,385 1,386 1.133,388 2.275,389 1,390 1.893,391 1,392 3.187,393 1.591,394 0.695,395 0.807,397 1.621,398 0.606,399 1.618,400 0.744,401 2.762,402 1.579,403 0.618,404 0.618,406 0.791,407 0.6,408 1.213,409 0.461,410 2.618,411 1.121,412 0.155,413 0.159,415 0.276,416 0.149,417 1.149,418 0.294,419 2.397,420 0.78,421 -0.127,422 -0.154,424 -0.281,425 -0.111,426 0.96,427 -0.076,428 2.208,429 0.744,430 -0.208,431 -0.232,433 -0.457,434 -0.197,435 0.666,436 -0.248,437 2,438 0.383,439 -0.6,440 -0.612,442 -1.095,443 -0.582,444 12.319,445 0.474,446 0.485,447 0.019,448 29,449 1.115,450 13,451 0.5,452 16,453 0.615,454 24.1,455 0.927,456 30.281,457 0.541,458 19.49,459 0.75,460 5.617,461 0.216,462 6.984,463 0.269,464 0.145,466 0.235,470 1,472 0.738,473 1.37,474 0.933,475 1.311,476 0.615,477 1.178,478 1.011,479 1.19,480 0.983,481 1.109,482 0.601,483 1.046,484 1.193,485 0.934,486 1.077,487 0.921,488 0.909,489 0.956,490 0.831,491 0.967,492 1.03,493 1.112,494 0.717,495 1.109,496 0.337,497 0.749,498 0.823,499 0.944,500 0.277,501 0.957,502 0.524,503 0.777,504 0.751,505 0.831,506 0.369,507 0.824,508 0.931,509 1.042,510 1.061,511 1.065,512 0.848,513 1.07,514 0.908,515 0.761,516 0.939,517 0.828,518 0.602,519 0.875,520 5.5,521 0.115,522 2,523 1.125,524 0.884,525 0.576,526 0.345,527 0.28,528 0.201,529 0.18,530 8599,531 19869,532 1.974,533 53.6,535 15,537 1,538 1,540 13,542 1.685,543 1.857,544 3.672,545 -0.37,550 81.012,551 1.447,552 3.222,553 4.423,554 4.945,555 4.945,556 4.945,557 3.142,558 4.085,559 4.668,560 3.858,561 1253.96,562 8.062,563 17107,565 1,568 325.212,569 1.335,570 4.634,571 0.204,572 0.006,573 0.059,574 0.034,575 0.032,576 0.021,577 0.012,578 0.011,579 0.009,580 0.008,581 0.396,582 0.33,583 0.88,584 1.966,585 131.899,586 0.001,587 -0.191,588 0.044,589 -0.108,590 -0.023,591 -0.039,592 -0.055,593 -0.154,594 0.016,595 -0.073,596 0.083,597 -0.025,598 -0.091,599 0.08,600 -0.063,601 0.037,602 0.001,603 0.006,604 -0.024,605 -0.058,606 -0.079,607 -0.104,608 -0.023,609 -0.102,610 0.222,611 0.031,612 0.091,613 0.019,614 0.136,615 0.031,616 0.037,618 0.167,619 0.113,620 0.056,621 0.152,622 -0.079,623 -0.082,624 -0.089,625 -0.093,626 -0.051,627 -0.09,628 -0.004,629 0.076,630 0.032,631 0.084,632 0.057,633 0.066,634 1.934,635 4.919,636 0.462,637 30.249,638 0.991,639 1.14,640 3.061,641 9.37,642 0.626,643 3.332,644 3.555,645 3.689,646 3.807,647 3.951,648 3.892,649 3.892,650 3.97,651 4.025,652 4.043,653 7.671,654 0.581,655 359.54,656 3.332,657 4.812,658 5.595,659 6.409,660 7.204,661 8.021,662 8.822,663 9.642,664 10.446,665 11.267,666 5.4,669 1,671 1,676 1,681 7,682 1,686 4,688 12,697 1,701 1,702 1,703 56,705 12,706 1,707 27,709 57,710 21,711 11,712 2,713 4,717 2,718 2,721 3,727 3,729 11,730 10,744 1,745 1,747 30,748 5,749 1,750 5,755 3,760 1,761 1,770 1,776 2,792 1,796 2,801 3,803 1,805 26,810 6,811 1,812 1,814 1,815 1,824 1,825 1.8,830 1,832 14,833 10.626,834 6.083,835 3.765,836 2.155,837 1.323,838 0.924,839 8.694,840 8.835,841 3.526,842 3.989,843 4.401,844 4.832,845 5.304,846 5.201,847 5.302,848 5.631,849 5.959,850 6.244,851 0.889,852 33,853 9.627,854 3.812,855 7.654,856 18.739,857 14.523,859 2.154,860 56,862 1,863 1,864 341.362,865 128.237,866 37.921,868 11,869 14.96,871 128.237,872 352.362,873 52.881,874 26.476,875 15.979,876 56.857,877 46.567,878 43.05,879 14.96,880 329.591,882 341.362,883 166.158,884 25.96,887 203.298,888 164.024,891 57.383,892 73.979,893 34.796,895 356.322,896 48.92,897 128.237,900 341.362,901 35.857,902 95.505,903 18.011,904 42.746,905 341.362,906 63.881,907 128.237,909 0.556,910 0.31,911 0.15,912 0.077,913 12,914 6,915 0.193,916 11,918 1,919 3.942,920 187.471,922 12,923 111.457,928 20.506,929 11.024,930 7.547,932 63.881,933 11.785,934 4.341,938 2.26,940 18.011,941 533.48,942 33,952 55.516,953 63.857,954 0.249,955 0.555,956 0.762,957 0.852,958 0.852,959 0.852,960 4.71,961 1.101,962 5.525,963 2.688,964 4.234,965 4.673,966 1.595,967 6.184,968 4.127,969 5.842,970 1,971 6.993,972 2.322,973 3.611,974 4.205,975 0.325,976 6.763,977 3.42,978 7.084,979 0.695,980 8.546,981 2.275,982 5.694,983 6.676,984 1.613,985 9.716,986 5.48,987 8.354,988 0.618,989 10.146,990 1.621,991 5.832,992 6.962,993 0.268,994 11.032,995 5.529,996 9.651,997 0.155,998 11.773,999 0.791,1000 7.358,1001 8.944,1002 1.779,1003 13.466,1004 7.042,1005 10.965,1006 -0.127,1007 13.418,1008 0.276,1009 7.865,1010 9.605,1011 0.188,1012 15.114,1013 7.465,1014 12.294,1015 -0.208,1016 15.075,1017 -0.281,1018 9.131,1019 11.347,1020 1.991,1021 17.336,1022 8.718,1023 2.748,1024 -0.6,1025 16.739,1026 -0.457,1027 9.84,1028 12.228,1029 0.125,1030 19.158,1031 9.35,1032 2.61,1033 7.909,1034 18.41,1035 -1.095,1036 10.972,1037 13.824,1038 2.225,1039 21.281,1040 10.465,1041 2.459,1042 7.17,1043 20.085,1044 3.684,1045 11.797,1046 14.844,1047 0.082,1048 23.2,1049 11.221,1050 2.329,1051 6.663,1052 21.765,1053 3.606,1054 12.858,1055 16.343,1056 2.473,1057 25.279,1058 12.26,1059 2.092,1060 6.448,1061 23.447,1062 2.746,1063 13.75,1064 17.455,1065 0.054,1066 27.253,1067 13.092,1068 1.871,1069 5.676,1070 25.133,1071 2.633,1072 14.774,1073 18.889,1074 2.73,1075 29.312,1076 14.088,1077 1.237,1078 5.148,1079 26.821,1080 2.45,1081 15.706,1082 20.062,1083 0.035,1084 31.319,1085 14.966,1086 8694,1087 13539,1088 17.682,1089 35.069,1090 37.831,1091 38.527,1092 39.434,1093 37.927,1094 37.829,1095 46.495,1096 4.702,1097 97.975,1098 35.809,1099 5.029,1100 5.051,1101 5.272,1102 4.769,1103 4.748,1104 6.684,1105 2.302,1106 13.607,1107 4.634,1108 13.852,1109 1.401,1110 1.427,1111 1.461,1112 1.405,1113 1.401,1114 1.722,1115 0.174,1116 3.629,1117 1.326,1118 3.957,1119 3.997,1120 3.898,1121 3.842,1122 8.201,1123 3.85,1124 3.865,1125 3.899,1126 3.808,1127 3.767,1128 4.928,1129 3.772,1130 3.776,1131 3.846,1132 3.642,1133 3.614,1134 4.746,1135 3.61,1136 3.6,1137 3.676,1138 3.444,1139 3.425,1140 4.359,1141 3.418,1142 3.306,1143 3.407,1144 3.144,1145 3.123,1146 4.258,1147 3.089,1148 3.281,1149 3.364,1150 3.04,1151 3.089,1152 4.165,1153 3.081,1154 3.207,1155 3.262,1156 3.013,1157 3.018,1158 3.892,1159 3.01,1160 2.854,1161 2.947,1162 2.784,1163 2.735,1164 3.85,1165 2.715,1166 0.152,1167 0.113,1168 0.209,1169 0.137,1170 0.102,1171 4.094,1172 0.136,1173 3.051,1174 0.043,1175 5.654,1176 0.293,1177 3.707,1178 0.098,1179 2.748,1180 3.684,1181 1.151,1182 7.909,1183 2.634,1184 1.888,1185 1.859,1186 2.032,1187 2.034,1188 1.342,1189 2.033,1190 1.843,1191 1.807,1192 1.977,1193 1.974,1194 1.133,1195 1.979,1196 1.751,1197 1.685,1198 1.936,1199 1.933,1200 1.052,1201 1.938,1202 1.597,1203 1.521,1204 1.858,1205 1.798,1206 0.996,1207 1.823,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.29,1215 1.204,1216 1.637,1217 1.524,1218 0.84,1219 1.566,1220 1.174,1221 1.122,1222 1.437,1223 1.411,1224 0.599,1225 1.418,1226 0.886,1227 0.821,1228 1.26,1229 1.136,1230 0.437,1231 1.184,1232 4.007,1233 5.252,1235 6.676,1237 8.175,1239 9.711,1241 6.618,1243 12.919,1247 6.033,1248 3.534,1249 5.661,1251 0.402,1252 2.448,1257 32.538,1258 81.012,1259 180.433,1260 247.663,1261 276.947,1262 276.947,1263 276.947,1264 53.483,1265 6.68,1266 37.39,1267 37.39,1268 12,1269 11.851,1270 3.7,1271 2.807,1272 55.346,1273 118,1274 112,1275 0.222,1276 205.436,1277 357.36,1278 493.023,1279 7149,1280 1.8,1281 18.778,1282 0.722,1283 0.617,1284 17.908,1285 16.042,1286 12.601,1287 0.467,1288 0.349,1289 9.3,1290 12.089,1291 8.998,1292 7.567,1293 12.207,1294 9.425,1295 10.556,1296 0.31,1297 0.191,1298 9.934,1299 6.493,1300 8.21,1301 0.211,1302 0.114,1303 7.799,1304 4.436,1305 6.107,1306 0.139,1307 0.065,1308 5.965,1309 2.853,1310 4.55,1311 0.089,1312 0.032,1313 4.265,1314 1.629,1315 0.363,1316 78.854,1317 0.238,1318 26.04,1319 0.568,1320 122,1321 373.47,1322 135.23,1323 333.904,1324 446.8,1325 314,1326 134,1327 318.337,1328 146.282,1329 315.734,1330 452.05,1331 297,1332 4.745}
{0 CHEMBL211775,1 1.815,2 12.091,3 4.856,4 23.577,5 117.607,6 8.51,7 0.314,8 4.162,9 4.28,10 3.839,11 3.67,12 5.295,13 3.657,14 4.785,15 4.959,16 4.302,17 4.061,18 6.547,19 4.034,20 5,21 5.224,22 4.191,23 4.167,24 6.191,25 4.102,26 5.132,27 5.385,28 4.224,29 4.145,30 6.336,31 4.094,32 5.04,33 5.271,34 4.328,35 4.075,36 6.3,37 4.06,38 5.134,39 5.375,40 4.362,41 4.039,42 7.019,43 4.003,44 4.866,45 5.105,46 4.053,47 4.04,48 5.963,49 3.96,50 4.879,51 5.062,52 4.275,53 4.113,54 6.515,55 4.051,56 0.27,57 1.294,58 10.158,59 6.09,60 55.134,61 6.588,62 1.604,63 2.588,64 26.623,65 10.166,66 274.667,67 11.543,68 0.944,69 2.127,70 32.903,71 12.594,72 111.368,73 15.987,74 1.517,75 2.253,76 44.325,77 13.361,78 236.279,79 16.359,80 1.132,81 2.308,82 38.371,83 11.98,84 174.344,85 14.643,86 3.368,87 3.094,88 50.047,89 12.795,90 548.268,91 14.053,92 0.965,93 1.704,94 35.78,95 11.452,96 147.244,97 14.125,98 1.442,99 1.823,100 29.124,101 11.48,102 285.38,103 13.478,104 54,105 50,106 0.3,107 0.582,108 0.74,109 0.813,110 0.821,111 0.821,112 3.532,113 0.987,114 -5.17,115 -5.06,116 -4.74,119 37.9,121 3,125 5,127 1,131 2,138 4,139 4,147 2,151 1,163 9,166 2,169 1,171 2,172 9,176 2,179 2,180 1,181 4,183 3,187 2,192 4,198 4,203 5,205 1,208 1,209 3,212 1,214 3,217 3,221 2,226 2,227 7,231 3,236 3,238 8,242 3,247 1,249 6,252 2036,253 21.22,254 21.22,255 21.22,256 21.22,257 21.22,258 19.873,259 29.241,260 12.484,261 22.14,262 17.303,263 17.303,264 17.303,265 17.303,266 17.303,267 15.122,268 38.234,269 5.966,270 18.887,271 4.043,272 2.332,273 1.375,274 0.936,275 0.888,276 0.888,277 4.205,283 1,284 829,285 5.05,287 110.77,288 267.794,295 2.033,296 74.483,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 77.5,308 399,309 4.565,310 4.482,311 7.183,312 4.277,313 3.398,314 4.052,315 3.825,316 11.963,317 3.036,318 4.292,319 4.439,320 7.052,321 4.059,322 3.23,323 3.645,324 3.825,325 11.446,326 2.924,327 4.209,328 3.813,329 6.446,330 3.966,331 2.983,332 3.425,333 2.081,334 9.925,335 2.676,336 3.736,337 2.861,338 5.432,339 3.446,340 2.518,341 3.004,342 0.8,343 7.253,344 2.336,345 3.564,346 2.818,347 5.34,348 3.408,349 2.458,350 2.843,351 0.792,352 6.965,353 2.303,354 3.516,355 2.737,356 5.086,357 3.11,358 2.151,359 2.519,360 0.514,361 5.897,362 2.051,363 2.951,364 2.046,365 4.634,366 2.611,367 1.681,368 2.061,369 0.066,370 4.854,371 1.57,372 2.766,373 1.931,374 4.377,375 2.543,376 1.586,377 1.793,379 3.92,380 1.459,381 2.65,382 1.634,383 4.05,384 2.33,385 1.394,386 1.698,388 3.613,389 1.289,390 2.558,391 1.581,392 3.659,393 2.211,394 1.285,395 1.561,397 3.129,398 1.157,399 2.274,400 1.282,401 3.365,402 1.985,403 1.092,404 1.247,406 2.388,407 0.983,408 2.118,409 1.112,410 3.247,411 1.984,412 1,413 1,415 2.136,416 0.956,417 2,418 1.077,419 3.178,420 1.578,421 0.64,422 0.927,424 1.54,425 0.592,426 1.813,427 0.748,428 3,429 1.497,430 0.618,431 0.728,433 1.372,434 0.529,435 1.6,436 0.618,437 2.88,438 1.295,439 0.315,440 0.369,442 0.747,443 0.304,444 15.081,445 0.457,446 1.135,447 0.034,448 32.5,449 0.985,450 11.5,451 0.348,452 21,453 0.636,454 35.176,455 1.066,456 39.519,457 0.681,458 31.472,459 0.954,460 6.482,461 0.196,462 9.055,463 0.274,464 0.136,465 0.066,466 0.225,469 6,472 0.567,473 1.005,474 0.667,475 1.061,476 0.569,477 1.006,478 0.416,479 0.708,480 0.821,481 0.992,482 0.324,483 1.024,484 0.528,485 0.836,486 0.725,487 1.029,488 0.461,489 1.102,490 0.913,491 0.917,492 0.846,493 0.885,494 0.875,495 0.924,496 0.792,497 1.052,498 0.734,499 1.065,500 0.779,501 0.96,502 0.927,503 0.595,504 1.081,505 0.735,506 0.973,507 0.881,508 0.638,509 0.734,510 0.928,511 0.994,512 0.608,513 0.915,514 0.479,515 0.742,516 0.772,517 0.929,518 0.485,519 1.038,520 9,521 0.275,522 4,523 2.153,524 1.84,525 1.573,526 0.621,527 0.547,528 0.368,529 0.449,530 14846,531 54969,532 1.962,533 43.1,534 2,535 15,536 2,538 2,540 4,542 1.756,543 1.8,544 3.496,545 0.282,550 105.294,551 1.815,552 3.526,553 4.483,554 4.922,555 4.97,556 4.97,557 2.923,558 4.067,559 5.018,560 3.776,561 1993.69,562 8.806,563 30760.2,568 339.763,569 1.687,570 4.94,571 0.257,572 0.007,573 0.08,574 0.046,575 0.04,576 0.032,577 0.014,578 0.013,579 0.008,580 0.011,581 0.508,582 0.17,583 0.88,584 0.872,585 176.11,586 -0.037,587 -0.058,588 0.03,589 0.023,590 -0.059,591 0.023,592 0.388,593 0.292,594 0.04,595 0.029,596 0.447,597 -0.048,598 0.04,599 -0.131,600 0.043,601 -0.139,602 0.079,603 -0.083,604 -0.094,605 -0.118,606 0.053,607 -0.003,608 -0.067,609 0.066,610 -0.032,611 -0.292,612 0.174,613 -0.158,614 -0.025,615 0.023,616 0.368,617 0.525,618 -0.006,619 0.199,620 0.334,621 0.026,622 -0.019,623 -0.012,624 0.051,625 0.029,626 -0.008,627 0.137,628 0.232,629 0.028,630 0.084,631 0.055,632 0.269,633 -0.035,634 6.185,635 5.834,636 0.515,637 34.415,638 1.037,639 1.163,640 3.942,641 15.536,642 0.645,643 3.584,644 3.932,645 4.078,646 4.248,647 4.431,648 4.443,649 4.489,650 4.466,651 4.443,652 4.595,653 7.572,654 0.632,655 493.57,656 3.584,657 5.142,658 5.958,659 6.836,660 7.677,661 8.553,662 9.405,663 10.28,664 11.137,665 12.013,666 5.2,668 1,669 1,673 1,681 6,685 1,686 4,688 11,703 58,705 12,706 1,707 35,709 60,710 22,711 10,712 3,713 3,717 3,718 3,721 2,724 3,726 2,727 4,729 11,730 11,733 1,737 1,741 1,745 6,747 25,748 10,749 2,750 11,751 1,755 3,760 1,761 1,775 1,776 2,783 1,791 1,792 1,796 3,799 1,803 6,805 33,810 8,811 2,814 1,815 1,816 2,820 1,824 6,825 1.7,828 1,832 18.333,833 9.974,834 7.056,835 3.507,836 1.51,837 1.211,838 0.964,839 8.688,840 8.671,841 3.75,842 4.259,843 4.674,844 5.13,845 5.476,846 5.622,847 5.839,848 5.69,849 5.744,850 6.071,851 0.875,852 47,853 13.999,854 7.55,855 8.53,856 22.512,857 18.612,859 3.03,860 100,864 270.735,865 135.579,866 39.146,868 25.145,869 89.761,870 31.278,871 104.301,872 295.88,873 128.906,875 36.143,876 71.214,877 29.85,878 105.627,879 23.542,880 278.471,881 15.519,882 270.735,883 143.447,884 114.906,885 31.278,887 223.651,888 161.99,891 72.797,892 70.65,894 31.278,895 360.496,896 64.291,897 135.579,900 286.254,901 66.857,902 56.327,903 36.022,904 114.906,905 270.735,906 154.051,907 135.579,909 0.593,910 0.318,911 0.154,912 0.086,913 22,914 11,915 0.133,916 8,918 1,919 4.283,920 290.512,922 17,923 140.955,924 1,928 25.837,929 11.097,930 7.615,932 154.051,933 6.656,937 1.39,938 -2.398,940 36.022,941 560.366,942 41.5,946 12.834,950 -0.516,952 60.156,953 67.475,954 0.31,955 0.602,956 0.765,957 0.84,958 0.848,959 0.848,960 5.029,961 1.586,962 6.009,963 4.854,964 4.615,965 4.945,966 3.923,967 6.855,968 4.456,969 6.235,970 1.394,971 7.608,972 3.92,973 4.511,974 4.844,975 4.64,976 8.148,977 4.143,978 7.554,979 1.285,980 9.33,981 3.613,982 6.33,983 7.004,984 6.167,985 11.099,986 5.992,987 8.908,988 1.092,989 11.126,990 3.129,991 7.004,992 7.667,993 7.401,994 13.155,995 6.448,996 10.296,997 1,998 12.968,999 2.388,1000 8.39,1001 9.375,1002 8.766,1003 15.747,1004 7.827,1005 11.705,1006 0.64,1007 14.842,1008 2.136,1009 9.37,1010 10.377,1011 10.088,1012 18.058,1013 8.619,1014 13.132,1015 0.618,1016 16.737,1017 1.54,1018 10.617,1019 11.904,1020 11.432,1021 20.552,1022 9.816,1023 3.398,1024 0.315,1025 18.647,1026 1.372,1027 11.721,1028 13.075,1029 12.769,1030 22.953,1031 10.762,1032 3.23,1033 11.963,1034 20.568,1035 0.747,1036 12.925,1037 14.521,1038 14.111,1039 25.419,1040 11.886,1041 2.983,1042 11.446,1043 22.497,1044 4.052,1045 14.08,1046 15.783,1047 15.452,1048 27.855,1049 12.906,1050 2.518,1051 9.925,1052 24.432,1053 3.645,1054 15.274,1055 17.193,1056 16.793,1057 30.315,1058 14.003,1059 2.458,1060 7.253,1061 26.373,1062 3.425,1063 16.451,1064 18.505,1065 18.135,1066 32.765,1067 15.058,1068 2.151,1069 6.965,1070 28.317,1071 3.004,1072 17.645,1073 19.899,1074 19.476,1075 35.225,1076 16.147,1077 1.681,1078 5.897,1079 30.264,1080 2.843,1081 18.834,1082 21.24,1083 20.818,1084 37.682,1085 17.219,1086 14611,1087 28717,1088 22.246,1089 37.404,1090 53.655,1091 51.266,1092 52.153,1093 53.083,1094 52.696,1095 61.744,1096 23.808,1097 154.297,1098 48.328,1099 5.565,1100 6.482,1101 6.985,1102 5.35,1103 5.398,1104 7.052,1105 5.363,1106 19.27,1107 5.036,1108 20.191,1109 1.533,1110 1.465,1111 1.49,1112 1.517,1113 1.506,1114 1.764,1115 0.68,1116 4.408,1117 1.381,1118 4.004,1119 4.034,1120 4.211,1121 3.941,1122 8.518,1123 3.922,1124 3.911,1125 3.949,1126 3.958,1127 3.89,1128 8.509,1129 3.844,1130 3.838,1131 3.886,1132 3.729,1133 3.695,1134 7.999,1135 3.687,1136 3.56,1137 3.609,1138 3.575,1139 3.389,1140 7.999,1141 3.385,1142 3.444,1143 3.52,1144 3.475,1145 3.229,1146 7.999,1147 3.237,1148 3.431,1149 3.47,1150 3.324,1151 3.113,1152 7.999,1153 3.179,1154 3.224,1155 3.269,1156 3.184,1157 3.024,1158 7.428,1159 3.03,1160 3.111,1161 3.206,1162 2.895,1163 2.941,1164 4.679,1165 2.91,1166 0.13,1167 0.128,1168 0.205,1169 0.122,1170 0.097,1171 4.565,1172 0.116,1173 4.482,1174 0.109,1175 7.183,1176 0.342,1177 4.277,1178 0.087,1179 3.398,1180 4.052,1181 3.825,1182 11.963,1183 3.036,1184 1.941,1185 1.92,1186 2.061,1187 2.046,1188 1.414,1189 2.047,1190 1.836,1191 1.77,1192 2.024,1193 2.027,1194 1.205,1195 2.032,1196 1.704,1197 1.666,1198 1.853,1199 1.883,1200 1.113,1201 1.874,1202 1.424,1203 1.355,1204 1.675,1205 1.65,1206 0.932,1207 1.656,1208 1.354,1209 1.325,1210 1.538,1211 1.549,1212 0.825,1213 1.554,1214 1.296,1215 1.272,1216 1.513,1217 1.532,1218 0.709,1219 1.429,1220 1.179,1221 1.151,1222 1.347,1223 1.376,1224 0.57,1225 1.421,1226 1.153,1227 1.064,1228 1.265,1229 1.355,1230 0.544,1231 1.414,1232 4.263,1233 5.602,1234 2.398,1235 7.109,1236 4.443,1237 8.691,1238 6.293,1239 10.316,1243 78.446,1247 6.265,1248 5.658,1251 -0.756,1252 2.292,1253 -9.871,1257 36.641,1258 105.294,1259 204.502,1260 259.988,1261 285.498,1262 288.253,1263 288.253,1264 120.919,1265 7.162,1266 44.37,1267 72.61,1268 17,1269 12.556,1270 3.7,1271 2.907,1272 64.043,1273 150,1274 156,1275 0.203,1276 224.757,1277 411.16,1278 540.166,1279 11656,1280 10.3,1281 24.062,1282 0.729,1283 0.562,1284 19.416,1285 18.546,1286 15.537,1287 0.444,1288 0.329,1289 10.421,1290 14.138,1291 10.247,1292 8.366,1293 13.614,1294 11.52,1295 15.397,1296 0.308,1297 0.175,1298 11.979,1299 8.758,1300 10.895,1301 0.188,1302 0.107,1303 9.432,1304 6.18,1305 8.288,1306 0.12,1307 0.064,1308 8.136,1309 4.45,1310 6.586,1311 0.079,1312 0.035,1313 5.401,1314 2.902,1315 0.322,1316 104.819,1317 0.212,1318 30.817,1319 0.55,1320 170,1321 861.573,1322 230.713,1323 684.968,1324 855.1,1325 630,1326 193,1327 545.905,1328 237.417,1329 526.803,1330 805.3,1331 491,1332 5.699}
{0 CHEMBL2178575,1 1.959,2 12.182,3 3.653,4 13.347,5 128.923,6 9.751,7 0.583,8 4.09,9 4.166,10 4.017,11 3.699,12 5.273,13 3.664,14 4.596,15 4.705,16 4.438,17 4.092,18 5.98,19 4.034,20 4.78,21 4.917,22 4.417,23 4.141,24 6.106,25 4.091,26 4.843,27 5.003,28 4.405,29 4.138,30 6.136,31 4.095,32 4.868,33 5.033,34 4.432,35 4.159,36 6.185,37 4.115,38 4.903,39 5.079,40 4.364,41 4.203,42 6.153,43 4.13,44 4.882,45 5.042,46 4.357,47 4.192,48 6.146,49 4.118,50 4.87,51 5.041,52 4.281,53 4.164,54 6.101,55 4.061,56 0.231,57 0.799,58 8.685,59 5.037,60 25.577,61 4.636,62 0.637,63 1.25,64 22.318,65 9.026,66 68.689,67 8.177,68 0.767,69 1.48,70 26.156,71 10.188,72 84.042,73 9.679,74 0.827,75 1.544,76 28.866,77 10.447,78 72.939,79 10.696,80 0.938,81 1.568,82 25.711,83 10.214,84 86.293,85 10.406,86 0.94,87 1.622,88 32.883,89 12.09,90 82.933,91 12.4,92 0.871,93 1.528,94 30.995,95 12.253,96 102.866,97 11.91,98 0.95,99 1.475,100 34.731,101 12.842,102 96.844,103 12.622,104 43,105 52,106 0.321,107 0.68,108 0.805,109 0.895,110 0.901,111 0.901,112 3.532,113 1.025,114 -3.25,115 -3.24,116 -3.11,119 40.4,124 1,125 2,138 9,139 2,140 2,143 1,148 1,149 2,151 1,159 1,163 7,165 1,166 6,169 4,171 3,172 11,176 10,179 2,180 1,181 4,183 4,186 4,187 13,190 1,192 4,194 2,197 2,198 8,201 1,203 5,205 7,208 2,209 10,212 1,214 4,217 6,220 1,221 10,226 4,227 10,230 1,231 7,234 1,235 1,236 2,238 8,242 6,245 2,247 1,249 9,252 1970,253 22.021,254 22.021,255 22.021,256 22.021,257 22.021,258 19.092,259 28.311,260 12.738,261 22.873,262 17.669,263 17.669,264 17.669,265 17.669,266 17.669,267 13.007,268 39.533,269 5.919,270 19.086,271 3.742,272 1.552,273 0.794,274 0.245,275 0.207,276 0.207,277 4.221,280 1,283 1,284 854,285 4.301,287 162.843,288 196.453,291 138.929,295 1.774,296 49.214,299 0.75,300 0.67,301 0.83,302 0.3,304 0.67,305 1,306 0.6,307 73.333,308 402,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.008,316 12.608,317 3.193,318 4.683,319 3.604,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.102,328 3.372,329 5.842,330 3.722,331 2.741,332 3.691,333 0.522,334 8.193,335 2.687,336 3.86,337 2.899,338 5.601,339 3.405,340 2.443,341 3.424,342 0.359,343 7.557,344 2.357,345 3.757,346 2.888,347 5.365,348 3.249,349 2.416,350 3.165,352 6.797,353 2.156,354 3.6,355 2.597,356 5.153,357 3.207,358 2.233,359 2.85,361 6.334,362 1.997,363 3.384,364 2.304,365 5.115,366 2.923,367 1.987,368 2.732,370 5.993,371 1.844,372 3.219,373 2.108,374 4.699,375 2.83,376 1.843,377 2.429,379 5.038,380 1.801,381 2.799,382 1.622,383 4.498,384 2.356,385 1.405,386 1.89,388 4.084,389 1.331,390 2.764,391 1.612,392 4.437,393 2.238,394 1.347,395 1.862,397 3.874,398 1.185,399 2.655,400 1.425,401 3.731,402 2.165,403 1.177,404 1.722,406 2.795,407 1.162,408 2.627,409 1.252,410 3.492,411 2.125,412 1.171,413 1.673,415 2.602,416 1.035,417 2.179,418 1.208,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.64,427 0.953,428 3.143,429 1.343,430 0.47,431 0.532,433 0.769,434 0.406,435 1.507,436 0.796,437 3.004,438 1.268,439 0.383,440 0.409,442 0.559,443 0.333,444 16.148,445 0.489,446 0.957,447 0.029,448 45.25,449 1.371,450 24,451 0.727,452 21.25,453 0.644,454 27.845,455 0.844,456 35.452,457 0.682,458 38.301,459 1.161,460 8.926,461 0.27,462 6.875,463 0.208,464 0.158,465 0.052,466 0.303,472 0.694,473 1.172,474 0.69,475 1.008,476 0.714,477 0.814,478 0.803,479 1.069,480 0.635,481 0.775,482 0.656,483 0.812,484 0.956,485 1.22,486 0.96,487 1.087,488 0.918,489 1.003,490 0.894,491 1.188,492 0.735,493 0.916,494 0.861,495 0.964,496 0.881,497 1.002,498 0.721,499 0.86,500 0.886,501 0.943,502 0.898,503 0.939,504 0.894,505 0.911,506 0.769,507 0.905,508 1.083,509 1.012,510 0.917,511 0.978,512 1.197,513 0.981,514 1.084,515 0.872,516 1.057,517 0.978,518 1.048,519 0.993,520 8.5,521 0.25,522 3.778,523 3.229,524 1.931,525 1.515,526 0.951,527 0.587,528 0.508,529 0.37,530 14266,531 54149,532 2.036,533 36.5,535 16,538 3,542 1.758,543 1.877,544 3.548,545 0.952,550 101.864,551 1.959,552 4.148,553 4.907,554 5.455,555 5.494,556 5.494,557 3.037,558 4.802,559 5.012,560 3.704,561 1955.59,562 8.811,563 28740.7,568 296.423,569 1.628,570 4.954,571 0.236,572 0.008,573 0.073,574 0.062,575 0.036,576 0.029,577 0.018,578 0.012,579 0.011,580 0.009,581 0.495,582 0.33,583 0.88,584 1.151,585 173.716,586 -0.014,587 -0.025,588 0.098,589 -0.013,590 -0.148,591 0.045,592 0.07,593 0.021,594 0.182,595 0.177,596 0.112,597 0.065,598 -0.049,599 -0.145,600 -0.054,601 -0.115,602 -0.021,603 -0.091,604 0.008,605 -0.14,606 0.042,607 -0.047,608 -0.003,609 -0.056,610 0.027,611 0.036,612 0.063,613 -0.014,614 0.002,615 -0.034,616 -0.016,617 0.085,618 -0.014,619 0.049,620 0.033,621 0.071,622 -0.131,623 -0.027,624 -0.037,625 -0.001,626 -0.134,627 -0.006,628 -0.109,629 0.092,630 -0.075,631 0.051,632 -0.101,633 0.022,634 4.827,635 5.892,636 0.606,637 34.033,638 1.031,639 1.118,640 2.023,641 4.094,642 0.722,643 3.611,644 3.97,645 4.234,646 4.533,647 4.736,648 4.868,649 5.017,650 5.17,651 5.288,652 5.398,653 7.071,654 0.694,655 507.03,656 3.611,657 5.176,658 6.033,659 6.936,660 7.817,661 8.727,662 9.619,663 10.534,664 11.433,665 12.35,666 7.7,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 52,705 24,706 2,707 36,709 55,710 21,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 3,733 3,736 1,737 3,741 1,747 19,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,762 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 1,802 1,805 33,808 1,809 1,810 2,811 2,812 1,820 1,824 1,825 9.6,826 1,828 3,830 1,832 17.583,833 9.493,834 7.236,835 2.695,836 3.729,837 1.471,838 0.986,839 7.138,840 11.654,841 3.922,842 4.595,843 5.163,844 5.794,845 6.273,846 6.632,847 7.028,848 7.472,849 7.806,850 8.182,851 1,852 52,853 12.485,854 5.693,855 8.087,856 22.578,857 18.6,859 2.587,860 85.361,864 188.338,865 159.969,866 52.855,867 39.149,868 123.141,870 37.085,871 122.884,872 350.627,873 52.855,874 10.883,875 20.116,876 133.777,877 107.231,878 28.209,879 43.621,880 219.615,882 188.338,883 175.739,884 123.141,885 76.234,887 188.338,888 80.458,889 42.683,891 23.566,892 119.105,893 38.875,894 70.426,895 188.338,896 175.996,897 199.118,899 5.807,900 188.338,901 57.992,902 97.946,903 34.416,904 178.953,905 188.338,906 175.996,907 199.118,909 0.586,910 0.342,911 0.184,912 0.101,913 25,914 12,915 0.145,916 8,917 1,918 1.1,919 4.233,920 312.597,921 0.1,922 20,923 164.465,924 1,927 1,928 23.821,929 9.889,930 5.27,931 1.164,932 174.22,933 15.318,934 4.508,937 0.944,938 2.337,939 1.643,940 77.099,941 563.452,942 49.5,945 -3.91,946 37.269,950 -0.521,952 53.589,953 58.146,954 0.344,955 0.728,956 0.861,957 0.957,958 0.964,959 0.964,960 5.172,961 1.843,962 6.061,963 5.993,964 4.654,965 5.283,966 2.326,967 6.932,968 4.52,969 6.431,970 1.405,971 7.662,972 5.038,973 4.443,974 5.394,975 1.593,976 8.113,977 4.22,978 7.792,979 1.347,980 9.373,981 4.084,982 6.344,983 7.643,984 3.204,985 11.182,986 6.084,987 9.195,988 1.177,989 11.15,990 3.874,991 6.938,992 8.576,993 3.201,994 13.206,995 6.579,996 10.634,997 1.171,998 12.975,999 2.795,1000 8.365,1001 10.357,1002 4.396,1003 15.873,1004 7.967,1005 12.098,1006 0.687,1007 14.832,1008 2.602,1009 9.31,1010 11.643,1011 4.715,1012 18.212,1013 8.812,1014 13.583,1015 0.47,1016 16.716,1017 1.671,1018 10.577,1019 13.266,1020 5.697,1021 20.768,1022 10.029,1023 3.431,1024 0.383,1025 18.619,1026 0.769,1027 11.674,1028 14.704,1029 6.178,1030 23.218,1031 11.034,1032 3.227,1033 12.608,1034 20.538,1035 0.559,1036 12.893,1037 16.273,1038 7.041,1039 25.742,1040 12.19,1041 2.741,1042 11.652,1043 22.469,1044 4.768,1045 14.054,1046 17.774,1047 7.612,1048 28.233,1049 13.265,1050 2.443,1051 8.193,1052 24.41,1053 4.632,1054 15.261,1055 19.327,1056 8.407,1057 30.749,1058 14.403,1059 2.416,1060 7.557,1061 26.359,1062 3.691,1063 16.451,1064 20.856,1065 9.03,1066 33.255,1067 15.511,1068 2.233,1069 6.797,1070 28.314,1071 3.424,1072 17.658,1073 22.405,1074 9.784,1075 35.77,1076 16.645,1077 1.987,1078 6.334,1079 30.273,1080 3.165,1081 18.861,1082 23.945,1083 10.437,1084 38.283,1085 17.77,1086 13877,1087 27265,1088 23.463,1089 37.54,1090 54.068,1091 56.511,1092 56.552,1093 53.898,1094 53.922,1095 73.594,1096 7.496,1097 161.052,1098 50.074,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.549,1106 20.175,1107 5.193,1108 18.936,1109 1.502,1110 1.57,1111 1.571,1112 1.497,1113 1.498,1114 2.044,1115 0.208,1116 4.474,1117 1.391,1118 4.168,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.063,1124 3.999,1125 3.967,1126 4.168,1127 3.984,1128 7.43,1129 3.926,1130 3.906,1131 3.932,1132 4.078,1133 3.837,1134 6.999,1135 3.835,1136 3.565,1137 3.594,1138 3.849,1139 3.528,1140 6.45,1141 3.423,1142 3.554,1143 3.547,1144 3.481,1145 3.311,1146 5.048,1147 3.346,1148 3.408,1149 3.447,1150 3.34,1151 3.199,1152 4.885,1153 3.214,1154 3.223,1155 3.289,1156 3.168,1157 2.993,1158 4.737,1159 2.996,1160 3.058,1161 3.105,1162 3.065,1163 2.91,1164 4.597,1165 2.903,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.056,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 2.008,1182 12.608,1183 3.193,1184 1.958,1185 1.937,1186 2.051,1187 2.064,1188 1.22,1189 2.061,1190 1.894,1191 1.876,1192 1.979,1193 1.988,1194 1.118,1195 1.994,1196 1.729,1197 1.777,1198 1.643,1199 1.842,1200 0.94,1201 1.882,1202 1.46,1203 1.418,1204 1.613,1205 1.727,1206 0.747,1207 1.704,1208 1.413,1209 1.403,1210 1.583,1211 1.622,1212 0.666,1213 1.606,1214 1.352,1215 1.306,1216 1.519,1217 1.501,1218 0.604,1219 1.527,1220 1.175,1221 1.096,1222 1.339,1223 1.454,1224 0.57,1225 1.487,1226 1.117,1227 1.083,1228 1.172,1229 1.233,1230 0.368,1231 1.259,1232 4.29,1233 5.638,1234 3.045,1235 7.168,1236 5.416,1237 8.783,1238 7.535,1239 10.447,1241 1.497,1242 5.907,1246 8.947,1247 -0.328,1248 5.134,1249 5.453,1257 36.076,1258 101.864,1259 215.713,1260 255.139,1261 283.668,1262 285.668,1263 285.668,1264 79.408,1265 7.925,1266 122.55,1267 159.17,1268 22,1269 12.864,1270 4.644,1271 3.858,1272 54.084,1273 138,1274 162,1275 0.191,1276 231.115,1277 392.6,1278 555.681,1279 29996,1280 1.9,1281 23.587,1282 0.715,1283 0.596,1284 24.691,1285 19.668,1286 15.801,1287 0.439,1288 0.342,1289 9.674,1290 13.772,1291 9.232,1292 7.629,1293 17.319,1294 12.296,1295 14.788,1296 0.284,1297 0.203,1298 17.362,1299 10.556,1300 11.979,1301 0.176,1302 0.114,1303 14.37,1304 7.753,1305 10.076,1306 0.11,1307 0.063,1308 12.275,1309 5.792,1310 7.973,1311 0.071,1312 0.037,1313 10.376,1314 4.2,1315 0.296,1316 115.448,1317 0.206,1318 30.383,1319 0.534,1320 176,1321 616.972,1322 285.26,1323 657.401,1324 871.26,1325 606,1326 208,1327 563.826,1328 306.145,1329 630.606,1330 923.41,1331 588,1332 8}
{0 CHEMBL2207081,1 2.075,2 9.4,3 4.549,4 20.696,5 102.145,6 11.603,7 0.63,8 3.733,9 3.805,10 3.808,11 3.408,12 4.932,13 3.37,14 4.225,15 4.321,16 4.146,17 3.79,18 5.701,19 3.742,20 4.445,21 4.57,22 4.275,23 3.917,24 5.773,25 3.816,26 4.474,27 4.625,28 4.185,29 3.826,30 5.791,31 3.729,32 4.443,33 4.593,34 4.295,35 3.777,36 5.877,37 3.72,38 4.401,39 4.519,40 4.205,41 3.735,42 5.995,43 3.7,44 4.26,45 4.411,46 3.979,47 3.686,48 5.605,49 3.591,50 4.198,51 4.361,52 3.926,53 3.56,54 5.595,55 3.466,56 0.181,57 0.562,58 2.447,59 3.021,60 20.695,61 2.569,62 0.453,63 0.845,64 4.496,65 4.869,66 48.56,67 4.448,68 0.615,69 0.959,70 19.64,71 7.497,72 57.747,73 6.577,74 0.699,75 0.991,76 23.207,77 8.195,78 73.199,79 6.885,80 0.776,81 0.943,82 30.123,83 8.457,84 98.239,85 7.025,86 0.901,87 0.862,88 16.979,89 6.56,90 101.595,91 5.215,92 0.511,93 0.78,94 11.375,95 5.989,96 49.119,97 6.112,98 0.576,99 0.631,100 18.916,101 6.14,102 56.969,103 6.468,104 26,105 39,106 0.371,107 0.66,108 0.783,109 0.884,110 0.903,111 0.903,112 3.267,113 1.063,114 -4.34,115 -4.27,116 -4.03,119 41.7,125 1,138 6,139 1,140 5,141 1,147 1,159 2,163 3,165 2,166 1,169 2,171 2,172 8,176 6,181 3,183 7,187 10,190 1,192 3,194 2,198 7,201 1,203 1,205 4,208 2,209 9,212 1,214 1,217 4,220 2,221 3,227 7,230 2,231 4,238 5,242 4,249 3,252 922,253 16.264,254 16.264,255 16.264,256 16.264,257 16.264,258 13.775,259 16.356,260 9.418,261 16.909,262 13.311,263 13.311,264 13.311,265 13.311,266 13.311,267 9.625,268 18.973,269 4.5,270 14.554,271 3.095,272 1.473,273 0.785,274 0.222,275 0.111,276 0.111,277 3.94,279 3,282 1,283 1,284 498,285 3.391,287 67.782,288 173.258,295 1.376,296 36.67,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 55,308 235,309 4.866,310 4.688,311 7.316,312 4.328,313 3.408,314 4.718,315 0.522,316 12.554,317 3.113,318 4.261,319 3.278,320 6.189,321 3.854,322 2.891,323 3.907,325 9.233,326 2.774,327 4.094,328 3.154,329 5.892,330 3.566,331 2.691,332 3.705,334 8.037,335 2.344,336 3.888,337 2.797,338 5.356,339 3.42,340 2.48,341 3.456,343 6.988,344 2.262,345 3.439,346 2.461,347 4.938,348 2.963,349 2.077,350 2.76,352 5.72,353 1.751,354 3.106,355 2.152,356 4.843,357 2.621,358 1.664,359 2.33,361 4.976,362 1.544,363 2.86,364 1.866,365 4.265,366 2.394,367 1.42,368 1.99,370 3.909,371 1.362,372 2.819,373 1.542,374 4.039,375 2.304,376 1.414,377 1.945,379 3.51,380 1.194,381 2.579,382 1.223,383 3.431,384 2.092,385 1.149,386 1.612,388 2.548,389 1.076,390 2.118,391 0.789,392 3.25,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.614,400 0.676,401 3,402 1.269,403 0.332,404 0.409,406 0.825,407 0.294,408 1.369,409 0.618,410 2.832,411 0.837,412 0.099,413 0.12,415 0.218,416 0.059,417 1.033,418 0.265,419 2.664,420 0.656,421 -0.266,422 -0.326,424 -0.77,425 -0.215,426 1,427 0.043,428 2.375,429 0.262,430 -0.587,431 -0.715,433 -1.517,434 -0.433,435 0.743,436 -0.242,437 2.35,438 0.226,439 -0.647,440 -0.841,442 -1.712,443 -0.455,444 12.743,445 0.51,446 0.824,447 0.033,448 35.25,449 1.41,450 19.5,451 0.78,452 15.75,453 0.63,454 18.964,455 0.759,456 26.257,457 0.729,458 26.227,459 1.049,460 6.879,461 0.275,462 4.97,463 0.199,464 0.22,465 0.065,466 0.267,472 0.486,473 1.119,474 0.577,475 0.987,476 0.645,477 0.744,478 0.673,479 1.104,480 0.682,481 0.804,482 0.568,483 0.823,484 1.1,485 1.134,486 1.057,487 1.101,488 0.994,489 1.113,490 1.229,491 1.073,492 0.981,493 1.081,494 1.317,495 1.072,496 1.075,497 0.982,498 0.75,499 0.986,500 1.343,501 0.803,502 1.016,503 0.874,504 0.947,505 1.024,506 1.371,507 1.02,508 0.79,509 1.028,510 0.821,511 0.942,512 0.804,513 1.051,514 1.052,515 0.92,516 1.118,517 0.894,518 0.932,519 0.97,520 7,521 0.087,522 3.556,523 1.847,524 1.862,525 0.965,526 0.612,527 0.476,528 0.309,529 0.146,530 6590,531 29117,532 2.005,533 30.6,535 8,536 1,537 1,538 1,542 1.685,543 1.84,544 3.219,545 -0.159,550 74.705,551 2.075,552 3.697,553 4.385,554 4.948,555 5.059,556 5.059,557 2.661,558 4.404,559 4.616,560 3.36,561 1007.99,562 8.009,563 12101.1,565 1,568 186.117,569 1.673,570 4.546,571 0.259,572 0.008,573 0.091,574 0.05,575 0.055,576 0.026,577 0.017,578 0.016,579 0.012,580 0.009,581 0.543,582 0.17,583 1,584 0.65,585 119.388,586 0.107,587 0.046,588 0.06,589 -0.092,590 -0.13,591 0.011,592 0.104,593 -0.01,594 -0.023,595 0.038,596 0.22,597 -0.034,598 -0.199,599 -0.138,600 -0.107,601 -0.098,602 -0.086,603 -0.162,604 -0.226,605 -0.057,606 -0.066,607 -0.021,608 -0.173,609 -0.075,610 0.009,611 0.022,612 0.171,613 0.102,614 -0.023,615 0.217,616 0.157,617 0.098,618 -0.07,619 -0.114,620 0.012,621 -0.129,622 0.048,623 -0.074,624 0.018,625 -0.013,626 0.032,627 -0.051,628 -0.025,629 -0.066,630 -0.026,631 0.055,632 0.031,633 0.104,634 4.784,635 5.64,636 0.68,637 19.946,638 1.042,639 1.118,640 3.106,641 9.646,642 0.777,643 3.332,644 3.689,645 3.892,646 4.094,647 4.29,648 4.331,649 4.344,650 4.357,651 4.369,652 4.369,653 5.722,654 0.745,655 417.72,656 3.332,657 4.89,658 5.727,659 6.611,660 7.469,661 8.354,662 9.221,663 10.107,664 10.978,665 11.864,666 11.1,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 3,703 36,705 19,706 2,707 27,709 38,710 15,711 14,712 6,713 6,717 3,718 3,719 3,729 14,730 1,733 2,736 1,737 2,744 1,747 11,748 5,749 1,750 10,751 4,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 3,805 25,808 1,810 1,811 1,822 1,824 3,825 5.6,828 2,832 13.583,833 6.445,834 5.347,835 1.872,836 2.998,837 1.436,838 1,839 5.437,840 9.879,841 3.651,842 4.321,843 4.803,844 5.322,845 5.77,846 5.963,847 6.188,848 6.405,849 6.671,850 6.957,851 1,852 37,853 9.449,854 4.338,855 8.11,856 16.895,857 13.837,859 2.61,860 65.25,864 117.711,865 100.86,866 51.385,867 117.446,868 44.313,870 5.807,871 95.053,872 279.47,873 51.385,875 2.106,876 71.712,877 105.693,878 28.819,879 11.771,880 94.169,881 117.446,882 117.711,883 146.438,884 44.313,885 123.253,887 117.711,888 44.313,891 12.93,892 83.9,893 172.862,895 117.711,896 95.698,897 218.306,899 5.807,900 117.711,901 20.101,902 76.729,903 16.405,904 194.962,905 117.711,906 95.698,907 218.306,909 0.596,910 0.336,911 0.165,912 0.092,913 19,914 9,915 0.132,916 5,918 1,919 3.596,920 205.845,922 17,923 114.096,927 1,928 18.327,929 7.416,930 4.387,932 93.921,933 12.213,934 7.602,938 1.837,939 1.57,940 16.405,941 431.715,942 37.5,945 -3.868,946 25.281,952 37.527,953 40.24,954 0.401,955 0.715,956 0.848,957 0.957,958 0.979,959 0.979,960 4.892,961 1.414,962 5.765,963 3.909,964 4.369,965 5.007,966 0.434,967 6.611,968 4.199,969 6.158,970 1.149,971 7.361,972 3.51,973 4.205,974 5.121,976 7.811,977 3.856,978 7.519,979 0.618,980 9.069,981 2.548,982 6.057,983 7.343,984 0.138,985 10.823,986 5.734,987 8.921,988 0.332,989 10.846,990 1.372,991 6.673,992 8.245,994 12.852,995 6.183,996 10.356,997 0.099,998 12.669,999 0.825,1000 8.072,1001 10.003,1002 0.039,1003 15.493,1004 7.586,1005 11.815,1006 -0.266,1007 14.526,1008 0.218,1009 9.019,1010 11.245,1012 17.835,1013 8.392,1014 13.293,1015 -0.587,1016 16.409,1017 -0.77,1018 10.27,1019 12.846,1020 0.011,1021 20.383,1022 9.612,1023 3.408,1024 -0.647,1025 18.312,1026 -1.517,1027 11.36,1028 14.242,1030 22.841,1031 10.582,1032 2.891,1033 12.554,1034 20.231,1035 -1.712,1036 12.568,1037 15.791,1038 0.003,1039 25.368,1040 11.732,1041 2.691,1042 9.233,1043 22.163,1044 4.718,1045 13.721,1046 17.26,1048 27.869,1049 12.78,1050 2.48,1051 8.037,1052 24.105,1053 3.907,1054 14.921,1055 18.795,1056 0.001,1057 30.394,1058 13.906,1059 2.077,1060 6.988,1061 26.056,1062 3.705,1063 16.105,1064 20.3,1066 32.911,1067 14.991,1068 1.664,1069 5.72,1070 28.014,1071 3.456,1072 17.308,1073 21.835,1075 35.437,1076 16.11,1077 1.42,1078 4.976,1079 29.978,1080 2.76,1081 18.508,1082 23.36,1084 37.962,1085 17.213,1086 6473,1087 13777,1088 17.394,1089 27.96,1090 40.733,1091 42.391,1092 41.484,1093 40.869,1094 40.49,1095 55.758,1096 1.043,1097 119.783,1098 36.765,1099 5.722,1100 6.688,1101 6.93,1102 5.397,1103 5.408,1104 7.718,1105 1.043,1106 20.02,1107 5.113,1108 13.803,1109 1.509,1110 1.57,1111 1.536,1112 1.514,1113 1.5,1114 2.065,1115 0.039,1116 4.436,1117 1.362,1118 4.1,1119 4.093,1120 4.74,1121 4.084,1122 7.717,1123 4.006,1124 3.939,1125 3.973,1126 4.057,1127 3.859,1128 6.999,1129 3.851,1130 3.781,1131 3.831,1132 4.005,1133 3.579,1134 5.117,1135 3.595,1136 3.602,1137 3.566,1138 3.801,1139 3.536,1140 5.03,1141 3.469,1142 3.091,1143 3.148,1144 3.4,1145 2.982,1146 4.922,1147 2.965,1148 2.88,1149 2.925,1150 3.346,1151 2.795,1152 4.49,1153 2.768,1154 2.868,1155 2.921,1156 3.097,1157 2.743,1158 4.334,1159 2.732,1160 2.663,1161 2.701,1162 2.743,1163 2.556,1164 4.178,1165 2.524,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.866,1172 0.175,1173 4.688,1174 0.019,1175 7.316,1176 0.465,1177 4.328,1178 0.115,1179 3.408,1180 4.718,1181 0.522,1182 12.554,1183 3.113,1184 1.976,1185 1.984,1186 1.998,1187 2.051,1188 1.214,1189 2.078,1190 1.88,1191 1.864,1192 1.905,1193 1.946,1194 1.123,1195 1.966,1196 1.477,1197 1.463,1198 1.632,1199 1.705,1200 0.758,1201 1.69,1202 1.407,1203 1.406,1204 1.379,1205 1.541,1206 0.542,1207 1.582,1208 1.192,1209 1.117,1210 1.222,1211 1.486,1212 0.426,1213 1.449,1214 0.869,1215 0.824,1216 1.103,1217 1.041,1218 0.181,1219 1.072,1220 0.858,1221 0.807,1222 0.976,1223 1.028,1224 0.147,1225 1.052,1226 0.786,1227 0.724,1228 0.87,1229 1.003,1231 1.021,1232 4.007,1233 5.352,1234 2.398,1235 6.874,1236 4.443,1237 8.479,1238 6.26,1239 10.127,1242 17.758,1247 0.33,1248 2.528,1257 26.819,1258 74.705,1259 133.098,1260 157.853,1261 178.117,1262 182.117,1263 182.117,1264 56.421,1265 6.88,1266 76.88,1267 85.26,1268 17,1269 12.399,1270 4.322,1271 3.524,1272 41.539,1273 84,1274 83,1275 0.24,1276 180.355,1277 302.88,1278 431.827,1279 8221,1280 8.3,1281 18.027,1282 0.721,1283 0.624,1284 19.777,1285 15.61,1286 11.848,1287 0.439,1288 0.354,1289 7.077,1290 9.796,1291 6.718,1292 5.523,1293 13.535,1294 9.571,1295 11.482,1296 0.294,1297 0.206,1298 13.932,1299 8.017,1300 9.005,1301 0.188,1302 0.118,1303 11.259,1304 5.659,1305 6.896,1306 0.117,1307 0.064,1308 8.573,1309 3.773,1310 5.381,1311 0.075,1312 0.041,1313 7.309,1314 2.929,1315 0.368,1316 91.774,1317 0.24,1318 24.006,1319 0.682,1320 132,1321 472.21,1322 226.712,1323 567.932,1324 730.44,1325 518,1326 153,1327 438.799,1328 247.267,1329 507.634,1330 731.82,1331 473,1332 6.4}
{0 CHEMBL2207082,1 2.075,2 9.4,3 3.937,4 15.497,5 101.766,6 11.603,7 0.63,8 3.733,9 3.803,10 3.808,11 3.404,12 4.932,13 3.368,14 4.228,15 4.328,16 4.144,17 3.795,18 5.7,19 3.746,20 4.438,21 4.553,22 4.276,23 3.933,24 5.764,25 3.826,26 4.505,27 4.671,28 4.183,29 3.838,30 5.801,31 3.737,32 4.429,33 4.568,34 4.293,35 3.788,36 5.867,37 3.729,38 4.423,39 4.548,40 4.205,41 3.751,42 6.009,43 3.706,44 4.271,45 4.43,46 3.971,47 3.687,48 5.544,49 3.594,50 4.205,51 4.355,52 3.946,53 3.541,54 5.701,55 3.459,56 0.175,57 0.559,58 2.42,59 3.016,60 20.695,61 2.51,62 0.47,63 0.851,64 4.812,65 4.834,66 48.941,67 4.335,68 0.579,69 0.942,70 18.305,71 7.542,72 54.753,73 6.934,74 0.742,75 1.019,76 25.829,77 8.625,78 78.38,79 7.409,80 0.743,81 0.923,82 28.417,83 8.271,84 94.98,85 6.804,86 0.918,87 0.881,88 17.395,89 6.87,90 100.401,91 5.728,92 0.484,93 0.801,94 14.499,95 6.431,96 47.275,97 6.302,98 0.679,99 0.614,100 17.923,101 5.699,102 74.165,103 5.719,104 26,105 39,106 0.371,107 0.64,108 0.753,109 0.854,110 0.874,111 0.874,112 3.267,113 1.062,114 -5.15,115 -5.04,116 -4.72,119 41.7,125 1,138 6,139 1,140 5,153 2,159 1,163 3,165 3,166 1,169 2,171 2,172 8,176 5,181 3,183 7,187 10,190 1,192 3,194 2,198 6,203 1,205 4,208 2,209 11,212 2,214 1,217 4,221 2,227 7,230 4,231 3,238 5,242 5,249 3,252 922,253 16.264,254 16.264,255 16.264,256 16.264,257 16.264,258 13.775,259 16.356,260 9.418,261 16.97,262 13.311,263 13.311,264 13.311,265 13.311,266 13.311,267 9.625,268 18.973,269 4.5,270 14.664,271 3.095,272 1.584,273 0.952,274 0.389,275 0.278,276 0.278,277 3.94,279 3,282 1,283 1,284 498,285 3.391,287 67.782,288 173.258,295 1.376,296 36.412,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 55,308 235,309 4.866,310 4.688,311 7.316,312 4.328,313 3.408,314 4.718,315 0.522,316 12.554,317 3.113,318 4.261,319 3.278,320 6.189,321 3.851,322 2.891,323 3.907,325 9.233,326 2.766,327 4.094,328 3.154,329 5.892,330 3.564,331 2.691,332 3.705,334 8.037,335 2.291,336 3.888,337 2.797,338 5.356,339 3.389,340 2.48,341 3.456,343 6.988,344 2.233,345 3.439,346 2.461,347 4.938,348 2.959,349 2.077,350 2.76,352 5.72,353 1.746,354 3.106,355 2.152,356 4.843,357 2.62,358 1.664,359 2.33,361 4.976,362 1.543,363 2.86,364 1.866,365 4.265,366 2.394,367 1.42,368 1.99,370 3.909,371 1.362,372 2.819,373 1.542,374 4.039,375 2.304,376 1.414,377 1.945,379 3.51,380 1.194,381 2.579,382 1.223,383 3.431,384 2.1,385 1.149,386 1.612,388 2.548,389 1.085,390 2.118,391 0.789,392 3.25,393 1.518,394 0.618,395 0.927,397 1.372,398 0.556,399 1.614,400 0.676,401 3,402 1.27,403 0.332,404 0.409,406 0.825,407 0.294,408 1.369,409 0.618,410 2.832,411 0.837,412 0.099,413 0.12,415 0.218,416 0.059,417 1.033,418 0.265,419 2.664,420 0.656,421 -0.266,422 -0.326,424 -0.77,425 -0.215,426 1,427 0.043,428 2.375,429 0.263,430 -0.587,431 -0.715,433 -1.517,434 -0.433,435 0.743,436 -0.242,437 2.35,438 0.226,439 -0.647,440 -0.841,442 -1.712,443 -0.456,444 12.743,445 0.51,446 0.824,447 0.033,448 35.75,449 1.43,450 19.5,451 0.78,452 16.25,453 0.65,454 18.765,455 0.751,456 26.257,457 0.729,458 26.427,459 1.057,460 6.946,461 0.278,462 4.902,463 0.196,464 0.22,465 0.065,466 0.267,472 0.532,473 1.283,474 0.578,475 1.018,476 0.645,477 0.757,478 0.679,479 0.911,480 0.689,481 0.732,482 0.572,483 0.769,484 1.023,485 1.223,486 1.052,487 1.192,488 0.97,489 1.208,490 1.211,491 0.964,492 0.951,493 1.002,494 1.284,495 1,496 1.082,497 1.074,498 0.765,499 1.046,500 1.357,501 0.864,502 0.969,503 0.825,504 0.931,505 1.001,506 1.316,507 1.033,508 0.942,509 1.086,510 0.874,511 0.992,512 0.89,513 0.995,514 1.151,515 0.787,516 1.184,517 0.824,518 1.172,519 0.995,520 7,521 0.087,522 3.556,523 1.847,524 1.862,525 0.965,526 0.612,527 0.476,528 0.309,529 0.146,530 6590,531 29295,532 2.005,533 30.6,535 8,537 2,538 1,542 1.685,543 1.84,544 3.219,545 -0.159,547 1,550 74.705,551 2.075,552 3.586,553 4.218,554 4.781,555 4.892,556 4.892,557 2.661,558 4.404,559 4.616,560 3.36,561 1007.99,562 8.009,563 12101.1,565 1,567 1,568 186.117,569 1.673,570 4.546,571 0.259,572 0.008,573 0.091,574 0.05,575 0.055,576 0.026,577 0.017,578 0.016,579 0.012,580 0.009,581 0.543,582 0.17,583 1,584 0.65,585 119.388,586 0.059,587 -0.122,588 0.059,589 -0.124,590 -0.13,591 -0.003,592 0.104,593 0.199,594 -0.03,595 0.111,596 0.216,597 0.017,598 -0.146,599 -0.257,600 -0.112,601 -0.191,602 -0.07,603 -0.255,604 -0.213,605 0.046,606 -0.026,607 0.068,608 -0.158,609 0.033,610 -0.009,611 -0.081,612 0.144,613 0.034,614 -0.036,615 0.138,616 0.188,617 0.141,618 -0.055,619 -0.085,620 0.04,621 -0.122,622 -0.107,623 -0.128,624 0.01,625 -0.006,626 -0.05,627 0.041,628 0.006,629 0.072,630 -0.097,631 0.07,632 -0.02,633 0.014,634 4.78,635 5.644,636 0.68,637 19.946,638 1.042,639 1.118,640 3.918,641 15.349,642 0.777,643 3.332,644 3.689,645 3.892,646 4.094,647 4.29,648 4.331,649 4.344,650 4.357,651 4.369,652 4.369,653 5.722,654 0.745,655 417.72,656 3.332,657 4.89,658 5.727,659 6.611,660 7.469,661 8.354,662 9.221,663 10.107,664 10.978,665 11.864,666 11.1,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 3,703 36,705 19,706 2,707 27,709 38,710 15,711 14,712 6,713 6,717 3,718 3,719 3,729 14,730 1,733 2,736 1,737 2,744 1,747 11,748 5,749 1,750 10,751 4,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 3,805 25,808 1,810 1,811 1,822 1,824 3,825 5.6,828 2,832 13.583,833 6.445,834 5.347,835 1.854,836 2.998,837 1.436,838 1.002,839 5.437,840 9.879,841 3.651,842 4.321,843 4.803,844 5.322,845 5.77,846 5.963,847 6.188,848 6.405,849 6.671,850 6.957,851 1,852 37,853 9.446,854 4.333,855 8.11,856 16.895,857 13.837,859 2.61,860 65.25,864 117.711,865 100.003,866 51.63,867 117.446,868 44.313,870 5.807,871 94.195,872 279.47,873 51.63,875 2.106,876 62.665,877 134.823,878 19.894,880 94.169,881 117.446,882 117.711,883 145.825,884 44.313,885 123.253,887 117.711,888 44.313,891 21.242,892 74.852,893 172.984,895 117.711,896 95.943,897 217.449,899 5.807,900 117.711,901 20.101,902 75.994,903 16.405,904 195.085,905 117.711,906 95.943,907 217.449,909 0.596,910 0.336,911 0.165,912 0.092,913 19,914 9,915 0.132,916 5,918 1,919 3.596,920 205.845,922 17,923 110.096,927 1,928 18.327,929 7.416,930 4.387,932 94.044,933 12.104,934 7.454,938 1.883,939 1.709,940 16.405,941 431.103,942 37.5,945 -3.863,946 25.287,952 37.527,953 40.24,954 0.401,955 0.694,956 0.816,957 0.925,958 0.946,959 0.946,960 4.892,961 1.414,962 5.765,963 3.909,964 4.369,965 5.007,966 0.434,967 6.611,968 4.185,969 6.158,970 1.149,971 7.361,972 3.51,973 4.205,974 5.121,976 7.811,977 3.845,978 7.519,979 0.618,980 9.069,981 2.548,982 6.057,983 7.343,984 0.138,985 10.823,986 5.711,987 8.921,988 0.332,989 10.846,990 1.372,991 6.673,992 8.245,994 12.852,995 6.164,996 10.356,997 0.099,998 12.669,999 0.825,1000 8.072,1001 10.003,1002 0.039,1003 15.493,1004 7.561,1005 11.815,1006 -0.266,1007 14.526,1008 0.218,1009 9.019,1010 11.245,1012 17.835,1013 8.37,1014 13.293,1015 -0.587,1016 16.409,1017 -0.77,1018 10.27,1019 12.846,1020 0.011,1021 20.383,1022 9.589,1023 3.408,1024 -0.647,1025 18.312,1026 -1.517,1027 11.36,1028 14.242,1030 22.841,1031 10.563,1032 2.891,1033 12.554,1034 20.231,1035 -1.712,1036 12.568,1037 15.791,1038 0.003,1039 25.368,1040 11.713,1041 2.691,1042 9.233,1043 22.163,1044 4.718,1045 13.721,1046 17.26,1048 27.869,1049 12.763,1050 2.48,1051 8.037,1052 24.105,1053 3.907,1054 14.921,1055 18.795,1056 0.001,1057 30.394,1058 13.89,1059 2.077,1060 6.988,1061 26.056,1062 3.705,1063 16.105,1064 20.3,1066 32.911,1067 14.976,1068 1.664,1069 5.72,1070 28.014,1071 3.456,1072 17.308,1073 21.835,1075 35.437,1076 16.097,1077 1.42,1078 4.976,1079 29.978,1080 2.76,1081 18.508,1082 23.36,1084 37.962,1085 17.202,1086 6473,1087 13813,1088 17.394,1089 27.96,1090 40.733,1091 42.391,1092 41.484,1093 40.796,1094 40.49,1095 55.758,1096 1.043,1097 119.783,1098 36.488,1099 5.722,1100 6.688,1101 6.93,1102 5.4,1103 5.408,1104 7.718,1105 1.043,1106 20.02,1107 5.113,1108 13.803,1109 1.509,1110 1.57,1111 1.536,1112 1.511,1113 1.5,1114 2.065,1115 0.039,1116 4.436,1117 1.351,1118 4.101,1119 4.094,1120 4.74,1121 4.084,1122 7.717,1123 4.006,1124 3.942,1125 3.975,1126 4.057,1127 3.862,1128 6.999,1129 3.853,1130 3.781,1131 3.83,1132 4.005,1133 3.578,1134 5.113,1135 3.592,1136 3.602,1137 3.566,1138 3.804,1139 3.53,1140 5.031,1141 3.468,1142 3.067,1143 3.126,1144 3.4,1145 2.941,1146 4.924,1147 2.931,1148 2.88,1149 2.925,1150 3.343,1151 2.795,1152 4.49,1153 2.768,1154 2.868,1155 2.921,1156 3.097,1157 2.743,1158 4.339,1159 2.732,1160 2.658,1161 2.692,1162 2.741,1163 2.552,1164 4.179,1165 2.52,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.866,1172 0.175,1173 4.688,1174 0.019,1175 7.316,1176 0.465,1177 4.328,1178 0.115,1179 3.408,1180 4.718,1181 0.522,1182 12.554,1183 3.113,1184 1.976,1185 1.985,1186 2.002,1187 2.052,1188 1.218,1189 2.079,1190 1.882,1191 1.866,1192 1.905,1193 1.948,1194 1.126,1195 1.968,1196 1.487,1197 1.465,1198 1.631,1199 1.719,1200 0.778,1201 1.706,1202 1.407,1203 1.409,1204 1.222,1205 1.54,1206 0.542,1207 1.581,1208 1.078,1209 0.982,1210 1.219,1211 1.442,1212 0.245,1213 1.379,1214 0.905,1215 0.858,1216 1.138,1217 1.074,1218 0.18,1219 1.11,1220 0.869,1221 0.824,1222 1.102,1223 1.034,1224 0.145,1225 1.068,1226 0.854,1227 0.806,1228 0.951,1229 1.005,1230 0.02,1231 1.044,1232 4.007,1233 5.352,1234 2.398,1235 6.874,1236 4.443,1237 8.479,1238 6.26,1239 10.127,1242 17.764,1247 0.378,1248 2.535,1257 26.819,1258 74.705,1259 129.098,1260 151.853,1261 172.117,1262 176.117,1263 176.117,1264 55.981,1265 6.88,1266 76.88,1267 85.26,1268 17,1269 12.399,1270 4.322,1271 3.524,1272 41.539,1273 84,1274 83,1275 0.24,1276 180.355,1277 302.88,1278 431.827,1279 8221,1280 8.3,1281 18.027,1282 0.721,1283 0.624,1284 19.777,1285 15.61,1286 11.848,1287 0.439,1288 0.354,1289 7.056,1290 9.795,1291 6.693,1292 5.508,1293 13.535,1294 9.554,1295 11.482,1296 0.294,1297 0.206,1298 13.932,1299 8.05,1300 9.005,1301 0.188,1302 0.118,1303 11.259,1304 5.674,1305 6.896,1306 0.117,1307 0.064,1308 8.573,1309 3.782,1310 5.381,1311 0.075,1312 0.041,1313 7.309,1314 2.939,1315 0.368,1316 91.82,1317 0.24,1318 24.006,1319 0.682,1320 132,1321 472.21,1322 226.434,1323 568.051,1324 728.84,1325 518,1326 153,1327 433.266,1328 247.018,1329 504.788,1330 727.6,1331 469,1332 5.6}
{0 CHEMBL2207083,1 2.075,2 9.4,3 4.333,4 18.772,5 101.488,6 11.603,7 0.63,8 3.733,9 3.803,10 3.808,11 3.404,12 4.924,13 3.368,14 4.23,15 4.332,16 4.147,17 3.787,18 5.711,19 3.74,20 4.431,21 4.547,22 4.275,23 3.92,24 5.763,25 3.817,26 4.484,27 4.639,28 4.185,29 3.829,30 5.794,31 3.731,32 4.443,33 4.593,34 4.295,35 3.777,36 5.877,37 3.72,38 4.401,39 4.519,40 4.205,41 3.735,42 5.995,43 3.7,44 4.26,45 4.411,46 3.979,47 3.686,48 5.605,49 3.591,50 4.198,51 4.361,52 3.926,53 3.56,54 5.595,55 3.466,56 0.175,57 0.559,58 2.42,59 3.016,60 20.111,61 2.51,62 0.473,63 0.857,64 4.818,65 4.818,66 50.851,67 4.274,68 0.59,69 0.941,70 18.569,71 7.397,72 54.789,73 6.578,74 0.709,75 0.999,76 23.985,77 8.352,78 74.449,79 7.117,80 0.776,81 0.943,82 30.123,83 8.457,84 98.239,85 7.025,86 0.901,87 0.862,88 16.979,89 6.56,90 101.595,91 5.215,92 0.511,93 0.78,94 11.375,95 5.989,96 49.119,97 6.112,98 0.576,99 0.631,100 18.916,101 6.14,102 56.969,103 6.468,104 26,105 39,106 0.371,107 0.66,108 0.783,109 0.884,110 0.903,111 0.903,112 3.267,113 1.062,114 -5.15,115 -5.04,116 -4.72,119 41.7,125 1,138 6,139 1,140 5,144 1,153 1,159 1,163 3,165 3,166 1,169 2,171 2,172 8,176 6,181 3,183 7,187 10,190 1,192 3,194 2,198 7,201 1,203 1,205 4,208 2,209 9,212 1,214 1,217 4,220 2,221 3,227 7,230 2,231 4,238 5,242 4,249 3,252 922,253 16.264,254 16.264,255 16.264,256 16.264,257 16.264,258 13.775,259 16.356,260 9.418,261 16.969,262 13.311,263 13.311,264 13.311,265 13.311,266 13.311,267 9.625,268 18.973,269 4.5,270 14.651,271 3.095,272 1.473,273 0.785,274 0.222,275 0.111,276 0.111,277 3.94,279 3,282 1,283 1,284 498,285 3.391,287 67.782,288 173.258,295 1.376,296 37.226,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 55,308 235,309 4.866,310 4.688,311 7.316,312 4.328,313 3.408,314 4.718,315 0.522,316 12.554,317 3.113,318 4.261,319 3.278,320 6.189,321 3.853,322 2.891,323 3.907,325 9.233,326 2.771,327 4.094,328 3.154,329 5.892,330 3.565,331 2.691,332 3.705,334 8.037,335 2.313,336 3.888,337 2.797,338 5.356,339 3.405,340 2.48,341 3.456,343 6.988,344 2.253,345 3.439,346 2.461,347 4.938,348 2.96,349 2.077,350 2.76,352 5.72,353 1.745,354 3.106,355 2.152,356 4.843,357 2.619,358 1.664,359 2.33,361 4.976,362 1.541,363 2.86,364 1.866,365 4.265,366 2.391,367 1.42,368 1.99,370 3.909,371 1.359,372 2.819,373 1.542,374 4.039,375 2.304,376 1.414,377 1.945,379 3.51,380 1.194,381 2.579,382 1.223,383 3.431,384 2.068,385 1.149,386 1.612,388 2.548,389 1.049,390 2.118,391 0.789,392 3.25,393 1.532,394 0.618,395 0.927,397 1.372,398 0.564,399 1.614,400 0.676,401 3,402 1.269,403 0.332,404 0.409,406 0.825,407 0.294,408 1.369,409 0.618,410 2.832,411 0.837,412 0.099,413 0.12,415 0.218,416 0.059,417 1.033,418 0.265,419 2.664,420 0.656,421 -0.266,422 -0.326,424 -0.77,425 -0.215,426 1,427 0.043,428 2.375,429 0.26,430 -0.587,431 -0.715,433 -1.517,434 -0.433,435 0.743,436 -0.242,437 2.35,438 0.226,439 -0.647,440 -0.841,442 -1.712,443 -0.455,444 12.743,445 0.51,446 0.824,447 0.033,448 35.75,449 1.43,450 19.5,451 0.78,452 16.25,453 0.65,454 18.811,455 0.752,456 26.257,457 0.729,458 26.381,459 1.055,460 6.923,461 0.277,462 4.925,463 0.197,464 0.22,465 0.065,466 0.267,472 0.532,473 1.283,474 0.578,475 1.018,476 0.657,477 0.757,478 0.694,479 0.961,480 0.69,481 0.741,482 0.582,483 0.773,484 1.075,485 1.183,486 1.064,487 1.151,488 0.99,489 1.16,490 1.214,491 1.059,492 0.969,493 1.067,494 1.301,495 1.059,496 1.075,497 0.982,498 0.75,499 0.986,500 1.343,501 0.803,502 1.016,503 0.874,504 0.947,505 1.024,506 1.371,507 1.02,508 0.79,509 1.028,510 0.821,511 0.942,512 0.804,513 1.051,514 1.052,515 0.92,516 1.118,517 0.894,518 0.932,519 0.97,520 7,521 0.087,522 3.556,523 1.847,524 1.862,525 0.965,526 0.612,527 0.476,528 0.309,529 0.146,530 6590,531 29121,532 2.005,533 30.6,535 8,537 2,538 1,542 1.685,543 1.84,544 3.219,545 -0.159,547 1,550 74.705,551 2.075,552 3.697,553 4.385,554 4.948,555 5.059,556 5.059,557 2.661,558 4.404,559 4.616,560 3.36,561 1007.99,562 8.009,563 12101.1,565 1,567 1,568 186.117,569 1.673,570 4.546,571 0.259,572 0.008,573 0.091,574 0.05,575 0.055,576 0.026,577 0.017,578 0.016,579 0.012,580 0.009,581 0.543,582 0.17,583 1,584 0.65,585 119.388,586 0.059,587 -0.122,588 0.059,589 -0.124,590 -0.142,591 -0.003,592 0.096,593 0.157,594 -0.029,595 0.099,596 0.211,597 0.008,598 -0.181,599 -0.199,600 -0.118,601 -0.15,602 -0.081,603 -0.218,604 -0.214,605 -0.048,606 -0.051,607 -0.004,608 -0.164,609 -0.049,610 0.009,611 0.022,612 0.171,613 0.102,614 -0.023,615 0.217,616 0.157,617 0.098,618 -0.07,619 -0.114,620 0.012,621 -0.129,622 0.048,623 -0.074,624 0.018,625 -0.013,626 0.032,627 -0.051,628 -0.025,629 -0.066,630 -0.026,631 0.055,632 0.031,633 0.104,634 4.784,635 5.64,636 0.68,637 19.946,638 1.042,639 1.118,640 3.918,641 15.349,642 0.777,643 3.332,644 3.689,645 3.892,646 4.094,647 4.29,648 4.331,649 4.344,650 4.357,651 4.369,652 4.369,653 5.722,654 0.745,655 417.72,656 3.332,657 4.89,658 5.727,659 6.611,660 7.469,661 8.354,662 9.221,663 10.107,664 10.978,665 11.864,666 11.1,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 3,703 36,705 19,706 2,707 27,709 38,710 15,711 14,712 6,713 6,717 3,718 3,719 3,729 14,730 1,733 2,736 1,737 2,744 1,747 11,748 5,749 1,750 10,751 4,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 3,805 25,808 1,810 1,811 1,822 1,824 3,825 5.6,828 2,832 13.583,833 6.445,834 5.347,835 1.854,836 2.998,837 1.436,838 1.002,839 5.437,840 9.879,841 3.651,842 4.321,843 4.803,844 5.322,845 5.77,846 5.963,847 6.188,848 6.405,849 6.671,850 6.957,851 1,852 37,853 9.451,854 4.337,855 8.11,856 16.895,857 13.82,859 2.61,860 65.25,864 117.711,865 100.003,866 51.63,867 117.446,868 44.313,870 5.807,871 94.195,872 279.47,873 51.63,875 2.106,876 62.665,877 126.327,878 28.39,880 94.169,881 117.446,882 117.711,883 145.825,884 44.313,885 123.253,887 117.711,888 44.313,891 21.119,892 74.852,893 173.107,895 117.711,896 95.943,897 217.449,899 5.807,900 117.711,901 20.101,902 75.871,903 16.405,904 195.207,905 117.711,906 95.943,907 217.449,909 0.596,910 0.336,911 0.165,912 0.092,913 19,914 9,915 0.132,916 5,918 1,919 3.596,920 205.845,922 17,923 114.096,927 1,928 18.327,929 7.416,930 4.387,932 94.166,933 11.935,934 7.88,938 1.837,939 1.57,940 16.405,941 431.103,942 37.5,945 -3.868,946 25.281,952 37.527,953 40.24,954 0.401,955 0.715,956 0.848,957 0.957,958 0.979,959 0.979,960 4.892,961 1.414,962 5.765,963 3.909,964 4.369,965 5.007,966 0.434,967 6.611,968 4.188,969 6.158,970 1.149,971 7.361,972 3.51,973 4.205,974 5.121,976 7.811,977 3.856,978 7.519,979 0.618,980 9.069,981 2.548,982 6.057,983 7.343,984 0.138,985 10.823,986 5.719,987 8.921,988 0.332,989 10.846,990 1.372,991 6.673,992 8.245,994 12.852,995 6.177,996 10.356,997 0.099,998 12.669,999 0.825,1000 8.072,1001 10.003,1002 0.039,1003 15.493,1004 7.572,1005 11.815,1006 -0.266,1007 14.526,1008 0.218,1009 9.019,1010 11.245,1012 17.835,1013 8.383,1014 13.293,1015 -0.587,1016 16.409,1017 -0.77,1018 10.27,1019 12.846,1020 0.011,1021 20.383,1022 9.6,1023 3.408,1024 -0.647,1025 18.312,1026 -1.517,1027 11.36,1028 14.242,1030 22.841,1031 10.574,1032 2.891,1033 12.554,1034 20.231,1035 -1.712,1036 12.568,1037 15.791,1038 0.003,1039 25.368,1040 11.723,1041 2.691,1042 9.233,1043 22.163,1044 4.718,1045 13.721,1046 17.26,1048 27.869,1049 12.773,1050 2.48,1051 8.037,1052 24.105,1053 3.907,1054 14.921,1055 18.795,1056 0.001,1057 30.394,1058 13.898,1059 2.077,1060 6.988,1061 26.056,1062 3.705,1063 16.105,1064 20.3,1066 32.911,1067 14.985,1068 1.664,1069 5.72,1070 28.014,1071 3.456,1072 17.308,1073 21.835,1075 35.437,1076 16.104,1077 1.42,1078 4.976,1079 29.978,1080 2.76,1081 18.508,1082 23.36,1084 37.962,1085 17.209,1086 6473,1087 13773,1088 17.394,1089 27.96,1090 40.733,1091 42.391,1092 41.484,1093 40.787,1094 40.49,1095 55.758,1096 1.043,1097 119.783,1098 36.513,1099 5.722,1100 6.688,1101 6.93,1102 5.4,1103 5.408,1104 7.718,1105 1.043,1106 20.02,1107 5.113,1108 13.803,1109 1.509,1110 1.57,1111 1.536,1112 1.511,1113 1.5,1114 2.065,1115 0.039,1116 4.436,1117 1.352,1118 4.1,1119 4.093,1120 4.74,1121 4.083,1122 7.717,1123 4.005,1124 3.938,1125 3.973,1126 4.057,1127 3.858,1128 6.999,1129 3.85,1130 3.779,1131 3.83,1132 4.004,1133 3.572,1134 5.088,1135 3.579,1136 3.602,1137 3.566,1138 3.8,1139 3.518,1140 5.03,1141 3.468,1142 3.089,1143 3.146,1144 3.4,1145 2.97,1146 4.921,1147 2.957,1148 2.88,1149 2.925,1150 3.346,1151 2.795,1152 4.49,1153 2.768,1154 2.868,1155 2.921,1156 3.097,1157 2.743,1158 4.333,1159 2.732,1160 2.663,1161 2.702,1162 2.743,1163 2.555,1164 4.178,1165 2.524,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.866,1172 0.175,1173 4.688,1174 0.019,1175 7.316,1176 0.465,1177 4.328,1178 0.115,1179 3.408,1180 4.718,1181 0.522,1182 12.554,1183 3.113,1184 1.976,1185 1.984,1186 1.997,1187 2.051,1188 1.213,1189 2.078,1190 1.88,1191 1.864,1192 1.905,1193 1.946,1194 1.122,1195 1.965,1196 1.435,1197 1.461,1198 1.576,1199 1.7,1200 0.729,1201 1.674,1202 1.399,1203 1.347,1204 1.37,1205 1.54,1206 0.541,1207 1.579,1208 1.209,1209 1.129,1210 1.222,1211 1.494,1212 0.24,1213 1.463,1214 0.87,1215 0.824,1216 1.104,1217 1.052,1218 0.181,1219 1.08,1220 0.866,1221 0.811,1222 1.064,1223 1.033,1224 0.148,1225 1.064,1226 0.844,1227 0.799,1228 0.946,1229 1.004,1230 0.078,1231 1.04,1232 4.007,1233 5.352,1234 2.398,1235 6.874,1236 4.443,1237 8.479,1238 6.26,1239 10.127,1242 17.758,1247 0.33,1248 2.528,1257 26.819,1258 74.705,1259 133.098,1260 157.853,1261 178.117,1262 182.117,1263 182.117,1264 55.903,1265 6.88,1266 76.88,1267 85.26,1268 17,1269 12.399,1270 4.322,1271 3.524,1272 41.539,1273 84,1274 83,1275 0.24,1276 180.355,1277 302.88,1278 431.827,1279 8221,1280 8.3,1281 18.027,1282 0.721,1283 0.624,1284 19.777,1285 15.61,1286 11.848,1287 0.439,1288 0.354,1289 7.056,1290 9.798,1291 6.694,1292 5.505,1293 13.535,1294 9.554,1295 11.482,1296 0.294,1297 0.205,1298 13.932,1299 8.009,1300 9.005,1301 0.188,1302 0.118,1303 11.259,1304 5.654,1305 6.896,1306 0.117,1307 0.064,1308 8.573,1309 3.771,1310 5.381,1311 0.075,1312 0.041,1313 7.309,1314 2.926,1315 0.368,1316 91.774,1317 0.24,1318 24.006,1319 0.682,1320 132,1321 472.21,1322 226.767,1323 567.557,1324 728.92,1325 518,1326 153,1327 433.266,1328 247.212,1329 504.274,1330 728.54,1331 469,1332 6.2}
{0 CHEMBL2207085,1 2.09,2 9.5,3 4.402,4 19.381,5 106.912,6 11.388,7 0.607,8 3.787,9 3.867,10 3.84,11 3.434,12 4.993,13 3.398,14 4.283,15 4.396,16 4.184,17 3.82,18 5.738,19 3.775,20 4.485,21 4.608,22 4.322,23 3.963,24 5.821,25 3.872,26 4.569,27 4.73,28 4.212,29 3.89,30 5.867,31 3.793,32 4.508,33 4.672,34 4.325,35 3.825,36 5.913,37 3.763,38 4.456,39 4.577,40 4.255,41 3.782,42 6.033,43 3.764,44 4.383,45 4.548,46 4.078,47 3.753,48 5.692,49 3.662,50 4.338,51 4.515,52 4.069,53 3.666,54 5.762,55 3.568,56 0.2,57 0.615,58 3.006,59 3.245,60 21.638,61 2.858,62 0.498,63 0.912,64 7.323,65 5.478,66 52.891,67 5.412,68 0.632,69 1.019,70 19.866,71 7.659,72 56.536,73 6.687,74 0.77,75 1.088,76 23.67,77 8.505,78 78.698,79 6.92,80 0.824,81 0.987,82 32.876,83 9.133,84 104.008,85 8.201,86 0.891,87 0.943,88 17.353,89 6.572,90 105.569,91 5.047,92 0.637,93 0.904,94 11.64,95 6.159,96 50.902,97 6.255,98 0.654,99 0.726,100 24.624,101 7.612,102 65.099,103 8.459,104 37,105 41,106 0.369,107 0.676,108 0.774,109 0.868,110 0.887,111 0.887,112 3.305,113 1.056,114 -5.2,115 -5.09,116 -4.77,119 39.5,121 1,124 1,138 6,139 1,140 5,154 1,159 3,163 4,165 4,166 2,169 2,171 2,172 9,176 8,181 4,183 9,187 10,192 3,194 2,198 12,201 2,203 1,205 5,209 10,212 2,214 1,217 6,220 4,221 2,227 8,230 4,231 6,238 6,242 6,249 4,252 1036,253 16.764,254 16.764,255 16.764,256 16.764,257 16.764,258 14.222,259 16.581,260 9.561,261 17.403,262 13.772,263 13.772,264 13.772,265 13.772,266 13.772,267 10.01,268 16.716,269 4.533,270 15.018,271 3.158,272 1.425,273 0.869,274 0.336,275 0.23,276 0.23,277 3.975,279 3,282 1,283 1,284 521,285 3.464,287 71.082,288 179.551,295 1.423,296 38.279,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 57.5,308 247,309 4.866,310 4.688,311 7.316,312 4.329,313 3.409,314 4.718,315 0.68,316 12.554,317 3.115,318 4.3,319 3.279,320 6.238,321 3.902,322 2.941,323 3.943,325 9.376,326 2.819,327 4.129,328 3.211,329 5.969,330 3.664,331 2.736,332 3.763,334 8.388,335 2.556,336 4.078,337 2.947,338 5.887,339 3.551,340 2.663,341 3.696,343 8.017,344 2.271,345 3.454,346 2.62,347 4.958,348 2.989,349 2.105,350 2.771,352 5.804,353 1.779,354 3.108,355 2.153,356 4.869,357 2.638,358 1.681,359 2.332,361 5.035,362 1.564,363 2.871,364 1.934,365 4.347,366 2.42,367 1.447,368 2,370 4.078,371 1.379,372 2.819,373 1.614,374 4.042,375 2.304,376 1.414,377 1.946,379 3.512,380 1.195,381 2.612,382 1.377,383 3.996,384 2.193,385 1.229,386 1.651,388 3.258,389 1.177,390 2.551,391 1.166,392 3.416,393 2.084,394 1.104,395 1.572,397 2.386,398 1.079,399 1.625,400 0.789,401 3.256,402 1.281,403 0.34,404 0.421,406 0.85,407 0.303,408 1.369,409 0.676,410 2.919,411 0.84,412 0.1,413 0.121,415 0.22,416 0.06,417 1.05,418 0.265,419 2.7,420 0.699,421 -0.245,422 -0.301,424 -0.7,425 -0.209,426 1,427 0.058,428 2.375,429 0.446,430 -0.437,431 -0.529,433 -1.024,434 -0.343,435 0.827,436 -0.117,437 2.351,438 0.226,439 -0.647,440 -0.84,442 -1.711,443 -0.438,444 13.143,445 0.505,446 0.913,447 0.035,448 35.75,449 1.375,450 19.5,451 0.75,452 16.25,453 0.625,454 21.001,455 0.808,456 27.657,457 0.728,458 27.397,459 1.054,460 6.98,461 0.268,462 5.279,463 0.203,464 0.252,465 0.063,466 0.297,472 0.469,473 1.083,474 0.576,475 0.993,476 0.64,477 0.766,478 0.599,479 0.969,480 0.642,481 0.754,482 0.54,483 0.754,484 1.112,485 1.151,486 1.052,487 1.095,488 0.997,489 1.092,490 1.283,491 1.083,492 0.997,493 1.068,494 1.32,495 1.119,496 0.99,497 0.943,498 0.711,499 0.944,500 1.281,501 0.775,502 1.159,503 0.983,504 0.947,505 1.037,506 1.376,507 0.997,508 0.72,509 0.969,510 0.781,511 0.891,512 0.819,513 1.062,514 0.736,515 0.977,516 1.041,517 1.024,518 0.67,519 0.951,520 7.5,521 0.111,522 4.222,523 2.069,524 1.942,525 1.132,526 0.633,527 0.597,528 0.358,529 0.166,530 7221,531 32056,532 1.983,533 31.6,535 9,538 1,539 2,542 1.696,543 1.803,544 3.226,545 -0.142,547 1,550 79.434,551 2.09,552 3.823,553 4.379,554 4.912,555 5.018,556 5.018,557 2.669,558 4.316,559 4.674,560 3.389,561 1101.32,562 8.124,563 13608.2,565 1,567 1,568 199.421,569 1.717,570 4.592,571 0.268,572 0.009,573 0.103,574 0.052,575 0.055,576 0.029,577 0.017,578 0.019,579 0.012,580 0.009,581 0.572,582 0.17,583 1,584 0.669,585 125.837,586 0.135,587 0.12,588 0.064,589 -0.075,590 -0.118,591 0.009,592 0.182,593 0.127,594 0.04,595 0.12,596 0.252,597 0.084,598 -0.22,599 -0.134,600 -0.121,601 -0.099,602 -0.092,603 -0.167,604 -0.303,605 -0.059,606 -0.114,607 -0.042,608 -0.213,609 -0.148,610 0.068,611 0.023,612 0.217,613 0.144,614 0.015,615 0.27,616 -0.009,617 0.006,618 -0.094,619 -0.149,620 -0.012,621 -0.137,622 0.121,623 0.031,624 0.024,625 0.008,626 -0.022,627 -0.098,628 0.24,629 -0.118,630 0.079,631 0.012,632 0.256,633 0.171,634 4.808,635 5.697,636 0.654,637 21.065,638 1.043,639 1.125,640 3.971,641 15.766,642 0.762,643 3.367,644 3.738,645 3.951,646 4.143,647 4.344,648 4.382,649 4.394,650 4.466,651 4.454,652 4.443,653 5.853,654 0.733,655 432.74,656 3.367,657 4.934,658 5.778,659 6.666,660 7.53,661 8.418,662 9.289,663 10.178,664 11.053,665 11.942,666 13.2,671 1,674 1,676 3,681 6,682 3,686 7,687 1,688 17,702 3,703 38,705 19,706 2,707 28,709 40,710 15,711 13,712 6,713 6,717 3,718 3,719 3,727 1,729 13,730 2,733 2,736 1,737 2,744 1,747 12,748 6,749 1,750 11,751 4,755 5,760 1,761 2,775 1,776 2,796 3,799 1,801 1,802 3,805 26,808 1,810 1,811 1,824 3,825 5.3,828 2,832 14.417,833 7.229,834 5.542,835 1.992,836 3.072,837 1.439,838 0.99,839 5.626,840 10.064,841 3.676,842 4.36,843 4.851,844 5.362,845 5.815,846 5.998,847 6.223,848 6.487,849 6.744,850 7.015,851 1,852 40,853 9.817,854 4.492,855 8.112,856 17.54,857 14.312,859 2.612,860 67.917,864 129.482,865 93.919,866 67.926,867 117.446,868 44.313,870 5.807,871 88.111,872 291.241,873 67.926,874 8.396,875 2.535,876 62.665,877 112.79,878 19.771,880 129.482,881 117.446,882 129.482,883 156.037,884 44.313,885 123.253,887 129.482,888 44.313,891 6.639,892 83.249,893 189.402,895 129.482,896 112.238,897 211.365,899 5.807,900 129.482,901 22.857,902 67.03,903 16.405,904 211.503,905 129.482,906 112.238,907 211.365,909 0.602,910 0.343,911 0.164,912 0.092,913 20,914 10,915 0.125,916 5,918 1,919 3.637,920 218.578,922 17,923 120.211,927 1,928 19.235,929 7.605,930 4.428,932 110.462,933 8.968,934 11.25,938 2.342,939 1.506,940 16.405,941 453.085,942 38.5,945 -3.891,946 25.393,952 39.629,953 42.738,954 0.398,955 0.729,956 0.834,957 0.936,958 0.956,959 0.956,960 4.929,961 1.414,962 5.826,963 4.078,964 4.419,965 5.047,966 0.655,967 6.683,968 4.255,969 6.203,970 1.229,971 7.433,972 3.512,973 4.29,974 5.198,976 7.888,977 3.954,978 7.571,979 1.104,980 9.15,981 3.258,982 6.12,983 7.394,984 0.356,985 10.901,986 5.808,987 8.978,988 0.34,989 10.932,990 2.386,991 6.758,992 8.317,994 12.917,995 6.283,996 10.417,997 0.1,998 12.757,999 0.85,1000 8.148,1001 10.064,1002 0.18,1003 15.552,1004 7.677,1005 11.88,1006 -0.245,1007 14.613,1008 0.22,1009 9.102,1010 11.314,1012 17.88,1013 8.494,1014 13.36,1015 -0.437,1016 16.492,1017 -0.7,1018 10.347,1019 12.907,1020 0.087,1021 20.42,1022 9.709,1023 3.409,1024 -0.647,1025 18.391,1026 -1.024,1027 11.436,1028 14.302,1030 22.868,1031 10.682,1032 2.941,1033 12.554,1034 20.304,1035 -1.711,1036 12.637,1037 15.844,1038 0.041,1039 25.389,1040 11.828,1041 2.736,1042 9.376,1043 22.229,1044 4.718,1045 13.787,1046 17.309,1048 27.884,1049 12.873,1050 2.663,1051 8.388,1052 24.165,1053 3.943,1054 14.98,1055 18.838,1056 0.019,1057 30.405,1058 13.994,1059 2.105,1060 8.017,1061 26.11,1062 3.763,1063 16.159,1064 20.339,1066 32.92,1067 15.075,1068 1.681,1069 5.804,1070 28.061,1071 3.696,1072 17.357,1073 21.868,1074 0.009,1075 35.444,1076 16.19,1077 1.447,1078 5.035,1079 30.019,1080 2.771,1081 18.552,1082 23.389,1084 37.967,1085 17.289,1086 7127,1087 15200,1088 17.8,1089 28.966,1090 42.576,1091 44.513,1092 44.158,1093 42.677,1094 42.337,1095 57.865,1096 1.36,1097 126.961,1098 38.589,1099 5.724,1100 6.688,1101 6.835,1102 5.394,1103 5.409,1104 7.718,1105 1.36,1106 20.021,1107 5.115,1108 15.646,1109 1.521,1110 1.59,1111 1.577,1112 1.524,1113 1.512,1114 2.067,1115 0.049,1116 4.534,1117 1.378,1118 4.1,1119 4.092,1120 4.74,1121 4.084,1122 7.717,1123 4.006,1124 3.938,1125 3.976,1126 4.057,1127 3.863,1128 6.999,1129 3.853,1130 3.79,1131 3.845,1132 4.005,1133 3.572,1134 5.22,1135 3.573,1136 3.603,1137 3.567,1138 3.82,1139 3.51,1140 5.031,1141 3.467,1142 3.121,1143 3.197,1144 3.4,1145 2.977,1146 4.926,1147 2.963,1148 2.931,1149 3.037,1150 3.353,1151 2.795,1152 4.49,1153 2.768,1154 2.88,1155 2.925,1156 3.097,1157 2.743,1158 4.337,1159 2.733,1160 2.868,1161 2.921,1162 2.767,1163 2.65,1164 4.178,1165 2.649,1166 0.174,1167 0.167,1168 0.261,1169 0.155,1170 0.122,1171 4.866,1172 0.169,1173 4.688,1174 0.024,1175 7.316,1176 0.448,1177 4.329,1178 0.111,1179 3.409,1180 4.718,1181 0.68,1182 12.554,1183 3.115,1184 1.977,1185 1.985,1186 2.002,1187 2.047,1188 1.222,1189 2.076,1190 1.883,1191 1.868,1192 1.905,1193 1.945,1194 1.128,1195 1.965,1196 1.528,1197 1.474,1198 1.722,1199 1.791,1200 0.826,1201 1.774,1202 1.409,1203 1.439,1204 1.449,1205 1.547,1206 0.601,1207 1.588,1208 1.177,1209 1.09,1210 1.222,1211 1.467,1212 0.541,1213 1.444,1214 0.869,1215 0.824,1216 1.103,1217 1.166,1218 0.181,1219 1.119,1220 0.857,1221 0.807,1222 0.969,1223 1.035,1224 0.147,1225 1.07,1226 0.784,1227 0.71,1228 0.815,1229 1.006,1231 1.046,1232 4.043,1233 5.398,1234 2.398,1235 6.93,1236 4.595,1237 8.542,1238 6.529,1239 10.195,1241 1.699,1242 17.799,1247 0.319,1248 2.531,1257 27.84,1258 79.434,1259 145.282,1260 166.402,1261 186.666,1262 190.666,1263 190.666,1264 61.489,1265 6.991,1266 89.77,1267 98.15,1268 17,1269 12.474,1270 4.322,1271 3.524,1272 44.094,1273 89,1274 90,1275 0.239,1276 187.15,1277 313.88,1278 448.405,1279 9524,1280 7.9,1281 18.897,1282 0.727,1283 0.631,1284 20.647,1285 16.403,1286 12.259,1287 0.438,1288 0.352,1289 7.344,1290 10.141,1291 6.936,1292 5.723,1293 13.946,1294 9.853,1295 12,1296 0.293,1297 0.203,1298 14.45,1299 8.312,1300 9.538,1301 0.187,1302 0.116,1303 11.793,1304 5.911,1305 7.183,1306 0.116,1307 0.062,1308 8.86,1309 3.866,1310 5.671,1311 0.075,1312 0.04,1313 7.599,1314 3.024,1315 0.367,1316 94.739,1317 0.237,1318 24.779,1319 0.679,1320 138,1321 499.855,1322 234.544,1323 594.544,1324 767.45,1325 542,1326 161,1327 471.796,1328 257.238,1329 539.859,1330 776.69,1331 502,1332 6.2}
{0 CHEMBL2207086,1 1.928,2 8.652,3 3.221,4 10.372,5 92.536,6 9.69,7 0.68,8 3.718,9 3.807,10 3.672,11 3.35,12 4.879,13 3.311,14 4.206,15 4.324,16 3.946,17 3.71,18 5.636,19 3.66,20 4.413,21 4.575,22 3.937,23 3.802,24 5.627,25 3.702,26 4.452,27 4.629,28 3.943,29 3.733,30 5.737,31 3.647,32 4.421,33 4.596,34 3.997,35 3.705,36 5.724,37 3.645,38 4.377,39 4.523,40 3.969,41 3.673,42 5.84,43 3.626,44 4.242,45 4.414,46 3.798,47 3.61,48 5.543,49 3.513,50 4.168,51 4.365,52 3.587,53 3.419,54 5.498,55 3.32,56 0.139,57 0.583,58 6.397,59 3.318,60 15.442,61 3.255,62 0.36,63 0.876,64 9.921,65 5.239,66 41.649,67 5.469,68 0.37,69 1.001,70 19.19,71 7.496,72 37.656,73 7.648,74 0.49,75 1.021,76 22.045,77 7.8,78 49.637,79 7.592,80 0.521,81 0.969,82 27.377,83 7.825,84 66.1,85 7.301,86 0.713,87 0.887,88 20.013,89 6.305,90 80.715,91 5.937,92 0.375,93 0.801,94 14.784,95 5.971,96 39.32,97 6.789,98 0.423,99 0.66,100 19.195,101 5.834,102 43.718,103 6.833,104 10,105 35,106 0.344,107 0.62,108 0.751,109 0.85,110 0.864,111 0.864,112 3.189,113 1.033,114 -3.59,115 -3.56,116 -3.39,119 41.7,125 1,138 8,139 1,140 3,141 1,147 1,159 2,163 6,165 2,166 1,169 2,171 2,172 9,176 6,181 3,183 4,187 12,190 1,192 4,194 1,198 7,201 1,203 1,205 4,208 2,209 7,212 1,217 6,220 2,221 3,227 8,230 2,231 5,238 5,242 5,249 2,252 761,253 15.317,254 15.317,255 15.317,256 15.317,257 15.317,258 12.905,259 14.189,260 9.16,261 15.728,262 12.376,263 12.376,264 12.376,265 12.376,266 12.376,267 8.834,268 17.601,269 4.398,270 13.105,271 3.242,272 1.701,273 0.965,274 0.41,275 0.333,276 0.333,277 3.865,279 1,281 1,282 1,283 1,284 425,285 3.24,287 61.558,288 156.576,295 1.233,296 29.11,298 1,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 50.333,308 199,309 4.858,310 4.686,311 7.311,312 4.32,313 3.399,314 4.707,315 0.522,316 12.53,317 3.11,318 4.254,319 3.156,320 6.186,321 3.847,322 2.881,323 3.899,325 9.221,326 2.771,327 3.889,328 2.797,329 5.357,330 3.425,331 2.484,332 3.456,334 6.996,335 2.335,336 3.557,337 2.464,338 4.957,339 3.041,340 2.101,341 3.052,343 5.736,344 2.023,345 3.43,346 2.04,347 4.901,348 2.944,349 2,350 2.753,352 5.375,353 1.749,354 2.882,355 1.704,356 4.282,357 2.474,358 1.5,359 2.022,361 3.994,362 1.455,363 2.688,364 1.281,365 3.621,366 2.165,367 1.177,368 1.751,370 2.732,371 1.16,372 2.579,373 1.208,374 3.431,375 2.092,376 1.145,377 1.612,379 2.548,380 1.076,381 2.5,382 1,383 3.247,384 2,385 1,386 1.5,388 2.136,389 1,390 2.118,391 0.684,392 3.121,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.613,400 0.618,401 3,402 1.266,403 0.326,404 0.404,406 0.811,407 0.291,408 1.033,409 0.243,410 2.763,411 0.669,412 -0.259,413 -0.316,415 -0.751,416 -0.211,417 1,418 0.002,419 2.521,420 0.262,421 -0.587,422 -0.715,424 -1.516,425 -0.449,426 0.735,427 -0.277,428 2.349,429 0.229,430 -0.73,431 -1.026,433 -1.646,434 -0.68,435 0.68,436 -0.933,437 2.109,439 -1,440 -1.393,442 -2.347,443 -1,444 11.314,445 0.492,446 0.628,447 0.027,448 33.75,449 1.467,450 19.5,451 0.848,452 14.25,453 0.62,454 14.777,455 0.642,456 24.086,457 0.669,458 24.281,459 1.056,460 6.718,461 0.292,462 4.325,463 0.188,464 0.122,465 0.074,466 0.212,472 0.443,473 1.126,474 0.664,475 1.111,476 0.64,477 0.834,478 0.638,479 1.12,480 0.779,481 0.936,482 0.558,483 0.936,484 1.083,485 1.137,486 1.136,487 1.146,488 0.984,489 1.114,490 1.253,491 1.07,492 1.094,493 1.127,494 1.274,495 1.027,496 1.421,497 0.958,498 1.001,499 0.987,500 1.559,501 0.797,502 1.328,503 0.849,504 1.136,505 0.956,506 1.637,507 0.991,508 0.767,509 1.031,510 0.906,511 1.004,512 0.792,513 1.071,514 0.978,515 0.952,516 1.208,517 1.003,518 0.885,519 1.071,520 5.5,521 0.015,522 2.667,523 1.597,524 1.337,525 0.799,526 0.532,527 0.358,528 0.198,529 0.029,530 5340,531 18919,532 2.057,533 36.1,535 10,536 1,537 1,538 1,542 1.663,543 1.93,544 3.111,545 -0.198,546 1,547 1,548 1,550 69.408,551 1.928,552 3.469,553 4.205,554 4.76,555 4.837,556 4.837,557 2.496,558 3.969,559 4.496,560 3.243,561 820.437,562 7.771,563 9301.31,564 1,565 1,566 1,567 1,568 186.117,569 1.495,570 4.448,571 0.22,572 0.003,573 0.076,574 0.05,575 0.043,576 0.024,577 0.017,578 0.014,579 0.009,580 0.003,581 0.459,582 0.33,583 1,584 0.58,585 106.398,586 0.174,587 0.039,588 0.145,589 -0.089,590 -0.136,591 0.013,592 0.197,593 -0.031,594 -0.025,595 -0.025,596 0.249,597 -0.092,598 -0.184,599 -0.139,600 -0.143,601 -0.115,602 -0.079,603 -0.148,604 -0.161,605 -0.067,606 -0.075,607 -0.064,608 -0.078,609 -0.056,610 -0.213,611 0.03,612 0.055,613 0.102,614 -0.161,615 0.184,616 0.015,617 0.112,618 -0.111,619 -0.032,620 -0.143,621 -0.099,622 0.109,623 -0.086,624 0.041,625 -0.054,626 0.061,627 -0.089,628 0.073,629 -0.103,630 -0.044,631 -0.077,632 0.083,633 -0.035,634 4.602,635 5.479,636 0.739,637 16.873,638 1.024,639 1.121,640 2.357,641 5.555,642 0.729,643 3.258,644 3.584,645 3.784,646 4.007,647 4.159,648 4.159,649 4.234,650 4.248,651 4.205,652 4.159,653 5.35,654 0.699,655 348.84,656 3.258,657 4.796,658 5.624,659 6.5,660 7.349,661 8.229,662 9.087,663 9.968,664 10.831,665 11.713,666 11.1,671 1,674 1,676 2,681 10,682 2,686 4,687 1,688 17,702 1,703 36,705 19,706 2,707 25,709 38,710 15,711 14,712 4,713 8,717 3,718 3,719 1,729 14,730 1,733 2,736 1,737 2,743 1,744 1,747 13,748 5,749 1,750 8,751 2,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 1,805 23,808 1,810 1,811 1,822 1,824 1,825 5.6,828 2,832 11.917,833 6.326,834 4.986,835 1.905,836 2.952,837 1.442,838 1.006,839 4.55,840 9.635,841 3.597,842 4.238,843 4.713,844 5.242,845 5.643,846 5.76,847 6.088,848 6.339,849 6.565,850 6.82,851 0.833,852 32,853 8.686,854 3.93,855 8.008,856 15.774,857 12.877,859 2.508,860 57.694,864 141.253,865 112.812,866 51.385,867 39.149,868 44.313,870 5.807,871 107.004,872 224.715,873 51.385,875 2.106,876 90.665,877 105.693,878 21.818,879 11.771,880 117.711,881 39.149,882 141.253,883 158.389,884 44.313,885 44.956,887 141.253,888 44.313,891 12.93,892 95.851,893 94.565,895 141.253,896 95.698,897 151.96,899 5.807,900 141.253,901 13.099,902 95.681,903 16.405,904 116.665,905 141.253,906 95.698,907 151.96,909 0.583,910 0.326,911 0.172,912 0.091,913 17,914 7,915 0.132,916 5,918 1,919 3.494,920 181.946,922 17,923 98.042,927 1,928 15.841,929 6.605,930 3.838,932 93.921,933 16.456,934 7.622,938 1.779,939 1.601,940 16.405,941 388.912,942 35.5,945 -3.685,946 24.957,952 36.88,953 40.352,954 0.373,955 0.671,956 0.813,957 0.921,958 0.936,959 0.936,960 4.814,961 1.145,962 5.638,963 2.732,964 4.263,965 4.924,966 0.434,967 6.469,968 4.15,969 6.06,970 1,971 7.216,972 2.548,973 4.007,974 4.945,976 7.687,977 3.749,978 7.407,979 0.618,980 8.915,981 2.136,982 5.927,983 7.239,984 0.138,985 10.706,986 5.681,987 8.801,988 0.326,989 10.693,990 1.372,991 6.509,992 8.102,994 12.779,995 6.112,996 10.233,997 -0.259,998 12.525,999 0.811,1000 7.944,1001 9.897,1002 0.039,1003 15.422,1004 7.538,1005 11.692,1006 -0.587,1007 14.394,1008 -0.751,1009 8.885,1010 11.129,1012 17.79,1013 8.341,1014 13.173,1015 -0.73,1016 16.291,1017 -1.516,1018 10.157,1019 12.749,1020 0.011,1021 20.34,1022 9.572,1023 3.399,1024 -1,1025 18.208,1026 -1.646,1027 11.251,1028 14.147,1030 22.809,1031 10.544,1032 2.881,1033 12.53,1034 20.14,1035 -2.347,1036 12.471,1037 15.708,1038 0.003,1039 25.337,1040 11.701,1041 2.484,1042 9.221,1043 22.084,1044 4.707,1045 13.631,1046 17.182,1048 27.841,1049 12.75,1050 2.101,1051 6.996,1052 24.037,1053 3.899,1054 14.839,1055 18.725,1056 0.001,1057 30.366,1058 13.879,1059 2,1060 5.736,1061 25.998,1062 3.456,1063 16.028,1064 20.235,1066 32.883,1067 14.965,1068 1.5,1069 5.375,1070 27.964,1071 3.052,1072 17.236,1073 21.774,1075 35.408,1076 16.086,1077 1.177,1078 3.994,1079 29.934,1080 2.753,1081 18.439,1082 23.301,1084 37.931,1085 17.19,1086 5200,1087 9944,1088 16.583,1089 26.244,1090 37.499,1091 38.013,1092 37.231,1093 37.502,1094 37.26,1095 52.167,1096 1.043,1097 106.903,1098 35.157,1099 5.712,1100 6.686,1101 7.113,1102 5.374,1103 5.399,1104 7.707,1105 1.043,1106 19.932,1107 5.11,1108 9.829,1109 1.5,1110 1.521,1111 1.489,1112 1.5,1113 1.49,1114 2.087,1115 0.042,1116 4.276,1117 1.406,1118 4.097,1119 4.093,1120 4.737,1121 4.076,1122 7.717,1123 3.997,1124 3.936,1125 3.974,1126 4.007,1127 3.855,1128 6.999,1129 3.843,1130 3.779,1131 3.831,1132 3.802,1133 3.561,1134 5.116,1135 3.593,1136 3.588,1137 3.568,1138 3.674,1139 3.513,1140 4.924,1141 3.438,1142 3.091,1143 3.148,1144 3.342,1145 2.981,1146 4.715,1147 2.965,1148 2.865,1149 2.926,1150 2.753,1151 2.735,1152 4.329,1153 2.725,1154 2.854,1155 2.925,1156 2.687,1157 2.735,1158 3.839,1159 2.715,1160 2.635,1161 2.705,1162 2.68,1163 2.484,1164 3.674,1165 2.465,1166 0.194,1167 0.187,1168 0.292,1169 0.173,1170 0.136,1171 4.858,1172 0.188,1173 4.686,1174 0.021,1175 7.311,1176 0.501,1177 4.32,1178 0.124,1179 3.399,1180 4.707,1181 0.522,1182 12.53,1183 3.11,1184 1.98,1185 1.983,1186 2.01,1187 2.058,1188 1.214,1189 2.088,1190 1.885,1191 1.864,1192 1.98,1193 1.966,1194 1.123,1195 1.981,1196 1.478,1197 1.461,1198 1.632,1199 1.708,1200 0.759,1201 1.695,1202 1.417,1203 1.406,1204 1.379,1205 1.564,1206 0.576,1207 1.608,1208 1.192,1209 1.117,1210 1.245,1211 1.486,1212 0.426,1213 1.449,1214 0.886,1215 0.821,1216 1.181,1217 1.062,1218 0.218,1219 1.107,1220 0.863,1221 0.806,1222 1.085,1223 1.044,1224 0.185,1225 1.074,1226 0.788,1227 0.724,1228 0.923,1229 1.03,1231 1.03,1232 3.932,1233 5.252,1234 2.398,1235 6.758,1236 4.443,1237 8.348,1238 6.26,1239 9.984,1242 6.004,1247 0.379,1248 2.583,1257 25.164,1258 69.408,1259 124.898,1260 151.362,1261 171.362,1262 174.117,1263 174.117,1264 43.754,1265 6.683,1266 76.88,1267 85.26,1268 17,1269 12.252,1270 4.322,1271 3.524,1272 36.581,1273 71,1274 70,1275 0.246,1276 163.69,1277 272.46,1278 391.163,1279 6409,1280 2.8,1281 16.286,1282 0.708,1283 0.587,1284 17.036,1285 13.497,1286 11.044,1287 0.442,1288 0.344,1289 6.812,1290 9.559,1291 6.524,1292 5.413,1293 12.153,1294 8.61,1295 10.352,1296 0.296,1297 0.198,1298 12.061,1299 6.939,1300 8.012,1301 0.186,1302 0.111,1303 9.365,1304 4.791,1305 6.522,1306 0.121,1307 0.062,1308 7.796,1309 3.361,1310 4.888,1311 0.078,1312 0.038,1313 6.115,1314 2.394,1315 0.375,1316 80.596,1317 0.246,1318 22.341,1319 0.707,1320 120,1321 403.803,1322 183.673,1323 443.712,1324 587.04,1325 406,1326 138,1327 384.073,1328 205.038,1329 433.346,1330 620.59,1331 404,1332 5}
{0 CHEMBL2207087,1 2.014,2 9.333,3 3.885,4 15.092,5 97.341,6 10.647,7 0.654,8 3.726,9 3.806,10 3.743,11 3.38,12 4.905,13 3.341,14 4.216,15 4.323,16 4.051,17 3.751,18 5.673,19 3.702,20 4.429,21 4.573,22 4.051,23 3.853,24 5.688,25 3.753,26 4.463,27 4.627,28 4.006,29 3.768,30 5.772,31 3.679,32 4.425,33 4.596,34 4.128,35 3.739,36 5.715,37 3.67,38 4.393,39 4.521,40 4.158,41 3.706,42 5.977,43 3.673,44 4.251,45 4.413,46 3.865,47 3.642,48 5.57,49 3.544,50 4.178,51 4.364,52 3.735,53 3.474,54 5.536,55 3.378,56 0.158,57 0.572,58 4.452,59 3.183,60 17.289,61 2.902,62 0.404,63 0.86,64 7.357,65 5.083,66 43.283,67 4.966,68 0.484,69 0.979,70 19.111,71 7.561,72 45.401,73 7.134,74 0.599,75 1.009,76 22.345,77 8.032,78 57.958,79 7.231,80 0.603,81 0.963,82 28.954,83 8.168,84 77.93,85 7.103,86 0.855,87 0.871,88 18.968,89 6.466,90 95.239,91 5.546,92 0.444,93 0.791,94 13.693,95 6.018,96 42.855,97 6.446,98 0.488,99 0.651,100 18.743,101 5.996,102 47.384,103 6.695,104 17,105 37,106 0.36,107 0.645,108 0.753,109 0.84,110 0.864,111 0.864,112 3.229,113 1.049,114 -4.1,115 -4.04,116 -3.83,119 41.7,125 1,138 7,139 1,140 4,141 1,147 1,159 2,163 4,165 2,166 1,169 2,171 2,172 9,176 6,181 3,183 6,187 12,190 1,192 4,194 1,198 5,201 1,205 4,208 2,209 9,212 1,214 1,217 6,220 2,221 3,227 6,230 2,231 5,238 6,242 4,249 1,252 850,253 15.764,254 15.764,255 15.764,256 15.764,257 15.764,258 13.328,259 15.79,260 9.247,261 16.312,262 12.843,263 12.843,264 12.843,265 12.843,266 12.843,267 9.239,268 18.242,269 4.436,270 13.848,271 3.156,272 1.561,273 0.956,274 0.465,275 0.333,276 0.333,277 3.903,279 2,281 1,282 1,283 1,284 477,285 3.317,287 64.907,288 165.413,295 1.361,296 32.7,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 52.667,308 224,309 4.86,310 4.686,311 7.312,312 4.322,313 3.4,314 4.709,315 0.522,316 12.531,317 3.11,318 4.255,319 3.157,320 6.186,321 3.848,322 2.882,323 3.901,325 9.222,326 2.772,327 3.891,328 2.898,329 5.359,330 3.428,331 2.487,332 3.458,334 6.999,335 2.336,336 3.829,337 2.797,338 5.143,339 3.301,340 2.391,341 3.388,343 6.312,344 2.143,345 3.438,346 2.461,347 4.931,348 2.961,349 2.075,350 2.758,352 5.713,353 1.75,354 3.083,355 1.889,356 4.749,357 2.601,358 1.656,359 2.293,361 4.835,362 1.518,363 2.859,364 1.565,365 4.252,366 2.39,367 1.42,368 1.988,370 3.887,371 1.346,372 2.579,373 1.224,374 3.431,375 2.092,376 1.149,377 1.612,379 2.548,380 1.076,381 2.5,382 1,383 3.414,384 2,385 1,386 1.5,388 2.275,389 1,390 2.118,391 0.712,392 3.216,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.614,400 0.624,401 3,402 1.269,403 0.33,404 0.407,406 0.821,407 0.294,408 1.12,409 0.618,410 2.796,411 0.691,412 -0.179,413 -0.215,415 -0.418,416 -0.122,417 1.033,418 0.107,419 2.611,420 0.568,421 -0.303,422 -0.388,424 -0.825,425 -0.234,426 1,427 -0.159,428 2.349,429 0.262,430 -0.587,431 -0.716,433 -1.518,434 -0.451,435 0.68,436 -0.294,437 2.109,439 -1,440 -1.369,442 -3,443 -0.886,444 12.029,445 0.501,446 0.735,447 0.031,448 34.5,449 1.438,450 19.5,451 0.813,452 15,453 0.625,454 16.671,455 0.695,456 25.171,457 0.699,458 25.255,459 1.052,460 6.791,461 0.283,462 4.647,463 0.194,464 0.174,465 0.069,466 0.241,472 0.464,473 1.122,474 0.606,475 1.042,476 0.642,477 0.786,478 0.653,479 1.112,480 0.714,481 0.864,482 0.554,483 0.877,484 1.136,485 1.137,486 1.168,487 1.158,488 1.012,489 1.145,490 1.252,491 1.078,492 1.095,493 1.156,494 1.284,495 1.085,496 1.282,497 0.958,498 0.737,499 0.879,500 1.538,501 0.762,502 1.019,503 0.87,504 0.971,505 1.019,506 1.379,507 0.989,508 0.785,509 1.036,510 0.88,511 1.002,512 0.808,513 1.095,514 0.959,515 0.941,516 1.063,517 0.928,518 0.874,519 1.011,520 6.5,521 0.061,522 3.111,523 1.66,524 1.511,525 0.965,526 0.572,527 0.413,528 0.263,529 0.091,530 5999,531 24226,532 2.03,533 33.3,535 9,536 1,537 1,538 1,542 1.674,543 1.882,544 3.192,545 -0.177,547 1,550 72.494,551 2.014,552 3.609,553 4.214,554 4.705,555 4.837,556 4.837,557 2.654,558 3.752,559 4.556,560 3.333,561 919.814,562 7.888,563 10735.7,565 1,567 1,568 186.117,569 1.601,570 4.498,571 0.25,572 0.007,573 0.084,574 0.049,575 0.047,576 0.028,577 0.017,578 0.015,579 0.011,580 0.006,581 0.515,582 0.33,583 1,584 0.622,585 113.064,586 0.136,587 0.042,588 0.093,589 -0.09,590 -0.134,591 0.011,592 0.146,593 -0.021,594 -0.022,595 0.008,596 0.241,597 -0.062,598 -0.238,599 -0.14,600 -0.204,601 -0.143,602 -0.106,603 -0.188,604 -0.214,605 -0.069,606 -0.147,607 -0.1,608 -0.118,609 -0.104,610 -0.184,611 0.043,612 0.171,613 0.2,614 -0.202,615 0.242,616 0.24,617 0.094,618 -0.017,619 -0.104,620 0.062,621 -0.102,622 0.065,623 -0.087,624 -0.007,625 -0.068,626 0.033,627 -0.109,628 0.049,629 -0.086,630 0.004,631 0.002,632 0.078,633 0.047,634 4.678,635 5.547,636 0.708,637 18.819,638 1.033,639 1.119,640 2.868,641 8.227,642 0.753,643 3.296,644 3.638,645 3.829,646 4.043,647 4.22,648 4.277,649 4.263,650 4.304,651 4.29,652 4.277,653 5.604,654 0.722,655 383.28,656 3.296,657 4.844,658 5.673,659 6.553,660 7.403,661 8.285,662 9.144,663 10.028,664 10.891,665 11.777,666 11.1,671 1,674 1,676 2,681 9,682 2,686 5,687 1,688 17,702 2,703 36,705 19,706 2,707 26,709 38,710 15,711 14,712 5,713 7,717 3,718 3,719 2,729 14,730 1,733 2,736 1,737 2,744 1,747 12,748 5,749 1,750 9,751 3,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 2,805 24,808 1,810 1,811 1,822 1,824 2,825 5.6,828 2,832 12.75,833 6.386,834 5.153,835 1.885,836 2.974,837 1.438,838 1.003,839 4.99,840 9.759,841 3.624,842 4.28,843 4.753,844 5.277,845 5.701,846 5.903,847 6.103,848 6.374,849 6.62,850 6.895,851 1,852 34,853 9.059,854 4.121,855 8.061,856 16.334,857 13.355,859 2.561,860 61.472,864 129.482,865 106.836,866 51.385,867 78.297,868 44.313,870 5.807,871 101.029,872 252.092,873 51.385,875 2.106,876 81.189,877 105.693,878 25.318,879 11.771,880 105.94,881 78.297,882 129.482,883 152.414,884 44.313,885 84.105,887 129.482,888 44.313,891 12.93,892 89.875,893 133.713,895 129.482,896 95.698,897 185.133,899 5.807,900 129.482,901 16.6,902 86.205,903 16.405,904 155.814,905 129.482,906 95.698,907 185.133,909 0.591,910 0.326,911 0.165,912 0.09,913 18,914 8,915 0.132,916 5,918 1,919 3.558,920 193.106,922 17,923 104.039,927 1,928 17.082,929 7.011,930 4.219,932 93.921,933 14.131,934 7.613,938 2.087,939 1.587,940 16.405,941 410.313,942 36.5,945 -3.761,946 25.094,952 37.204,953 40.296,954 0.39,955 0.698,956 0.815,957 0.91,958 0.936,959 0.936,960 4.854,961 1.149,962 5.7,963 3.887,964 4.317,965 4.966,966 0.434,967 6.532,968 4.175,969 6.11,970 1,971 7.283,972 2.548,973 4.111,974 5.037,976 7.735,977 3.804,978 7.463,979 0.618,980 8.981,981 2.275,982 5.989,983 7.289,984 0.138,985 10.741,986 5.707,987 8.86,988 0.33,989 10.752,990 1.372,991 6.581,992 8.166,994 12.796,995 6.145,996 10.29,997 -0.179,998 12.574,999 0.821,1000 7.995,1001 9.942,1002 0.039,1003 15.435,1004 7.559,1005 11.747,1006 -0.303,1007 14.434,1008 -0.418,1009 8.933,1010 11.173,1012 17.796,1013 8.361,1014 13.224,1015 -0.587,1016 16.322,1017 -0.825,1018 10.193,1019 12.784,1020 0.011,1021 20.345,1022 9.588,1023 3.4,1024 -1,1025 18.232,1026 -1.518,1027 11.282,1028 14.178,1030 22.811,1031 10.558,1032 2.882,1033 12.531,1034 20.158,1035 -3,1036 12.496,1037 15.733,1038 0.003,1039 25.339,1040 11.711,1041 2.487,1042 9.222,1043 22.098,1044 4.709,1045 13.652,1046 17.204,1048 27.843,1049 12.76,1050 2.391,1051 6.999,1052 24.048,1053 3.901,1054 14.857,1055 18.744,1056 0.001,1057 30.367,1058 13.887,1059 2.075,1060 6.312,1061 26.005,1062 3.458,1063 16.044,1064 20.251,1066 32.885,1067 14.973,1068 1.656,1069 5.713,1070 27.969,1071 3.388,1072 17.25,1073 21.789,1075 35.41,1076 16.093,1077 1.42,1078 4.835,1079 29.938,1080 2.758,1081 18.452,1082 23.315,1084 37.933,1085 17.197,1086 5867,1087 11942,1088 16.989,1089 27.102,1090 39.169,1091 40.292,1092 39.373,1093 39.241,1094 38.818,1095 53.882,1096 1.043,1097 113.032,1098 35.91,1099 5.715,1100 6.686,1101 6.926,1102 5.385,1103 5.4,1104 7.709,1105 1.043,1106 19.938,1107 5.11,1108 11.992,1109 1.507,1110 1.55,1111 1.514,1112 1.509,1113 1.493,1114 2.072,1115 0.04,1116 4.347,1117 1.381,1118 4.099,1119 4.093,1120 4.738,1121 4.079,1122 7.717,1123 4.001,1124 3.937,1125 3.974,1126 4.007,1127 3.857,1128 6.999,1129 3.847,1130 3.78,1131 3.831,1132 3.924,1133 3.569,1134 5.117,1135 3.594,1136 3.596,1137 3.567,1138 3.801,1139 3.529,1140 4.936,1141 3.457,1142 3.091,1143 3.148,1144 3.347,1145 2.981,1146 4.915,1147 2.965,1148 2.869,1149 2.925,1150 3.157,1151 2.744,1152 4.337,1153 2.733,1154 2.854,1155 2.925,1156 2.743,1157 2.735,1158 4.252,1159 2.715,1160 2.661,1161 2.701,1162 2.687,1163 2.553,1164 3.827,1165 2.521,1166 0.187,1167 0.18,1168 0.281,1169 0.166,1170 0.131,1171 4.86,1172 0.181,1173 4.686,1174 0.02,1175 7.312,1176 0.482,1177 4.322,1178 0.12,1179 3.4,1180 4.709,1181 0.522,1182 12.531,1183 3.11,1184 1.978,1185 1.984,1186 2,1187 2.054,1188 1.214,1189 2.083,1190 1.883,1191 1.864,1192 1.945,1193 1.956,1194 1.123,1195 1.973,1196 1.478,1197 1.462,1198 1.632,1199 1.707,1200 0.759,1201 1.692,1202 1.411,1203 1.406,1204 1.379,1205 1.55,1206 0.555,1207 1.593,1208 1.192,1209 1.117,1210 1.224,1211 1.486,1212 0.426,1213 1.449,1214 0.886,1215 0.821,1216 1.181,1217 1.062,1218 0.218,1219 1.107,1220 0.86,1221 0.807,1222 1.015,1223 1.041,1224 0.173,1225 1.068,1226 0.786,1227 0.724,1228 0.895,1229 1.023,1231 1.025,1232 3.97,1233 5.303,1234 2.398,1235 6.815,1236 4.443,1237 8.408,1238 6.26,1239 10.045,1242 11.806,1247 0.357,1248 2.559,1257 25.991,1258 72.494,1259 129.936,1260 151.711,1261 169.362,1262 174.117,1263 174.117,1264 49.214,1265 6.786,1266 76.88,1267 85.26,1268 17,1269 12.313,1270 4.322,1271 3.524,1272 39.049,1273 78,1274 86,1275 0.24,1276 172.023,1277 287.67,1278 411.495,1279 7310,1280 5.6,1281 17.156,1282 0.715,1283 0.606,1284 18.406,1285 14.554,1286 11.437,1287 0.44,1288 0.35,1289 6.941,1290 9.644,1291 6.617,1292 5.462,1293 12.836,1294 9.088,1295 10.974,1296 0.297,1297 0.203,1298 13.091,1299 7.517,1300 8.422,1301 0.187,1302 0.114,1303 10.064,1304 5.113,1305 6.68,1306 0.119,1307 0.062,1308 8.102,1309 3.48,1310 5.05,1311 0.075,1312 0.04,1313 6.54,1314 2.649,1315 0.369,1316 86.134,1317 0.243,1318 23.23,1319 0.684,1320 126,1321 438.006,1322 205.193,1323 505.805,1324 658.39,1325 462,1326 145,1327 410.936,1328 221.796,1329 469.856,1330 673.85,1331 438,1332 5.9}
{0 CHEMBL2207088,1 2.014,2 8.75,3 3.885,4 15.092,5 97.341,6 10.647,7 0.654,8 3.726,9 3.806,10 3.743,11 3.38,12 4.905,13 3.341,14 4.216,15 4.323,16 4.051,17 3.751,18 5.673,19 3.702,20 4.429,21 4.573,22 4.051,23 3.853,24 5.685,25 3.753,26 4.463,27 4.627,28 4.133,29 3.793,30 5.757,31 3.698,32 4.439,33 4.593,34 4.184,35 3.744,36 5.885,37 3.696,38 4.385,39 4.522,40 4.026,41 3.703,42 5.861,43 3.654,44 4.251,45 4.413,46 3.919,47 3.656,48 5.579,49 3.561,50 4.188,51 4.362,52 3.806,53 3.51,54 5.56,55 3.413,56 0.158,57 0.572,58 4.452,59 3.183,60 17.289,61 2.902,62 0.404,63 0.86,64 7.357,65 5.083,66 43.394,67 4.966,68 0.484,69 0.979,70 19.111,71 7.561,72 45.661,73 7.134,74 0.592,75 1.003,76 23.585,77 8.092,78 61.132,79 7.231,80 0.711,81 0.95,82 29.194,83 8.191,84 85.538,85 7.099,86 0.772,87 0.879,88 18.646,89 6.454,90 85.681,91 5.485,92 0.436,93 0.789,94 12.823,95 6.003,96 42.353,97 6.462,98 0.505,99 0.64,100 19.9,101 6.067,102 50.105,103 6.629,104 17,105 37,106 0.36,107 0.645,108 0.776,109 0.884,110 0.903,111 0.903,112 3.229,113 1.049,114 -4.1,115 -4.04,116 -3.83,119 41.7,125 1,138 7,139 1,140 4,141 1,147 1,159 2,163 4,165 2,166 1,169 2,171 2,172 10,176 6,181 3,183 4,187 10,190 1,192 3,194 2,198 9,201 1,203 2,205 4,208 2,209 7,212 1,217 4,220 2,221 3,227 9,230 2,231 4,238 4,242 5,249 4,252 840,253 15.764,254 15.764,255 15.764,256 15.764,257 15.764,258 13.328,259 15.79,260 9.285,261 16.312,262 12.86,263 12.86,264 12.86,265 12.86,266 12.86,267 9.245,268 18.708,269 4.459,270 13.854,271 3.156,272 1.561,273 0.824,274 0.222,275 0.111,276 0.111,277 3.903,279 2,281 1,282 1,283 1,284 446,285 3.317,287 64.433,288 164.421,295 1.271,296 32.932,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 52.667,308 210,309 4.863,310 4.687,311 7.315,312 4.325,313 3.404,314 4.713,315 0.522,316 12.549,317 3.112,318 4.256,319 3.157,320 6.187,321 3.85,322 2.884,323 3.901,325 9.227,326 2.772,327 3.892,328 2.888,329 5.363,330 3.429,331 2.488,332 3.458,334 7.008,335 2.337,336 3.827,337 2.797,338 5.212,339 3.295,340 2.382,341 3.385,343 6.5,344 2.142,345 3.437,346 2.459,347 4.93,348 2.959,349 2.073,350 2.757,352 5.709,353 1.75,354 3.013,355 1.867,356 4.645,357 2.552,358 1.607,359 2.2,361 4.555,362 1.488,363 2.859,364 1.573,365 4.234,366 2.381,367 1.419,368 1.99,370 3.826,371 1.317,372 2.611,373 1.234,374 3.488,375 2.103,376 1.151,377 1.654,379 2.549,380 1.093,381 2.579,382 1.175,383 3.431,384 2.091,385 1.108,386 1.612,388 2.528,389 1.076,390 2.118,391 0.684,392 3.189,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.613,400 0.618,401 3,402 1.266,403 0.327,404 0.404,406 0.812,407 0.291,408 1.033,409 0.265,410 2.789,411 0.669,412 -0.259,413 -0.315,415 -0.747,416 -0.211,417 1,418 0.194,419 2.6,420 0.417,421 -0.404,422 -0.51,424 -0.906,425 -0.256,426 0.943,427 0.002,428 2.349,429 0.262,430 -0.587,431 -0.715,433 -1.517,434 -0.449,435 0.68,436 -0.278,437 2.109,438 0.169,439 -0.775,440 -1.074,442 -2.166,443 -0.702,444 12.029,445 0.501,446 0.735,447 0.031,448 34.5,449 1.438,450 19.5,451 0.813,452 15,453 0.625,454 16.793,455 0.7,456 25.171,457 0.699,458 25.311,459 1.055,460 6.791,461 0.283,462 4.647,463 0.194,464 0.174,465 0.069,466 0.241,472 0.464,473 1.122,474 0.606,475 1.042,476 0.642,477 0.786,478 0.653,479 1.112,480 0.714,481 0.864,482 0.553,483 0.877,484 1.136,485 1.137,486 1.168,487 1.158,488 1.019,489 1.145,490 1.211,491 1.064,492 0.936,493 1.04,494 1.301,495 1.005,496 1.165,497 0.982,498 0.949,499 1.084,500 1.346,501 0.831,502 1.28,503 0.852,504 1.055,505 0.952,506 1.609,507 1.013,508 0.764,509 1.023,510 0.812,511 0.933,512 0.783,513 1.018,514 1.066,515 0.931,516 1.221,517 0.957,518 0.94,519 1.022,520 6.5,521 0.041,522 2.889,523 1.785,524 1.688,525 0.799,526 0.573,527 0.42,528 0.243,529 0.085,530 5923,531 23634,532 2.03,533 33.3,535 9,536 1,537 1,538 1,542 1.675,543 1.882,544 3.144,545 -0.177,547 1,550 72.494,551 2.014,552 3.609,553 4.346,554 4.948,555 5.059,556 5.059,557 2.507,558 3.855,559 4.558,560 3.288,561 907.487,562 7.894,563 10609.7,565 1,567 1,568 186.117,569 1.601,570 4.498,571 0.25,572 0.005,573 0.078,574 0.052,575 0.051,576 0.022,577 0.018,578 0.015,579 0.01,580 0.006,581 0.508,582 0.33,583 1,584 0.622,585 112.787,586 0.136,587 0.042,588 0.093,589 -0.09,590 -0.134,591 0.011,592 0.146,593 -0.021,594 -0.022,595 0.008,596 0.241,597 -0.062,598 -0.238,599 -0.14,600 -0.204,601 -0.143,602 -0.113,603 -0.188,604 -0.172,605 -0.054,606 0.017,607 0.02,608 -0.134,609 -0.022,610 0.005,611 0.009,612 0.077,613 0.005,614 0.025,615 0.158,616 -0.053,617 0.116,618 -0.148,619 -0.041,620 -0.184,621 -0.122,622 0.087,623 -0.074,624 0.063,625 0.003,626 0.059,627 -0.029,628 -0.002,629 -0.083,630 -0.053,631 -0.013,632 0.037,633 0.026,634 4.709,635 5.572,636 0.708,637 18.167,638 1.033,639 1.119,640 2.868,641 8.227,642 0.753,643 3.296,644 3.638,645 3.829,646 4.06,647 4.234,648 4.22,649 4.304,650 4.304,651 4.29,652 4.263,653 5.512,654 0.722,655 383.28,656 3.296,657 4.844,658 5.673,659 6.555,660 7.407,661 8.29,662 9.151,663 10.034,664 10.902,665 11.785,666 11.1,671 1,674 1,676 2,681 9,682 2,686 5,687 1,688 17,702 2,703 36,705 19,706 2,707 26,709 38,710 15,711 14,712 5,713 7,717 3,718 3,719 2,729 14,730 1,733 2,736 1,737 2,744 1,747 12,748 5,749 1,750 9,751 3,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 2,805 24,808 1,810 1,811 1,822 1,824 2,825 5.6,828 2,832 12.75,833 6.386,834 5.153,835 1.885,836 2.983,837 1.44,838 1.003,839 4.99,840 9.769,841 3.624,842 4.28,843 4.753,844 5.289,845 5.716,846 5.828,847 6.158,848 6.371,849 6.618,850 6.887,851 0.833,852 34,853 9.069,854 4.135,855 8.061,856 16.334,857 13.355,859 2.561,860 61.472,864 129.482,865 106.836,866 51.385,867 78.297,868 44.313,870 5.807,871 101.029,872 252.092,873 51.385,875 2.106,876 81.189,877 105.693,878 25.318,879 11.771,880 105.94,881 78.297,882 129.482,883 152.414,884 44.313,885 84.105,887 129.482,888 44.313,891 12.93,892 89.875,893 133.713,895 129.482,896 95.698,897 185.133,899 5.807,900 129.482,901 16.6,902 86.205,903 16.405,904 155.814,905 129.482,906 95.698,907 185.133,909 0.589,910 0.327,911 0.171,912 0.094,913 18,914 8,915 0.132,916 5,918 1,919 3.543,920 193.867,922 17,923 108.039,927 1,928 17.082,929 7.011,930 4.219,932 93.921,933 14.235,934 7.611,938 1.906,939 1.584,940 16.405,941 410.313,942 36.5,945 -3.792,946 25.144,952 37.204,953 40.296,954 0.39,955 0.698,956 0.841,957 0.957,958 0.979,959 0.979,960 4.854,961 1.151,962 5.7,963 3.826,964 4.317,965 4.966,966 0.434,967 6.535,968 4.175,969 6.11,970 1.108,971 7.283,972 2.549,973 4.111,974 5.037,976 7.735,977 3.804,978 7.463,979 0.618,980 8.981,981 2.528,982 5.989,983 7.289,984 0.138,985 10.75,986 5.707,987 8.86,988 0.327,989 10.753,990 1.372,991 6.581,992 8.166,994 12.801,995 6.145,996 10.29,997 -0.259,998 12.577,999 0.812,1000 7.997,1001 9.943,1002 0.039,1003 15.446,1004 7.56,1005 11.747,1006 -0.404,1007 14.437,1008 -0.747,1009 8.936,1010 11.176,1012 17.805,1013 8.363,1014 13.225,1015 -0.587,1016 16.326,1017 -0.906,1018 10.198,1019 12.788,1020 0.011,1021 20.357,1022 9.59,1023 3.404,1024 -0.775,1025 18.236,1026 -1.517,1027 11.289,1028 14.184,1030 22.824,1031 10.561,1032 2.884,1033 12.549,1034 20.163,1035 -2.166,1036 12.504,1037 15.739,1038 0.003,1039 25.354,1040 11.715,1041 2.488,1042 9.227,1043 22.103,1044 4.713,1045 13.662,1046 17.212,1048 27.858,1049 12.764,1050 2.382,1051 7.008,1052 24.053,1053 3.901,1054 14.868,1055 18.752,1056 0.001,1057 30.384,1058 13.892,1059 2.073,1060 6.5,1061 26.011,1062 3.458,1063 16.056,1064 20.261,1066 32.903,1067 14.978,1068 1.607,1069 5.709,1070 27.976,1071 3.385,1072 17.264,1073 21.799,1075 35.43,1076 16.098,1077 1.419,1078 4.555,1079 29.945,1080 2.757,1081 18.467,1082 23.326,1084 37.955,1085 17.203,1086 5795,1087 11732,1088 16.989,1089 27.102,1090 39.253,1091 39.892,1092 39.372,1093 39.32,1094 38.92,1095 54.004,1096 1.043,1097 113.271,1098 35.974,1099 5.718,1100 6.687,1101 6.929,1102 5.388,1103 5.404,1104 7.713,1105 1.043,1106 20.003,1107 5.112,1108 11.88,1109 1.51,1110 1.534,1111 1.514,1112 1.512,1113 1.497,1114 2.077,1115 0.04,1116 4.357,1117 1.384,1118 4.099,1119 4.093,1120 4.739,1121 4.08,1122 7.717,1123 4.001,1124 3.937,1125 3.974,1126 4.007,1127 3.857,1128 6.999,1129 3.847,1130 3.78,1131 3.831,1132 3.913,1133 3.567,1134 5.117,1135 3.594,1136 3.594,1137 3.567,1138 3.801,1139 3.526,1140 4.934,1141 3.451,1142 3.091,1143 3.148,1144 3.347,1145 2.981,1146 4.912,1147 2.965,1148 2.879,1149 2.926,1150 3.216,1151 2.795,1152 4.337,1153 2.768,1154 2.865,1155 2.921,1156 2.752,1157 2.735,1158 4.285,1159 2.725,1160 2.638,1161 2.704,1162 2.68,1163 2.492,1164 3.836,1165 2.471,1166 0.187,1167 0.18,1168 0.281,1169 0.166,1170 0.131,1171 4.863,1172 0.181,1173 4.687,1174 0.02,1175 7.315,1176 0.483,1177 4.325,1178 0.12,1179 3.404,1180 4.713,1181 0.522,1182 12.549,1183 3.112,1184 1.978,1185 1.984,1186 2,1187 2.054,1188 1.214,1189 2.082,1190 1.883,1191 1.864,1192 1.947,1193 1.956,1194 1.123,1195 1.973,1196 1.478,1197 1.462,1198 1.632,1199 1.707,1200 0.759,1201 1.693,1202 1.414,1203 1.406,1204 1.379,1205 1.556,1206 0.565,1207 1.599,1208 1.192,1209 1.117,1210 1.242,1211 1.486,1212 0.426,1213 1.449,1214 0.869,1215 0.824,1216 1.113,1217 1.045,1218 0.188,1219 1.077,1220 0.86,1221 0.806,1222 1.037,1223 1.032,1224 0.154,1225 1.053,1226 0.788,1227 0.724,1228 0.92,1229 1.006,1231 1.026,1232 3.97,1233 5.303,1234 2.398,1235 6.815,1236 4.443,1237 8.409,1238 6.26,1239 10.05,1242 11.881,1247 0.352,1248 2.551,1257 25.991,1258 72.494,1259 129.936,1260 156.466,1261 178.117,1262 182.117,1263 182.117,1264 49.568,1265 6.786,1266 76.88,1267 85.26,1268 17,1269 12.322,1270 4.322,1271 3.524,1272 39.009,1273 77,1274 70,1275 0.244,1276 172.023,1277 287.67,1278 411.495,1279 7310,1280 5.6,1281 17.156,1282 0.715,1283 0.606,1284 18.406,1285 14.554,1286 11.437,1287 0.44,1288 0.35,1289 6.941,1290 9.644,1291 6.617,1292 5.463,1293 12.836,1294 9.088,1295 10.986,1296 0.297,1297 0.203,1298 13.103,1299 7.52,1300 8.343,1301 0.185,1302 0.112,1303 9.945,1304 5.06,1305 6.782,1306 0.119,1307 0.064,1308 8.343,1309 3.675,1310 5.243,1311 0.077,1312 0.04,1313 6.942,1314 2.696,1315 0.372,1316 86.134,1317 0.243,1318 23.159,1319 0.698,1320 126,1321 438.006,1322 205.193,1323 505.87,1324 658.41,1325 462,1326 145,1327 410.936,1328 221.796,1329 469.993,1330 674.16,1331 438,1332 5.9}
{0 CHEMBL2207089,1 1.845,2 9.4,3 4.193,4 17.58,5 102.618,6 8.974,7 0.63,8 3.849,9 3.949,10 3.73,11 3.466,12 4.967,13 3.417,14 4.36,15 4.507,16 4.024,17 3.839,18 5.703,19 3.78,20 4.547,21 4.698,22 4.044,23 3.973,24 5.737,25 3.871,26 4.686,27 4.879,28 4.054,29 3.96,30 5.865,31 3.838,32 4.684,33 4.903,34 4.123,35 3.904,36 5.857,37 3.8,38 4.569,39 4.719,40 4.079,41 3.812,42 6.031,43 3.761,44 4.455,45 4.637,46 3.885,47 3.747,48 5.755,49 3.655,50 4.332,51 4.528,52 3.727,53 3.631,54 5.588,55 3.529,56 0.135,57 0.66,58 8.858,59 4.009,60 16.063,61 4.426,62 0.364,63 1.005,64 15.367,65 6.591,66 48.961,67 7.729,68 0.289,69 1.158,70 21.641,71 8.604,72 35.781,73 9.518,74 0.447,75 1.271,76 27.303,77 9.964,78 52.792,79 11.184,80 0.51,81 1.227,82 39.058,83 10.995,84 68.472,85 11.944,86 0.824,87 1.062,88 29.165,89 8.027,90 104.813,91 7.745,92 0.512,93 0.953,94 20.866,95 7.136,96 70.795,97 8.144,98 0.389,99 0.796,100 21.811,101 6.857,102 46.977,103 8.509,104 26,105 39,106 0.32,107 0.637,108 0.766,109 0.838,110 0.854,111 0.879,112 3.267,113 1.049,114 -4.07,115 -4.02,116 -3.8,119 40.5,120 2,125 1,138 6,139 3,140 3,141 1,147 1,159 2,163 8,165 2,166 1,169 2,171 2,172 13,176 6,181 3,183 8,187 12,190 1,192 4,194 2,198 9,201 1,203 2,205 4,208 2,209 9,212 1,214 1,217 6,220 2,221 3,227 10,230 2,231 5,238 8,242 6,249 5,252 922,253 16.264,254 16.264,255 16.264,256 16.264,257 16.264,258 13.775,259 17.472,260 9.418,261 16.675,262 13.311,263 13.311,264 13.311,265 13.311,266 13.311,267 9.625,268 20.386,269 4.5,270 14.035,271 3.547,272 1.721,273 0.977,274 0.56,275 0.465,276 0.322,277 3.94,279 1,282 1,283 1,284 498,285 3.391,287 67.782,288 173.258,295 1.376,296 30.428,298 1,299 1,300 1,301 1,302 0.6,304 1,305 1,306 0.8,307 54.333,308 235,309 4.866,310 4.687,311 7.316,312 4.331,313 3.408,314 4.718,315 0.522,316 12.554,317 3.126,318 4.261,319 3.157,320 6.189,321 3.862,322 2.891,323 3.907,325 9.233,326 2.804,327 4.094,328 2.914,329 5.892,330 3.684,331 2.691,332 3.705,334 8.037,335 2.66,336 3.888,337 2.797,338 5.356,339 3.422,340 2.48,341 3.456,343 6.988,344 2.331,345 3.439,346 2.459,347 4.938,348 2.964,349 2.077,350 2.76,352 5.72,353 1.753,354 3.106,355 1.857,356 4.843,357 2.649,358 1.664,359 2.33,361 4.976,362 1.634,363 2.86,364 1.638,365 4.265,366 2.414,367 1.42,368 1.99,370 3.909,371 1.414,372 2.819,373 1.516,374 4.039,375 2.403,376 1.414,377 1.945,379 3.51,380 1.393,381 2.579,382 1.223,383 3.431,384 2.092,385 1.149,386 1.612,388 2.548,389 1.076,390 2.118,391 0.696,392 3.25,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.614,400 0.618,401 3,402 1.273,403 0.332,404 0.409,406 0.825,407 0.297,408 1.369,409 0.583,410 2.832,411 1.087,412 0.099,413 0.12,415 0.218,416 0.097,417 1.033,418 0.148,419 2.664,420 0.664,421 -0.266,422 -0.326,424 -0.77,425 -0.218,426 1,427 -0.034,428 2.375,429 0.34,430 -0.587,431 -0.715,433 -1.517,434 -0.45,435 0.743,436 -0.276,437 2.35,438 0.262,439 -0.647,440 -0.841,442 -1.712,443 -0.631,444 12.314,445 0.493,446 0.824,447 0.033,448 34.75,449 1.39,450 19.5,451 0.78,452 15.25,453 0.61,454 19.182,455 0.767,456 26.686,457 0.635,458 26.009,459 1.04,460 6.815,461 0.273,462 5.033,463 0.201,464 0.193,465 0.068,466 0.276,472 0.437,473 1.163,474 0.683,475 1.129,476 0.646,477 0.891,478 0.595,479 1.025,480 0.706,481 0.842,482 0.515,483 0.815,484 1.054,485 1.209,486 1.131,487 1.198,488 0.969,489 1.172,490 1.088,491 1.127,492 1.006,493 1.142,494 1.162,495 1.126,496 1.145,497 0.971,498 0.965,499 1.041,500 1.262,501 0.765,502 1.74,503 0.921,504 1.35,505 1.095,506 2.139,507 0.978,508 1.287,509 0.907,510 0.958,511 0.863,512 1.473,513 0.965,514 0.914,515 0.941,516 1.118,517 0.968,518 0.839,519 1.011,520 7,521 0.087,522 3.556,523 1.847,524 1.862,525 0.965,526 0.612,527 0.476,528 0.309,529 0.146,530 6590,531 21293,532 2.005,533 40.5,534 6,535 8,536 1,537 1,538 1,542 1.685,543 1.84,544 3.219,545 -0.238,547 1,550 77.504,551 1.845,552 3.672,553 4.416,554 4.833,555 4.928,556 5.071,557 2.661,558 4.404,559 4.616,560 3.36,561 1007.99,562 8.009,563 12101.1,565 1,567 1,568 226.477,569 1.673,570 4.546,571 0.259,572 0.008,573 0.091,574 0.05,575 0.055,576 0.026,577 0.017,578 0.016,579 0.012,580 0.009,581 0.543,582 0.33,583 1,584 0.65,585 119.388,586 0.187,587 0.03,588 0.152,589 -0.074,590 -0.137,591 0.012,592 0.244,593 0.067,594 0.088,595 0.104,596 0.29,597 0.095,598 -0.174,599 -0.163,600 -0.18,601 -0.175,602 -0.079,603 -0.226,604 -0.084,605 -0.131,606 -0.051,607 -0.115,608 -0.077,609 -0.154,610 -0.032,611 -0.002,612 0.175,613 0.114,614 -0.002,615 0.269,616 -0.09,617 0.09,618 -0.192,619 -0.066,620 -0.182,621 -0.091,622 -0.089,623 0.058,624 -0.023,625 0.07,626 -0.123,627 -0.029,628 0.092,629 -0.051,630 -0.028,631 -0.05,632 0.097,633 -0.013,634 4.641,635 5.742,636 0.68,637 19.946,638 1.015,639 1.123,640 2.838,641 8.053,642 0.709,643 3.332,644 3.689,645 3.892,646 4.094,647 4.29,648 4.331,649 4.344,650 4.357,651 4.369,652 4.369,653 5.722,654 0.672,655 376.9,656 3.332,657 4.89,658 5.727,659 6.611,660 7.469,661 8.354,662 9.221,663 10.107,664 10.978,665 11.864,666 9.5,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 1,703 42,705 19,706 2,707 27,709 44,710 17,711 14,712 6,713 6,717 3,718 3,719 1,721 2,729 14,730 3,733 2,736 1,737 2,744 1,747 17,748 5,749 1,750 8,751 2,755 4,760 1,761 2,775 1,776 2,796 3,799 1,801 2,802 1,805 25,808 1,810 1,811 1,822 1,824 1,825 4.8,828 2,832 13.583,833 8.16,834 5.347,835 2.3,836 2.998,837 1.436,838 0.993,839 5.021,840 9.879,841 3.651,842 4.321,843 4.803,844 5.322,845 5.77,846 5.963,847 6.188,848 6.405,849 6.671,850 6.957,851 1,852 37,853 9.455,854 4.247,855 7.941,856 17.323,857 14.168,859 2.441,860 61.028,863 1,864 188.338,865 117.881,866 51.385,867 39.149,868 44.313,870 5.807,871 112.073,872 271.799,873 51.385,874 17.65,875 2.106,876 71.712,877 105.693,878 28.189,879 11.771,880 164.795,881 39.149,882 188.338,883 163.458,884 44.313,885 44.956,887 188.338,888 44.313,891 30.58,892 83.27,893 94.565,895 188.338,896 95.698,897 157.029,899 5.807,900 188.338,901 19.471,902 94.379,903 16.405,904 116.665,905 188.338,906 95.698,907 157.029,909 0.596,910 0.336,911 0.165,912 0.092,913 19,914 9,915 0.114,916 5,918 1,919 3.596,920 205.845,922 17,923 112.096,927 1,928 17.773,929 7.063,930 4.142,932 93.921,933 13.366,934 7.661,938 3.76,939 1.608,940 16.405,941 441.065,942 37.5,945 -3.725,946 25.484,952 42.647,953 47.182,954 0.342,955 0.681,956 0.819,957 0.896,958 0.914,959 0.94,960 4.892,961 1.414,962 5.765,963 3.909,964 4.369,965 5.007,966 0.434,967 6.611,968 4.269,969 6.158,970 1.149,971 7.361,972 3.51,973 4.205,974 5.121,976 7.811,977 3.997,978 7.519,979 0.618,980 9.069,981 2.548,982 6.057,983 7.343,984 0.138,985 10.823,986 5.844,987 8.921,988 0.332,989 10.846,990 1.372,991 6.673,992 8.245,994 12.852,995 6.347,996 10.356,997 0.099,998 12.669,999 0.825,1000 8.072,1001 10.003,1002 0.039,1003 15.493,1004 7.724,1005 11.815,1006 -0.266,1007 14.526,1008 0.218,1009 9.019,1010 11.245,1012 17.835,1013 8.56,1014 13.293,1015 -0.587,1016 16.409,1017 -0.77,1018 10.27,1019 12.846,1020 0.011,1021 20.383,1022 9.764,1023 3.408,1024 -0.647,1025 18.312,1026 -1.517,1027 11.36,1028 14.242,1030 22.841,1031 10.747,1032 2.891,1033 12.554,1034 20.231,1035 -1.712,1036 12.568,1037 15.791,1038 0.003,1039 25.368,1040 11.887,1041 2.691,1042 9.233,1043 22.163,1044 4.718,1045 13.721,1046 17.26,1048 27.869,1049 12.938,1050 2.48,1051 8.037,1052 24.105,1053 3.907,1054 14.921,1055 18.795,1056 0.001,1057 30.394,1058 14.056,1059 2.077,1060 6.988,1061 26.056,1062 3.705,1063 16.105,1064 20.3,1066 32.911,1067 15.139,1068 1.664,1069 5.72,1070 28.014,1071 3.456,1072 17.308,1073 21.835,1075 35.437,1076 16.253,1077 1.42,1078 4.976,1079 29.978,1080 2.76,1081 18.508,1082 23.36,1084 37.962,1085 17.354,1086 6473,1087 11827,1088 17.394,1089 29.767,1090 40.733,1091 41.758,1092 41.484,1093 40.727,1094 40.49,1095 55.758,1096 1.043,1097 119.783,1098 38.389,1099 5.722,1100 6.687,1101 6.93,1102 5.394,1103 5.408,1104 7.718,1105 1.043,1106 20.02,1107 5.126,1108 13.803,1109 1.509,1110 1.547,1111 1.536,1112 1.508,1113 1.5,1114 2.065,1115 0.039,1116 4.436,1117 1.422,1118 4.109,1119 4.105,1120 4.737,1121 4.09,1122 7.717,1123 4.017,1124 3.945,1125 3.988,1126 4.007,1127 3.863,1128 6.999,1129 3.858,1130 3.79,1131 3.843,1132 3.803,1133 3.619,1134 5.117,1135 3.599,1136 3.656,1137 3.636,1138 3.767,1139 3.545,1140 4.924,1141 3.515,1142 3.151,1143 3.245,1144 3.344,1145 2.995,1146 4.693,1147 2.971,1148 3.094,1149 3.153,1150 2.935,1151 2.983,1152 4.329,1153 2.964,1154 3.048,1155 3.129,1156 2.86,1157 2.879,1158 3.891,1159 2.854,1160 2.84,1161 2.894,1162 2.734,1163 2.705,1164 3.855,1165 2.683,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.866,1172 0.175,1173 4.687,1174 0.019,1175 7.316,1176 0.465,1177 4.331,1178 0.116,1179 3.408,1180 4.718,1181 0.522,1182 12.554,1183 3.126,1184 2.002,1185 2.004,1186 2.051,1187 2.071,1188 1.256,1189 2.102,1190 1.902,1191 1.878,1192 1.993,1193 1.989,1194 1.175,1195 1.998,1196 1.515,1197 1.539,1198 1.632,1199 1.719,1200 0.795,1201 1.726,1202 1.465,1203 1.408,1204 1.566,1205 1.626,1206 0.734,1207 1.657,1208 1.192,1209 1.117,1210 1.514,1211 1.486,1212 0.628,1213 1.476,1214 1.191,1215 1.105,1216 1.379,1217 1.42,1218 0.426,1219 1.449,1220 1.049,1221 0.978,1222 1.207,1223 1.281,1224 0.362,1225 1.321,1226 0.836,1227 0.781,1228 1.05,1229 1.039,1230 0.159,1231 1.06,1232 4.007,1233 5.352,1234 2.398,1235 6.874,1236 4.443,1237 8.479,1238 6.26,1239 10.127,1241 3.816,1242 6.05,1247 0.377,1248 2.629,1257 28.217,1258 77.504,1259 154.213,1260 185.458,1261 202.968,1262 206.968,1263 212.968,1264 51.901,1265 6.88,1266 76.88,1267 85.26,1268 17,1269 12.399,1270 4.322,1271 3.524,1272 41.539,1273 84,1274 83,1275 0.24,1276 182.874,1277 307.06,1278 437.973,1279 8221,1280 2.4,1281 18.027,1282 0.721,1283 0.614,1284 18.777,1285 15.343,1286 11.848,1287 0.439,1288 0.35,1289 7.639,1290 10.364,1291 7.208,1292 6.028,1293 12.958,1294 9.437,1295 11.482,1296 0.294,1297 0.202,1298 13.191,1299 7.873,1300 9.005,1301 0.188,1302 0.115,1303 10.345,1304 5.507,1305 6.896,1306 0.117,1307 0.063,1308 8.166,1309 3.707,1310 5.381,1311 0.075,1312 0.04,1313 6.742,1314 2.849,1315 0.368,1316 85.423,1317 0.24,1318 24.006,1319 0.682,1320 132,1321 419.803,1322 195.673,1323 461.166,1324 612.6,1325 422,1326 153,1327 405.073,1328 220.038,1329 457.389,1330 654.72,1331 425,1332 6.3}
{0 CHEMBL2207091,1 2.163,2 9.593,3 4.163,4 17.329,5 98.51,6 10.688,7 0.586,8 3.82,9 3.901,10 3.807,11 3.404,12 5.076,13 3.404,14 4.356,15 4.465,16 4.187,17 3.769,18 6.237,19 3.774,20 4.516,21 4.658,22 4.139,23 3.879,24 5.924,25 3.835,26 4.634,27 4.806,28 4.179,29 3.835,30 6.089,31 3.808,32 4.571,33 4.724,34 4.328,35 3.8,36 6,37 3.803,38 4.61,39 4.74,40 4.284,41 3.739,42 6.638,43 3.767,44 4.358,45 4.527,46 3.943,47 3.677,48 5.763,49 3.624,50 4.298,51 4.467,52 3.881,53 3.542,54 5.799,55 3.524,56 0.279,57 0.833,58 4.373,59 3.753,60 51.156,61 3.043,62 1.042,63 1.599,64 8.462,65 6.158,66 170.383,67 5.146,68 0.802,69 1.367,70 15.875,71 8.16,72 101.445,73 7.25,74 1.204,75 1.47,76 22.022,77 9.113,78 175.543,79 7.488,80 1.007,81 1.434,82 30.906,83 9.47,84 180.778,85 7.314,86 1.776,87 1.248,88 20.825,89 7.339,90 296.792,91 5.62,92 0.802,93 1.035,94 14.187,95 6.692,96 108.283,97 6.65,98 0.781,99 0.98,100 18.092,101 6.386,102 99.253,103 6.661,104 38,105 43,106 0.38,107 0.664,108 0.792,109 0.881,110 0.89,111 0.89,112 3.34,113 0.966,114 -4.45,115 -4.38,116 -4.13,119 41,125 1,131 1,138 7,139 2,140 3,141 1,147 1,159 2,163 6,165 2,166 1,169 2,171 2,172 9,176 6,181 3,183 4,187 12,190 1,192 4,194 1,198 7,201 1,203 1,205 4,208 2,209 7,212 1,217 6,220 2,221 3,227 8,230 2,231 5,238 5,242 5,249 2,252 1107,253 17.236,254 17.236,255 17.236,256 17.236,257 17.236,258 14.891,259 18.644,260 9.926,261 17.899,262 14.334,263 14.334,264 14.334,265 14.334,266 14.334,267 10.783,268 22.46,269 4.745,270 15.544,271 3.122,272 1.511,273 0.78,274 0.276,275 0.224,276 0.224,277 4.01,279 1,282 1,283 1,284 544,285 4.123,287 73.398,288 189.409,295 1.46,296 58.124,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 62.833,308 259,309 4.868,310 4.69,311 7.326,312 4.347,313 3.433,314 4.716,315 3.825,316 12.585,317 3.128,318 4.414,319 4.455,320 7.099,321 4.133,322 3.272,323 3.906,324 0.522,325 11.63,326 2.854,327 4.249,328 3.156,329 6.186,330 3.842,331 2.878,332 3.734,334 9.222,335 2.737,336 3.889,337 2.797,338 5.358,339 3.425,340 2.483,341 3.456,343 6.998,344 2.332,345 3.477,346 2.467,347 5.024,348 3.003,349 2.097,350 2.789,352 5.856,353 1.893,354 3.418,355 2.209,356 4.923,357 2.933,358 2,359 2.726,361 5.665,362 1.748,363 2.884,364 1.777,365 4.504,366 2.479,367 1.513,368 2.021,370 4.235,371 1.454,372 2.724,373 1.437,374 4.225,375 2.228,376 1.268,377 1.79,379 3.666,380 1.197,381 2.579,382 1.225,383 3.499,384 2.093,385 1.149,386 1.612,388 2.549,389 1.077,390 2.563,391 1.147,392 3.431,393 2.074,394 1.086,395 1.59,397 2.496,398 1.066,399 2.118,400 0.684,401 3.195,402 1.604,403 0.618,404 0.927,406 1.372,407 0.609,408 1.613,409 0.618,410 3,411 1.266,412 0.327,413 0.404,415 0.812,416 0.291,417 1.033,418 0.51,419 2.807,420 0.669,421 -0.259,422 -0.316,424 -0.753,425 -0.211,426 1,427 0.51,428 2.722,429 0.319,430 -0.587,431 -0.715,433 -1.516,434 -0.449,435 0.787,436 0.244,437 2.586,438 0.262,439 -0.649,440 -0.882,442 -1.62,443 -0.617,444 12.671,445 0.469,446 1.023,447 0.038,448 36.5,449 1.352,450 19.5,451 0.722,452 17,453 0.63,454 20.042,455 0.742,456 29.929,457 0.767,458 31.397,459 1.163,460 7.397,461 0.274,462 5.251,463 0.194,464 0.177,465 0.105,466 0.229,469 3,472 0.513,473 0.939,474 0.633,475 1.111,476 0.634,477 0.841,478 0.473,479 0.76,480 0.714,481 0.872,482 0.422,483 0.901,484 0.8,485 0.955,486 1.103,487 1.181,488 0.694,489 1.191,490 1.167,491 0.98,492 1.107,493 1.032,494 1.134,495 1.034,496 1.044,497 1.025,498 1.017,499 1.249,500 1.141,501 0.89,502 0.842,503 0.656,504 1.093,505 0.82,506 0.953,507 0.972,508 0.749,509 0.798,510 0.939,511 0.936,512 0.735,513 1.075,514 0.819,515 0.934,516 1.129,517 1.02,518 0.738,519 1.061,520 8.5,521 0.144,522 3.778,523 2.16,524 1.826,525 1.431,526 0.614,527 0.514,528 0.367,529 0.224,530 7996,531 36783,532 1.975,533 30.8,535 9,536 1,537 1,538 1,542 1.706,543 1.8,544 3.254,545 -0.162,547 1,550 84.356,551 2.163,552 3.774,553 4.506,554 5.01,555 5.061,556 5.061,557 2.665,558 4.032,559 4.728,560 3.434,561 1205.42,562 8.233,563 15338.1,565 1,567 1,568 206.131,569 1.75,570 4.642,571 0.293,572 0.008,573 0.088,574 0.054,575 0.047,576 0.034,577 0.015,578 0.017,579 0.012,580 0.01,581 0.578,582 0.17,583 1,584 0.834,585 132.531,586 0.042,587 -0.006,588 0.107,589 -0.077,590 -0.11,591 0.012,592 0.361,593 0.263,594 0.014,595 0.062,596 0.411,597 -0.063,598 -0.116,599 -0.166,600 -0.155,601 -0.172,602 -0.019,603 -0.197,604 -0.237,605 -0.076,606 -0.102,607 0.009,608 -0.17,609 -0.019,610 -0.152,611 -0.175,612 0.127,613 -0.081,614 -0.183,615 0.15,616 0.305,617 0.255,618 -0.105,619 0.09,620 0.283,621 -0.102,622 -0.016,623 -0.023,624 0.016,625 0.007,626 -0.036,627 -0.031,628 -0.011,629 -0.196,630 -0.014,631 -0.12,632 0.014,633 0.001,634 5.903,635 5.59,636 0.63,637 22.593,638 1.059,639 1.148,640 3.223,641 10.385,642 0.713,643 3.401,644 3.784,645 3.951,646 4.159,647 4.357,648 4.419,649 4.454,650 4.489,651 4.443,652 4.489,653 6.036,654 0.714,655 416.84,656 3.401,657 4.977,658 5.808,659 6.706,660 7.562,661 8.457,662 9.323,663 10.218,664 11.088,665 11.983,666 10.3,671 1,674 1,676 2,681 9,682 2,686 5,687 1,688 17,702 1,703 39,705 19,706 2,707 29,709 41,710 16,711 14,712 5,713 7,717 3,718 3,719 1,721 1,726 1,729 14,730 2,733 2,736 1,737 2,744 1,745 3,747 12,748 8,749 1,750 11,751 2,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 1,803 3,805 27,808 1,810 1,811 1,816 1,822 1,824 4,825 5.1,828 2,832 15,833 6.921,834 5.653,835 2.019,836 3.041,837 1.432,838 1,839 5.36,840 10.088,841 3.701,842 4.36,843 4.827,844 5.355,845 5.801,846 6.001,847 6.292,848 6.524,849 6.69,850 6.999,851 1,852 40,853 10.909,854 5.661,855 8.56,856 17.796,857 14.614,859 3.06,860 82.611,864 129.482,865 114.28,866 51.385,867 39.149,868 44.313,869 44.88,870 5.807,871 108.473,872 212.944,873 96.265,875 2.106,876 81.189,877 105.693,878 69.884,879 11.771,880 105.94,881 46.908,882 129.482,883 159.858,884 89.193,885 44.956,887 129.482,888 89.193,891 20.689,892 89.56,893 94.565,895 174.362,896 95.698,897 153.429,899 5.807,900 137.242,901 16.285,902 86.205,903 16.405,904 161.545,905 129.482,906 140.578,907 153.429,909 0.603,910 0.326,911 0.16,912 0.088,913 21,914 10,915 0.122,916 5,918 1,919 3.709,920 230.124,922 17,923 121.627,927 1,928 19.526,929 7.412,930 4.735,932 138.802,933 11.064,934 7.462,938 -0.654,939 1.464,940 16.405,941 423.49,942 39.5,945 -4.268,946 25.181,952 41.302,953 44.786,954 0.409,955 0.714,956 0.852,957 0.948,958 0.958,959 0.958,960 4.965,961 1.268,962 5.883,963 4.235,964 4.466,965 5.047,966 3.063,967 6.767,968 4.312,969 6.241,970 1.149,971 7.507,972 3.666,973 4.443,974 5.182,975 3.903,976 8.138,977 4.083,978 7.612,979 1.086,980 9.252,981 2.549,982 6.229,983 7.368,984 5.421,985 11.108,986 5.896,987 9.023,988 0.618,989 11.069,990 2.496,991 6.957,992 8.273,993 6.69,994 13.232,995 6.423,996 10.466,997 0.327,998 12.933,999 1.372,1000 8.336,1001 10.021,1002 8.058,1003 15.859,1004 7.792,1005 11.931,1006 -0.259,1007 14.827,1008 0.812,1009 9.355,1010 11.26,1011 9.388,1012 18.231,1013 8.64,1014 13.415,1015 -0.587,1016 16.742,1017 -0.753,1018 10.608,1019 12.856,1020 10.734,1021 20.768,1022 9.843,1023 3.433,1024 -0.649,1025 18.673,1026 -1.516,1027 11.739,1028 14.25,1029 12.074,1030 23.225,1031 10.832,1032 3.272,1033 12.585,1034 20.614,1035 -1.62,1036 12.955,1037 15.796,1038 13.416,1039 25.739,1040 11.972,1041 2.878,1042 11.63,1043 22.564,1044 4.716,1045 14.131,1046 17.263,1047 14.758,1048 28.228,1049 13.025,1050 2.483,1051 9.222,1052 24.52,1053 3.906,1054 15.339,1055 18.796,1056 16.1,1057 30.738,1058 14.143,1059 2.097,1060 6.998,1061 26.481,1062 3.734,1063 16.535,1064 20.3,1065 17.441,1066 33.241,1067 15.228,1068 2,1069 5.856,1070 28.446,1071 3.456,1072 17.743,1073 21.834,1074 18.783,1075 35.752,1076 16.34,1077 1.513,1078 5.665,1079 30.413,1080 2.789,1081 18.949,1082 23.357,1083 20.124,1084 38.262,1085 17.441,1086 7898,1087 17132,1088 18.375,1089 27.818,1090 44.903,1091 44.55,1092 44.369,1093 44.676,1094 44.246,1095 59.342,1096 8.694,1097 134.172,1098 40.772,1099 5.728,1100 6.69,1101 6.94,1102 5.414,1103 5.433,1104 7.716,1105 5.335,1106 20.136,1107 5.128,1108 15.96,1109 1.548,1110 1.536,1111 1.53,1112 1.541,1113 1.526,1114 2.046,1115 0.3,1116 4.627,1117 1.406,1118 4.107,1119 4.102,1120 4.737,1121 4.083,1122 8.513,1123 4.009,1124 3.944,1125 3.984,1126 4.007,1127 3.859,1128 7.999,1129 3.853,1130 3.788,1131 3.84,1132 3.806,1133 3.581,1134 7.999,1135 3.596,1136 3.648,1137 3.624,1138 3.79,1139 3.537,1140 7.717,1141 3.487,1142 3.261,1143 3.304,1144 3.347,1145 2.985,1146 6.999,1147 3.017,1148 3.091,1149 3.148,1150 3.27,1151 2.969,1152 5.116,1153 2.963,1154 2.865,1155 2.926,1156 2.752,1157 2.735,1158 4.924,1159 2.725,1160 2.689,1161 2.753,1162 2.68,1163 2.518,1164 4.651,1165 2.507,1166 0.168,1167 0.162,1168 0.253,1169 0.15,1170 0.118,1171 4.868,1172 0.163,1173 4.69,1174 0.132,1175 7.326,1176 0.434,1177 4.347,1178 0.108,1179 3.433,1180 4.716,1181 3.825,1182 12.585,1183 3.128,1184 1.987,1185 1.992,1186 2.006,1187 2.065,1188 1.222,1189 2.09,1190 1.891,1191 1.87,1192 1.974,1193 1.98,1194 1.143,1195 1.985,1196 1.482,1197 1.49,1198 1.632,1199 1.714,1200 0.76,1201 1.7,1202 1.439,1203 1.407,1204 1.379,1205 1.606,1206 0.597,1207 1.624,1208 1.192,1209 1.117,1210 1.248,1211 1.486,1212 0.426,1213 1.449,1214 1.064,1215 1.025,1216 1.204,1217 1.382,1218 0.261,1219 1.31,1220 0.864,1221 0.807,1222 1.089,1223 1.045,1224 0.186,1225 1.075,1226 0.79,1227 0.725,1228 0.925,1229 1.031,1231 1.031,1232 4.078,1233 5.442,1234 2.398,1235 6.978,1236 4.443,1237 8.591,1238 6.26,1239 10.246,1242 5.94,1243 38.59,1247 0.192,1248 2.294,1253 -4.653,1257 27.841,1258 84.356,1259 147.195,1260 175.724,1261 195.376,1262 197.376,1263 197.376,1264 78.061,1265 7.047,1266 76.88,1267 85.26,1268 17,1269 12.514,1270 4.322,1271 3.524,1272 46.733,1273 97,1274 86,1275 0.235,1276 176.877,1277 307.97,1278 423.339,1279 10277,1280 10.3,1281 19.656,1282 0.728,1283 0.558,1284 17.906,1285 15.054,1286 12.649,1287 0.436,1288 0.322,1289 7.463,1290 10.868,1291 7.223,1292 5.925,1293 12.547,1294 9.338,1295 12.944,1296 0.301,1297 0.178,1298 12.695,1299 7.652,1300 9.305,1301 0.182,1302 0.102,1303 9.683,1304 5.19,1305 7.324,1306 0.116,1307 0.058,1308 8.07,1309 3.626,1310 5.698,1311 0.074,1312 0.035,1313 6.585,1314 2.689,1315 0.363,1316 92.477,1317 0.233,1318 25.615,1319 0.667,1320 144,1321 688.136,1322 224.69,1323 632.287,1324 807.09,1325 576,1326 166,1327 518.073,1328 243.514,1329 548.301,1330 809.49,1331 510,1332 6}
{0 CHEMBL2207092,1 1.949,2 9.4,3 3.099,4 9.606,5 98.274,6 10.104,7 0.63,8 3.747,9 3.831,10 3.724,11 3.393,12 4.992,13 3.364,14 4.225,15 4.336,16 4.002,17 3.754,18 5.685,19 3.716,20 4.444,21 4.592,22 4.018,23 3.866,24 5.734,25 3.782,26 4.505,27 4.677,28 4.053,29 3.815,30 5.841,31 3.739,32 4.465,33 4.626,34 4.133,35 3.778,36 5.872,37 3.736,38 4.446,39 4.585,40 4.069,41 3.724,42 6.113,43 3.698,44 4.275,45 4.443,46 3.865,47 3.666,48 5.616,49 3.583,50 4.207,51 4.387,52 3.721,53 3.523,54 5.605,55 3.452,56 0.149,57 0.605,58 5.431,59 3.226,60 20.121,61 2.906,62 0.38,63 0.903,64 8.533,65 5.092,66 47.656,67 4.954,68 0.41,69 1.056,70 17.164,71 7.384,72 48.819,73 7.045,74 0.556,75 1.108,76 20.185,77 7.857,78 75.632,79 7.188,80 0.539,81 1.056,82 26.715,83 8.033,84 83.459,85 7.099,86 0.836,87 0.971,88 19.047,89 6.41,90 132.528,91 5.454,92 0.416,93 0.845,94 13.919,95 5.977,96 51.736,97 6.455,98 0.452,99 0.719,100 18.236,101 5.838,102 53.17,103 6.538,104 18,105 38,106 0.343,107 0.668,108 0.804,109 0.897,110 0.897,111 0.897,112 3.267,113 0.999,114 -3.27,115 -3.25,116 -3.12,119 43.2,125 1,138 7,139 2,140 3,141 1,147 1,151 1,159 2,163 6,165 2,166 2,169 2,171 2,172 9,176 8,181 3,183 4,187 13,190 1,192 4,194 1,198 8,201 1,203 1,205 4,208 4,209 7,212 2,217 6,220 2,221 3,227 8,230 2,231 7,238 5,242 6,249 2,252 930,253 16.635,254 16.635,255 16.635,256 16.635,257 16.635,258 14.159,259 17.513,260 9.788,261 17.055,262 13.287,263 13.287,264 13.287,265 13.287,266 13.287,267 9.484,268 20.487,269 4.605,270 14.033,271 3.26,272 1.41,273 0.639,274 0.108,275 0.108,276 0.108,277 3.943,279 1,281 1,282 1,283 1,284 498,285 3.464,287 67.421,288 172.751,295 1.376,296 35.475,298 1,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 54.833,308 235,309 4.864,310 4.688,311 7.315,312 4.327,313 3.405,314 4.715,315 2.035,316 12.552,317 3.118,318 4.257,319 4.054,320 6.187,321 3.852,322 2.885,323 3.902,324 0.522,325 9.228,326 2.78,327 4.004,328 3.156,329 5.411,330 3.474,331 2.499,332 3.518,334 7.115,335 2.456,336 3.887,337 2.797,338 5.34,339 3.411,340 2.451,341 3.454,343 6.934,344 2.326,345 3.442,346 2.49,347 4.932,348 2.962,349 2.075,350 2.759,352 5.715,353 1.752,354 3.326,355 2.418,356 4.749,357 2.639,358 1.655,359 2.381,361 4.757,362 1.625,363 2.887,364 1.827,365 4.249,366 2.425,367 1.443,368 2.004,370 3.875,371 1.413,372 2.772,373 1.522,374 3.506,375 2.111,376 1.151,377 1.67,379 2.553,380 1.108,381 2.591,382 1.23,383 3.431,384 2.091,385 1.113,386 1.612,388 2.545,389 1.076,390 2.579,391 1.166,392 3.196,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 2.118,400 0.684,401 3,402 1.373,403 0.428,404 0.871,406 0.813,407 0.403,408 1.613,409 0.618,410 2.801,411 1.266,412 0.326,413 0.404,415 0.621,416 0.291,417 1.033,418 0.247,419 2.692,420 0.669,421 -0.259,422 -0.316,424 -0.753,425 -0.211,426 1,427 0.002,428 2.581,429 0.292,430 -0.587,431 -0.715,433 -1.437,434 -0.449,435 0.855,436 -0.051,437 2.349,438 0.262,439 -0.673,440 -0.998,442 -1.518,443 -0.638,444 12.214,445 0.489,446 0.697,447 0.028,448 38,449 1.52,450 22.5,451 0.9,452 15.5,453 0.62,454 16.1,455 0.644,456 25.586,457 0.692,458 28.367,459 1.135,460 7.433,461 0.297,462 4.542,463 0.182,464 0.146,465 0.068,466 0.237,472 0.457,473 1.088,474 0.659,475 1.098,476 0.595,477 0.804,478 0.641,479 1.056,480 0.779,481 0.913,482 0.52,483 0.903,484 1.085,485 1.134,486 1.168,487 1.178,488 0.906,489 1.154,490 1.262,491 1.02,492 1.078,493 1.074,494 1.268,495 1.023,496 1.359,497 1.071,498 1.019,499 1.119,500 1.366,501 0.843,502 1.318,503 0.78,504 1.153,505 0.949,506 1.433,507 1.006,508 0.787,509 0.961,510 0.919,511 0.975,512 0.783,513 1.049,514 0.979,515 0.928,516 1.204,517 0.975,518 0.852,519 1.028,520 6.5,521 0.054,522 2.889,523 1.785,524 1.728,525 0.972,526 0.573,527 0.42,528 0.243,529 0.115,530 6610,531 25321,532 2.028,533 32.4,535 9,536 1,537 1,538 1,542 1.685,543 1.887,544 3.223,545 -0.198,546 1,547 1,550 72.121,551 1.949,552 3.799,553 4.57,554 5.101,555 5.101,556 5.101,557 2.661,558 4.404,559 4.616,560 3.36,561 1008.11,562 8.011,563 12136.3,564 1,565 1,567 1,568 192.75,569 1.571,570 4.56,571 0.241,572 0.005,573 0.076,574 0.05,575 0.049,576 0.026,577 0.016,578 0.014,579 0.009,580 0.007,581 0.493,582 0.33,583 1,584 0.795,585 119.445,586 0.157,587 0.038,588 0.135,589 -0.092,590 -0.085,591 0.012,592 0.18,594 -0.028,595 -0.001,596 0.204,597 -0.067,598 -0.2,599 -0.156,600 -0.178,601 -0.145,602 -0.075,603 -0.185,604 -0.192,605 -0.029,606 -0.054,607 -0.001,608 -0.148,609 -0.027,610 -0.182,611 -0.086,612 0.083,613 0.021,614 -0.111,615 0.164,616 0.086,617 0.177,618 -0.131,619 -0.024,620 0.045,621 -0.12,622 0.09,623 -0.035,624 0.048,625 -0.011,626 0.024,627 -0.037,628 0.052,629 -0.077,630 -0.042,631 -0.04,632 0.044,633 0.024,634 4.786,635 5.637,636 0.68,637 20.144,638 1.03,639 1.12,640 2.037,641 4.148,642 0.743,643 3.332,644 3.664,645 3.871,646 4.094,647 4.277,648 4.29,649 4.357,650 4.369,651 4.344,652 4.344,653 5.73,654 0.72,655 373.85,656 3.332,657 4.875,658 5.707,659 6.586,660 7.44,661 8.322,662 9.185,663 10.068,664 10.936,665 11.82,666 13.5,671 1,674 1,675 1,676 2,681 9,682 2,686 5,687 1,688 17,689 1,702 1,703 37,705 20,706 2,707 27,709 39,710 16,711 14,712 5,713 7,717 3,718 3,719 1,728 1,729 14,730 1,733 2,736 1,737 2,743 1,744 1,747 12,748 6,749 1,750 9,751 2,755 5,760 1,761 2,775 1,776 2,796 3,799 1,802 1,805 25,808 1,810 1,811 1,818 1,821 1,822 1,823 1,824 1,825 5.4,828 2,832 13.25,833 6.693,834 5.486,835 1.962,836 3.208,837 1.466,838 0.996,839 4.937,840 10.088,841 3.701,842 4.321,843 4.827,844 5.355,845 5.801,846 6.001,847 6.292,848 6.524,849 6.69,850 6.999,851 1,852 36,853 9.44,854 4.302,855 8.134,856 16.882,857 13.721,859 2.634,860 65.861,864 129.482,865 123.123,866 82.444,867 39.149,868 44.313,870 5.807,871 117.315,872 212.944,873 82.444,875 2.106,876 81.189,877 122.294,878 56.063,879 11.771,880 105.94,881 39.149,882 129.482,883 199.76,884 44.313,885 44.956,887 129.482,888 44.313,891 43.989,892 106.162,893 94.565,895 129.482,896 126.757,897 162.271,899 5.807,900 129.482,901 16.285,902 86.205,903 33.007,904 147.724,905 129.482,906 126.757,907 162.271,909 0.583,910 0.332,911 0.172,912 0.094,913 18,914 8,915 0.128,916 5,918 1,919 3.627,920 204.526,922 17,923 114.096,927 1,928 17.283,929 7.141,930 4.109,932 124.981,933 13.899,934 7.597,938 1.668,939 1.567,940 16.405,941 418.511,942 39.5,945 -3.869,946 25.275,952 38.098,953 41.435,954 0.374,955 0.729,956 0.877,957 0.979,958 0.979,959 0.979,960 4.936,961 1.151,962 5.727,963 3.875,964 4.344,965 5.007,966 2.285,967 6.561,968 4.237,969 6.193,970 1.113,971 7.309,972 2.553,973 4.111,974 5.037,976 7.758,977 3.881,978 7.542,979 0.618,980 9.006,981 2.545,982 6.014,983 7.325,984 3.567,985 10.771,986 5.787,987 8.933,988 0.428,989 10.777,990 1.372,991 6.594,992 8.185,994 12.816,995 6.234,996 10.358,997 0.326,998 12.599,999 0.813,1000 8.018,1001 9.972,1002 4.963,1003 15.458,1004 7.642,1005 11.81,1006 -0.259,1007 14.457,1008 0.621,1009 8.951,1010 11.197,1012 17.813,1013 8.447,1014 13.282,1015 -0.587,1016 16.344,1017 -0.753,1018 10.214,1019 12.81,1020 6.378,1021 20.363,1022 9.666,1023 3.405,1024 -0.673,1025 18.251,1026 -1.437,1027 11.302,1028 14.201,1030 22.828,1031 10.634,1032 2.885,1033 12.552,1034 20.176,1035 -1.518,1036 12.516,1037 15.756,1038 7.797,1039 25.357,1040 11.782,1041 2.499,1042 9.228,1043 22.114,1044 4.715,1045 13.672,1046 17.226,1048 27.861,1049 12.828,1050 2.451,1051 7.115,1052 24.062,1053 3.902,1054 14.877,1055 18.765,1056 9.217,1057 30.387,1058 13.951,1059 2.075,1060 6.934,1061 26.018,1062 3.518,1063 16.064,1064 20.272,1066 32.906,1067 15.034,1068 1.655,1069 5.715,1070 27.981,1071 3.454,1072 17.271,1073 21.809,1074 10.638,1075 35.433,1076 16.151,1077 1.443,1078 4.757,1079 29.95,1080 2.759,1081 18.473,1082 23.335,1084 37.957,1085 17.254,1086 6488,1087 12852,1088 17.682,1089 27.489,1090 41.571,1091 43.754,1092 40.706,1093 40.317,1094 40.101,1095 56.433,1096 5.112,1097 116.161,1098 37.914,1099 5.72,1100 6.688,1101 6.93,1102 5.389,1103 5.405,1104 7.715,1105 4.069,1106 20.011,1107 5.118,1108 12.31,1109 1.54,1110 1.621,1111 1.508,1112 1.493,1113 1.485,1114 2.09,1115 0.189,1116 4.302,1117 1.404,1118 4.103,1119 4.098,1120 4.737,1121 4.083,1122 7.717,1123 4.007,1124 3.941,1125 3.98,1126 4.007,1127 3.859,1128 6.999,1129 3.852,1130 3.784,1131 3.836,1132 3.802,1133 3.581,1134 6.82,1135 3.595,1136 3.624,1137 3.599,1138 3.746,1139 3.537,1140 5.116,1141 3.483,1142 3.143,1143 3.197,1144 3.344,1145 2.994,1146 4.924,1147 3.005,1148 3.091,1149 3.148,1150 3.105,1151 2.977,1152 4.65,1153 2.962,1154 2.865,1155 2.926,1156 2.752,1157 2.735,1158 4.329,1159 2.725,1160 2.673,1161 2.738,1162 2.68,1163 2.522,1164 3.838,1165 2.506,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.864,1172 0.175,1173 4.688,1174 0.075,1175 7.315,1176 0.465,1177 4.327,1178 0.115,1179 3.405,1180 4.715,1181 2.035,1182 12.552,1183 3.118,1184 1.987,1185 1.992,1186 2.006,1187 2.06,1188 1.216,1189 2.088,1190 1.891,1191 1.87,1192 1.975,1193 1.971,1194 1.129,1195 1.982,1196 1.483,1197 1.491,1198 1.632,1199 1.71,1200 0.759,1201 1.697,1202 1.44,1203 1.407,1204 1.379,1205 1.58,1206 0.573,1207 1.617,1208 1.192,1209 1.117,1210 1.253,1211 1.486,1212 0.426,1213 1.449,1214 1.081,1215 1.035,1216 1.219,1217 1.264,1218 0.193,1219 1.25,1220 0.864,1221 0.807,1222 1.091,1223 1.045,1224 0.178,1225 1.075,1226 0.79,1227 0.725,1228 0.925,1229 1.031,1231 1.031,1232 4.007,1233 5.333,1234 2.398,1235 6.843,1236 4.443,1237 8.437,1238 6.26,1239 10.078,1242 6.009,1247 0.327,1248 2.525,1255 8.943,1256 1.922,1257 26.658,1258 72.121,1259 140.569,1260 169.098,1261 188.75,1262 188.75,1263 188.75,1264 54.745,1265 6.879,1266 100.67,1267 109.05,1268 17,1269 12.356,1270 4.392,1271 3.755,1272 41.513,1273 84,1274 87,1275 0.239,1276 174.222,1277 295.48,1278 416.86,1279 8297,1280 2.7,1281 17.864,1282 0.715,1283 0.575,1284 18.614,1285 14.367,1286 11.975,1287 0.444,1288 0.333,1289 7.188,1290 10.447,1291 6.889,1292 5.713,1293 13.085,1294 8.994,1295 11.155,1296 0.294,1297 0.191,1298 12.864,1299 7.266,1300 8.766,1301 0.187,1302 0.106,1303 10.107,1304 4.992,1305 7.01,1306 0.119,1307 0.06,1308 8.28,1309 3.519,1310 5.426,1311 0.076,1312 0.036,1313 6.763,1314 2.567,1315 0.367,1316 86.54,1317 0.238,1318 24.024,1319 0.68,1320 130,1321 455.448,1322 194.367,1323 497.691,1324 653.73,1325 454,1326 150,1327 427.482,1328 217.704,1329 479.389,1330 683.65,1331 446,1332 5.5}
{0 CHEMBL2207093,1 2.156,2 8.652,3 3.466,4 12.013,5 95.552,6 11.797,7 0.64,8 3.658,9 3.723,10 3.793,11 3.364,12 4.84,13 3.299,14 4.148,15 4.238,16 4.232,17 3.766,18 5.628,19 3.671,20 4.309,21 4.437,22 4.1,23 3.758,24 5.585,25 3.649,26 4.311,27 4.457,28 4.058,29 3.685,30 5.631,31 3.597,32 4.332,33 4.481,34 4.168,35 3.696,36 5.76,37 3.624,38 4.292,39 4.413,40 4.088,41 3.69,42 5.782,43 3.607,44 4.145,45 4.279,46 4.042,47 3.624,48 5.508,49 3.487,50 3.997,51 4.143,52 3.807,53 3.37,54 5.445,55 3.257,56 0.164,57 0.547,58 2.045,59 2.984,60 19.063,61 2.363,62 0.42,63 0.834,64 9.952,65 5.463,66 45.47,67 4.166,68 0.498,69 0.912,70 16.169,71 7.221,72 48.791,73 5.625,74 0.54,75 0.904,76 18.937,77 7.086,78 52.177,79 5.746,80 0.691,81 0.89,82 23.212,83 7.644,84 84.516,85 6.19,86 0.731,87 0.843,88 16.147,89 6.569,90 79.08,91 4.967,92 0.446,93 0.757,94 16.322,95 6.482,96 43.034,97 5.49,98 0.476,99 0.555,100 16.056,101 5.409,102 47.851,103 5.115,104 17,105 36,106 0.393,107 0.713,108 0.832,109 0.896,110 0.896,111 0.896,112 3.189,113 1.128,114 -3.68,115 -3.65,116 -3.47,119 39.4,125 1,138 5,139 1,140 2,141 1,147 1,149 2,159 2,163 3,165 2,166 1,169 2,171 2,172 9,176 6,181 3,183 3,187 10,190 1,192 3,194 1,198 7,201 1,203 1,205 4,208 2,209 7,212 1,217 4,220 2,221 3,227 7,230 2,231 4,238 3,242 4,249 2,252 759,253 15.057,254 15.057,255 15.057,256 15.057,257 15.057,258 12.75,259 15.79,260 8.799,261 15.841,262 12.36,263 12.36,264 12.36,265 12.36,266 12.36,267 8.912,268 18.708,269 4.232,270 13.791,271 2.889,272 1.129,273 0.473,274 0.121,275 0.121,276 0.121,277 3.86,279 1,280 1,281 1,282 1,283 1,284 424,285 3.317,287 127.397,288 80.667,295 1.233,296 32.219,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 50.667,308 199,309 4.867,310 4.689,311 7.316,312 4.309,313 3.409,314 4.72,315 0.522,316 12.554,317 3.071,318 4.257,319 3.158,320 6.188,321 3.846,322 2.886,323 3.903,325 9.228,326 2.754,327 3.894,328 2.894,329 5.368,330 3.427,331 2.491,332 3.46,334 7.017,335 2.332,336 3.845,337 2.797,338 5.249,339 3.224,340 2.393,341 3.41,343 6.608,344 1.951,345 3.436,346 2.458,347 4.929,348 2.957,349 2.071,350 2.756,352 5.707,353 1.749,354 2.9,355 1.84,356 4.572,357 2.489,358 1.542,359 2.04,361 4.335,362 1.452,363 2.767,364 1.507,365 4.202,366 2.173,367 1.298,368 1.842,370 3.632,371 1.077,372 2.579,373 1.223,374 3.431,375 2.092,376 1.148,377 1.612,379 2.548,380 1.047,381 2.18,382 0.814,383 3.284,384 1.604,385 0.687,386 1.02,388 1.672,389 0.609,390 2.118,391 0.678,392 3.149,393 1.562,394 0.618,395 0.927,397 1.372,398 0.579,399 1.613,400 0.618,401 3,402 1.262,403 0.324,404 0.402,406 0.807,407 0.288,408 1.033,409 0.251,410 2.768,411 0.663,412 -0.264,413 -0.323,415 -0.767,416 -0.213,417 1,418 0.05,419 2.53,420 0.262,421 -0.587,422 -0.715,424 -1.517,425 -0.403,426 0.68,427 -0.246,428 2.349,430 -0.757,431 -0.891,433 -1.802,434 -0.452,435 0.488,436 -0.358,437 2.109,439 -1,440 -1.374,442 -3,443 -1,444 11.862,445 0.516,446 0.735,447 0.032,448 32,449 1.391,450 17.5,451 0.761,452 14.5,453 0.63,454 17.462,455 0.759,456 24.138,457 0.731,458 22.061,459 0.959,460 6.083,461 0.264,462 4.855,463 0.211,464 0.177,465 0.07,466 0.244,472 0.486,473 1.055,474 0.64,475 0.958,476 0.643,477 0.736,478 0.651,479 1.038,480 0.604,481 0.726,482 0.558,483 0.801,484 1.131,485 1.181,486 1.127,487 1.207,488 1.066,489 1.155,490 1.142,491 1.076,492 0.875,493 1.004,494 1.174,495 1.032,496 1.056,497 0.872,498 0.789,499 0.88,500 1.223,501 0.796,502 1.175,503 0.832,504 1.075,505 0.956,506 1.418,507 1.007,508 0.82,509 1.096,510 0.979,511 1.112,512 0.831,513 1.087,514 1.146,515 1.013,516 1.263,517 1.017,518 1.038,519 1.053,520 6.5,521 0.033,522 2.889,523 1.66,524 1.703,525 0.639,526 0.587,527 0.424,528 0.23,529 0.074,530 5289,531 23088,532 2.031,533 30.3,535 7,536 1,537 1,538 1,542 1.663,543 1.878,544 3.108,545 -0.112,547 1,550 71.14,551 2.156,552 3.915,553 4.571,554 4.923,555 4.923,556 4.923,557 2.496,558 3.969,559 4.496,560 3.242,561 820.265,562 7.77,563 9292.4,564 1,565 1,567 1,568 166.465,569 1.631,570 4.433,571 0.26,572 0.006,573 0.08,574 0.054,575 0.055,576 0.019,577 0.019,578 0.016,579 0.011,580 0.007,581 0.527,582 0.33,583 1,584 0.636,585 106.378,586 0.115,587 0.069,588 0.061,589 -0.058,590 -0.131,591 0.023,592 0.147,593 0.039,594 0.135,595 0.164,596 0.24,597 -0.001,598 -0.219,599 -0.19,600 -0.171,601 -0.197,602 -0.132,603 -0.191,604 -0.168,605 -0.087,606 -0.03,607 -0.056,608 -0.103,609 -0.072,610 0.024,611 0.084,612 0.125,613 0.106,614 0.016,615 0.212,616 -0.03,617 0.128,618 -0.149,619 -0.021,620 -0.131,621 -0.092,622 0.064,623 -0.118,624 0.028,625 -0.058,626 0.039,627 -0.067,628 -0.023,629 -0.166,630 -0.081,631 -0.049,632 0.023,633 0.007,634 4.647,635 5.444,636 0.696,637 16.783,638 1.042,639 1.115,640 2.45,641 6,642 0.788,643 3.258,644 3.611,645 3.807,646 4.043,647 4.159,648 4.19,649 4.19,650 4.29,651 4.248,652 4.19,653 5.348,654 0.747,655 389.31,656 3.258,657 4.812,658 5.645,659 6.532,660 7.388,661 8.276,662 9.141,663 10.028,664 10.899,665 11.786,666 12.1,671 1,674 1,676 2,681 7,682 2,685 1,686 5,687 1,688 16,702 2,703 33,705 18,706 1,707 25,709 35,710 13,711 12,712 3,713 3,717 3,718 3,719 2,729 12,730 1,733 2,736 1,737 2,744 1,747 10,748 5,749 1,750 10,751 4,755 4,760 1,761 2,775 2,776 1,796 3,799 2,802 2,805 23,808 1,810 1,811 1,820 1,822 1,824 2,825 6.1,828 2,832 12.25,833 5.886,834 4.903,835 1.69,836 2.747,837 1.411,838 1.008,839 4.916,840 9.429,841 3.584,842 4.248,843 4.723,844 5.263,845 5.566,846 5.772,847 5.926,848 6.354,849 6.563,850 6.795,851 0.833,852 31,853 8.69,854 3.982,855 8.079,856 15.659,857 12.903,859 2.579,860 59.306,864 105.94,865 115.783,866 51.385,867 78.297,868 44.313,870 37.085,871 78.698,872 228.55,873 51.385,875 2.106,876 62.236,877 105.693,878 21.94,879 50.92,880 113.675,881 39.149,882 105.94,883 130.083,884 44.313,885 115.382,887 105.94,888 44.313,891 14.603,892 65.872,893 94.565,894 70.426,895 105.94,896 95.698,897 194.081,899 5.807,900 105.94,901 44.5,902 67.253,903 16.405,904 155.814,905 105.94,906 95.698,907 194.081,909 0.593,910 0.329,911 0.171,912 0.09,913 18,914 8,915 0.143,916 5,918 1,919 3.466,920 183.128,922 16,923 102.042,924 1,927 1,928 16.706,929 6.769,930 4.038,932 93.921,933 11.211,934 7.6,937 0.984,938 2.061,939 1.586,940 16.405,941 395.718,942 35,945 -3.731,946 24.887,952 34.396,953 36.801,954 0.427,955 0.776,956 0.906,957 0.976,958 0.976,959 0.976,960 4.82,961 1.148,962 5.68,963 3.632,964 4.29,965 4.934,966 0.434,967 6.524,968 4.097,969 6.082,970 0.687,971 7.269,972 2.548,973 4.111,974 5.037,976 7.735,977 3.758,978 7.441,979 0.618,980 8.972,981 1.672,982 5.974,983 7.268,984 0.138,985 10.749,986 5.613,987 8.844,988 0.324,989 10.748,990 1.372,991 6.594,992 8.188,994 12.805,995 6.089,996 10.281,997 -0.264,998 12.574,999 0.807,1000 7.995,1001 9.934,1002 0.039,1003 15.448,1004 7.459,1005 11.743,1006 -0.587,1007 14.436,1008 -0.767,1009 8.951,1010 11.198,1012 17.808,1013 8.283,1014 13.225,1015 -0.757,1016 16.326,1017 -1.517,1018 10.204,1019 12.789,1020 0.011,1021 20.36,1022 9.479,1023 3.409,1024 -1,1025 18.237,1026 -1.802,1027 11.304,1028 14.204,1030 22.827,1031 10.456,1032 2.886,1033 12.554,1034 20.165,1035 -3,1036 12.516,1037 15.748,1038 0.003,1039 25.357,1040 11.588,1041 2.491,1042 9.228,1043 22.105,1044 4.72,1045 13.679,1046 17.231,1048 27.862,1049 12.633,1050 2.393,1051 7.017,1052 24.056,1053 3.903,1054 14.884,1055 18.766,1056 0.001,1057 30.389,1058 13.744,1059 2.071,1060 6.608,1061 26.014,1062 3.46,1063 16.075,1064 20.281,1066 32.908,1067 14.821,1068 1.542,1069 5.707,1070 27.978,1071 3.41,1072 17.283,1073 21.818,1075 35.435,1076 15.926,1077 1.298,1078 4.335,1079 29.948,1080 2.756,1081 18.488,1082 23.348,1084 37.96,1085 17.018,1086 5178,1087 10999,1088 16.296,1089 25.989,1090 38.113,1091 38.706,1092 38.018,1093 38.092,1094 37.735,1095 52.185,1096 1.043,1097 110.963,1098 33.817,1099 5.728,1100 6.689,1101 6.931,1102 5.478,1103 5.409,1104 7.72,1105 1.043,1106 20.04,1107 5.071,1108 11.59,1109 1.525,1110 1.548,1111 1.521,1112 1.524,1113 1.509,1114 2.087,1115 0.042,1116 4.439,1117 1.353,1118 4.089,1119 4.08,1120 4.793,1121 4.12,1122 7.717,1123 3.999,1124 3.93,1125 3.953,1126 4.162,1127 3.867,1128 6.999,1129 3.844,1130 3.774,1131 3.817,1132 4.002,1133 3.56,1134 5.117,1135 3.592,1136 3.53,1137 3.499,1138 3.801,1139 3.501,1140 4.926,1141 3.391,1142 3.091,1143 3.148,1144 3.346,1145 2.981,1146 4.884,1147 2.964,1148 2.852,1149 2.904,1150 3.163,1151 2.723,1152 4.332,1153 2.709,1154 2.566,1155 2.631,1156 2.743,1157 2.432,1158 4.14,1159 2.367,1160 2.446,1161 2.46,1162 2.682,1163 2.37,1164 3.825,1165 2.322,1166 0.195,1167 0.188,1168 0.293,1169 0.172,1170 0.136,1171 4.867,1172 0.189,1173 4.689,1174 0.021,1175 7.316,1176 0.502,1177 4.309,1178 0.123,1179 3.409,1180 4.72,1181 0.522,1182 12.554,1183 3.071,1184 1.936,1185 1.926,1186 1.996,1187 2.03,1188 1.197,1189 2.044,1190 1.688,1191 1.735,1192 1.634,1193 1.775,1194 0.923,1195 1.825,1196 1.472,1197 1.41,1198 1.607,1199 1.676,1200 0.749,1201 1.673,1202 1.404,1203 1.402,1204 1.379,1205 1.487,1206 0.6,1207 1.514,1208 1.192,1209 1.118,1210 1.233,1211 1.471,1212 0.426,1213 1.449,1214 0.98,1215 0.976,1216 1.035,1217 1.078,1218 0.234,1219 1.134,1220 0.815,1221 0.765,1222 0.899,1223 1.036,1224 0.03,1225 1.042,1226 0.717,1227 0.691,1228 0.782,1229 0.88,1231 0.941,1232 3.932,1233 5.273,1234 3.045,1235 6.779,1236 5.209,1237 8.364,1238 7.125,1239 9.996,1242 11.797,1247 0.361,1248 2.548,1257 24.652,1258 71.14,1259 129.204,1260 150.855,1261 162.465,1262 162.465,1263 162.465,1264 46.981,1265 6.682,1266 76.88,1267 113.5,1268 16,1269 12.32,1270 4.248,1271 3.459,1272 36.599,1273 71,1274 72,1275 0.247,1276 166.896,1277 274.22,1278 398.987,1279 6287,1280 6.1,1281 16.449,1282 0.715,1283 0.636,1284 18.053,1285 14.624,1286 10.937,1287 0.437,1288 0.376,1289 6.51,1290 8.875,1291 6.125,1292 5.042,1293 12.744,1294 9.402,1295 10.632,1296 0.295,1297 0.24,1298 13.615,1299 8.627,1300 8.101,1301 0.184,1302 0.142,1303 10.754,1304 6.257,1305 6.555,1306 0.117,1307 0.083,1308 9.005,1309 4.657,1310 4.775,1311 0.076,1312 0.055,1313 7.463,1314 3.481,1315 0.377,1316 87.217,1317 0.248,1318 22.307,1319 0.71,1320 122,1321 438.867,1322 238.915,1323 525.238,1324 683.73,1325 480,1326 141,1327 412.679,1328 240.898,1329 486.676,1330 703.63,1331 453,1332 5.4}
{0 CHEMBL2207094,1 2.214,2 8.75,3 4.13,4 17.06,5 100.357,6 12.841,7 0.615,8 3.666,9 3.722,10 3.856,11 3.393,12 4.868,13 3.329,14 4.158,15 4.236,16 4.312,17 3.805,18 5.658,19 3.712,20 4.328,21 4.434,22 4.376,23 3.84,24 5.68,25 3.722,26 4.316,27 4.457,28 4.182,29 3.72,30 5.622,31 3.624,32 4.348,33 4.479,34 4.325,35 3.728,36 5.907,37 3.671,38 4.301,39 4.412,40 4.139,41 3.719,42 5.804,43 3.635,44 4.155,45 4.278,46 4.138,47 3.669,48 5.545,49 3.537,50 4.02,51 4.139,52 3.987,53 3.465,54 5.51,55 3.356,56 0.187,57 0.537,58 2.461,59 2.782,60 22.746,61 2.074,62 0.462,63 0.819,64 10.773,65 5.16,66 51.046,67 3.735,68 0.599,69 0.889,70 21.89,71 7.121,72 60.356,73 5.144,74 0.607,75 0.896,76 22.061,77 7.055,78 64.92,79 5.593,80 0.814,81 0.874,82 25.199,83 7.794,84 100.199,85 6.257,86 0.785,87 0.834,88 17.847,89 6.569,90 86.924,91 4.681,92 0.498,93 0.747,94 17.748,95 6.452,96 49.512,97 5.243,98 0.551,99 0.535,100 19.446,101 5.437,102 56.757,103 4.856,104 26,105 38,106 0.403,107 0.729,108 0.841,109 0.896,110 0.896,111 0.896,112 3.229,113 1.141,114 -3.93,115 -3.88,116 -3.68,119 39.4,125 1,138 4,139 1,140 3,141 1,147 1,149 2,159 2,163 2,165 2,166 1,169 2,171 2,172 8,176 6,181 3,183 5,187 8,190 1,192 2,194 1,198 9,201 1,203 2,205 4,208 2,209 7,212 1,217 2,220 2,221 3,227 8,230 2,231 3,238 2,242 4,249 4,252 836,253 15.557,254 15.557,255 15.557,256 15.557,257 15.557,258 13.198,259 16.356,260 8.975,261 16.429,262 12.828,263 12.828,264 12.828,265 12.828,266 12.828,267 9.298,268 19.439,269 4.304,270 14.491,271 2.83,272 1.038,273 0.424,274 0.121,275 0.121,276 0.121,277 3.898,279 2,280 1,282 1,283 1,284 445,285 3.391,287 133.745,288 85.046,295 1.271,296 36.042,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 53,308 210,309 4.877,310 4.692,311 7.323,312 4.319,313 3.422,314 4.734,315 0.522,316 12.587,317 3.073,318 4.267,319 3.28,320 6.194,321 3.854,322 2.9,323 3.914,325 9.251,326 2.756,327 4.101,328 3.151,329 5.918,330 3.521,331 2.683,332 3.719,334 8.162,335 2.334,336 3.887,337 2.797,338 5.354,339 3.415,340 2.478,341 3.455,343 6.982,344 2.127,345 3.437,346 2.459,347 4.933,348 2.96,349 2.074,350 2.757,352 5.714,353 1.749,354 2.921,355 2.117,356 4.754,357 2.503,358 1.559,359 2.065,361 4.561,362 1.463,363 2.799,364 1.831,365 4.241,366 2.198,367 1.307,368 1.889,370 3.754,371 1.094,372 2.601,373 1.465,374 4,375 2.092,376 1.247,377 1.635,379 3.27,380 1.075,381 2.579,382 1.221,383 3.431,384 1.955,385 1.148,386 1.612,388 2.548,389 0.811,390 2.118,391 0.686,392 3.199,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.613,400 0.618,401 3,402 1.264,403 0.326,404 0.403,406 0.81,407 0.29,408 1.033,409 0.3,410 2.79,411 0.664,412 -0.263,413 -0.322,415 -0.766,416 -0.213,417 1,418 0.155,419 2.601,420 0.262,421 -0.445,422 -0.528,424 -1.056,425 -0.237,426 0.773,427 0.031,428 2.349,429 0.15,430 -0.587,431 -0.715,433 -1.517,434 -0.449,435 0.68,436 -0.271,437 2.109,439 -1,440 -1.179,442 -2.568,443 -0.563,444 12.576,445 0.524,446 0.824,447 0.034,448 32.75,449 1.365,450 17.5,451 0.729,452 15.25,453 0.635,454 19.815,455 0.826,456 25.224,457 0.764,458 22.828,459 0.951,460 6.17,461 0.257,462 5.178,463 0.216,464 0.223,465 0.066,466 0.27,472 0.513,473 1.052,474 0.622,475 0.921,476 0.65,477 0.697,478 0.68,479 1.03,480 0.603,481 0.683,482 0.574,483 0.749,484 1.087,485 1.175,486 0.963,487 1.11,488 1.056,489 1.109,490 1.063,491 1.078,492 0.712,493 0.925,494 1.186,495 1.017,496 0.818,497 0.895,498 0.738,499 0.957,500 1.008,501 0.809,502 1.174,503 0.836,504 1.064,505 0.975,506 1.416,507 1.055,508 0.834,509 1.09,510 0.934,511 1.068,512 0.83,513 1.046,514 1.267,515 0.989,516 1.345,517 0.995,518 1.109,519 1.01,520 7,521 0.066,522 3.333,523 1.882,524 1.943,525 0.663,526 0.643,527 0.496,528 0.288,529 0.13,530 5866,531 27955,532 2.005,533 27.3,535 6,536 1,537 1,538 1,542 1.674,543 1.834,544 3.138,545 -0.095,547 1,550 73.075,551 2.214,552 4.006,553 4.62,554 4.923,555 4.923,556 4.923,557 2.507,558 3.668,559 4.558,560 3.287,561 907.281,562 7.893,563 10592.1,565 1,567 1,568 166.465,569 1.697,570 4.483,571 0.269,572 0.008,573 0.088,574 0.055,575 0.061,576 0.018,577 0.02,578 0.018,579 0.012,580 0.009,581 0.559,582 0.33,583 1,584 0.663,585 112.751,586 0.086,587 0.074,588 0.029,589 -0.064,590 -0.126,591 0.022,592 0.099,593 0.051,594 0.105,595 0.186,596 0.219,597 0.03,598 -0.168,599 -0.184,600 -0.007,601 -0.102,602 -0.12,603 -0.147,604 -0.139,605 -0.076,606 0.087,607 0.037,608 -0.141,609 -0.015,610 0.24,611 0.067,612 0.17,613 0.043,614 0.215,615 0.228,616 -0.093,617 0.133,618 -0.188,619 -0.035,620 -0.172,621 -0.123,622 0.036,623 -0.106,624 0.028,625 -0.016,626 0.035,627 -0.004,628 -0.138,629 -0.146,630 -0.153,631 -0.018,632 -0.044,633 0.055,634 4.754,635 5.537,636 0.667,637 18.139,638 1.052,639 1.113,640 2.699,641 7.284,642 0.814,643 3.296,644 3.664,645 3.871,646 4.094,647 4.248,648 4.263,649 4.234,650 4.357,651 4.344,652 4.304,653 5.508,654 0.772,655 423.75,656 3.296,657 4.86,658 5.7,659 6.592,660 7.456,661 8.347,662 9.221,663 10.112,664 10.991,665 11.883,666 12.1,671 1,674 1,676 2,681 6,682 2,685 1,686 6,687 1,688 16,702 3,703 33,705 18,706 1,707 26,709 35,710 13,711 12,712 3,713 3,717 3,718 3,719 3,729 12,730 1,733 2,736 1,737 2,744 1,747 9,748 5,749 1,750 11,751 5,755 4,760 1,761 2,775 2,776 1,796 3,799 2,802 3,805 24,808 1,810 1,811 1,820 1,822 1,824 3,825 6.1,828 2,832 13.083,833 5.945,834 5.097,835 1.677,836 2.772,837 1.409,838 1.005,839 5.366,840 9.556,841 3.611,842 4.29,843 4.775,844 5.308,845 5.657,846 5.845,847 5.953,848 6.394,849 6.623,850 6.869,851 0.833,852 34,853 9.078,854 4.197,855 8.128,856 16.22,857 13.385,859 2.628,860 63.083,864 94.169,865 109.808,866 51.385,867 117.446,868 44.313,870 37.085,871 72.723,872 255.928,873 51.385,875 2.106,876 52.76,877 105.693,878 25.441,879 50.92,880 101.904,881 78.297,882 94.169,883 124.108,884 44.313,885 154.531,887 94.169,888 44.313,891 14.603,892 59.896,893 133.713,894 70.426,895 94.169,896 95.698,897 227.254,899 5.807,900 94.169,901 48,902 57.776,903 16.405,904 194.962,905 94.169,906 95.698,907 227.254,909 0.599,910 0.338,911 0.169,912 0.093,913 19,914 9,915 0.143,916 5,918 1,919 3.514,920 195.341,922 16,923 108.039,924 1,927 1,928 17.95,929 7.175,930 4.229,932 93.921,933 9.433,934 7.589,937 0.878,938 1.851,939 1.569,940 16.405,941 417.12,942 36,945 -3.837,946 25.075,952 34.72,953 36.745,954 0.439,955 0.794,956 0.916,957 0.976,958 0.976,959 0.976,960 4.86,961 1.247,962 5.746,963 3.754,964 4.344,965 4.977,966 0.434,967 6.603,968 4.123,969 6.131,970 1.148,971 7.348,972 3.27,973 4.205,974 5.121,976 7.811,977 3.813,978 7.498,979 0.618,980 9.061,981 2.548,982 6.043,983 7.323,984 0.138,985 10.831,986 5.641,987 8.906,988 0.326,989 10.842,990 1.372,991 6.686,992 8.264,994 12.866,995 6.126,996 10.347,997 -0.263,998 12.669,999 0.81,1000 8.076,1001 10,1002 0.039,1003 15.51,1004 7.485,1005 11.813,1006 -0.445,1007 14.529,1008 -0.766,1009 9.041,1010 11.273,1012 17.855,1013 8.31,1014 13.297,1015 -0.587,1016 16.414,1017 -1.056,1018 10.289,1019 12.858,1020 0.011,1021 20.406,1022 9.5,1023 3.422,1024 -1,1025 18.319,1026 -1.517,1027 11.39,1028 14.275,1030 22.865,1031 10.476,1032 2.9,1033 12.587,1034 20.239,1035 -2.568,1036 12.599,1037 15.816,1038 0.003,1039 25.396,1040 11.604,1041 2.683,1042 9.251,1043 22.173,1044 4.734,1045 13.76,1046 17.298,1048 27.898,1049 12.649,1050 2.478,1051 8.162,1052 24.116,1053 3.914,1054 14.963,1055 18.83,1056 0.001,1057 30.426,1058 13.757,1059 2.074,1060 6.982,1061 26.069,1062 3.719,1063 16.153,1064 20.344,1066 32.946,1067 14.834,1068 1.559,1069 5.714,1070 28.028,1071 3.455,1072 17.361,1073 21.879,1075 35.475,1076 15.938,1077 1.307,1078 4.561,1079 29.992,1080 2.757,1081 18.566,1082 23.41,1084 38.001,1085 17.031,1086 5769,1087 12800,1088 16.701,1089 26.847,1090 39.942,1091 40.924,1092 40.386,1093 39.992,1094 39.526,1095 54.221,1096 1.043,1097 118.026,1098 34.758,1099 5.738,1100 6.692,1101 6.937,1102 5.493,1103 5.422,1104 7.734,1105 1.043,1106 20.183,1107 5.073,1108 13.403,1109 1.536,1110 1.574,1111 1.553,1112 1.538,1113 1.52,1114 2.085,1115 0.04,1116 4.539,1117 1.337,1118 4.091,1119 4.08,1120 4.798,1121 4.127,1122 7.717,1123 4.005,1124 3.932,1125 3.952,1126 4.227,1127 3.87,1128 6.999,1129 3.849,1130 3.775,1131 3.817,1132 4.004,1133 3.563,1134 5.117,1135 3.592,1136 3.54,1137 3.497,1138 3.801,1139 3.515,1140 5.01,1141 3.409,1142 3.091,1143 3.148,1144 3.452,1145 2.981,1146 4.922,1147 2.964,1148 2.852,1149 2.904,1150 3.345,1151 2.725,1152 4.467,1153 2.711,1154 2.567,1155 2.631,1156 3.154,1157 2.478,1158 4.331,1159 2.367,1160 2.449,1161 2.46,1162 2.743,1163 2.378,1164 3.933,1165 2.341,1166 0.188,1167 0.18,1168 0.282,1169 0.166,1170 0.132,1171 4.877,1172 0.182,1173 4.692,1174 0.02,1175 7.323,1176 0.484,1177 4.319,1178 0.118,1179 3.422,1180 4.734,1181 0.522,1182 12.587,1183 3.073,1184 1.935,1185 1.926,1186 1.996,1187 2.03,1188 1.197,1189 2.044,1190 1.686,1191 1.736,1192 1.632,1193 1.771,1194 0.921,1195 1.822,1196 1.471,1197 1.41,1198 1.501,1199 1.673,1200 0.748,1201 1.672,1202 1.384,1203 1.404,1204 1.379,1205 1.486,1206 0.547,1207 1.45,1208 1.192,1209 1.118,1210 1.209,1211 1.409,1212 0.426,1213 1.445,1214 0.98,1215 0.976,1216 0.992,1217 1.074,1218 0.234,1219 1.132,1220 0.815,1221 0.765,1222 0.876,1223 1.036,1224 0.029,1225 1.042,1226 0.717,1227 0.691,1228 0.749,1229 0.878,1231 0.941,1232 3.97,1233 5.323,1234 3.045,1235 6.841,1236 5.283,1237 8.435,1238 7.261,1239 10.073,1242 17.674,1247 0.334,1248 2.516,1257 25.479,1258 73.075,1259 132.2,1260 152.465,1261 162.465,1262 162.465,1263 162.465,1264 53.932,1265 6.784,1266 76.88,1267 113.5,1268 16,1269 12.413,1270 4.248,1271 3.459,1272 39.034,1273 77,1274 70,1275 0.245,1276 175.229,1277 289.43,1278 419.319,1279 7148,1280 9.1,1281 17.32,1282 0.722,1283 0.653,1284 19.423,1285 15.681,1286 11.348,1287 0.436,1288 0.38,1289 6.646,1290 9.042,1291 6.225,1292 5.106,1293 13.444,1294 9.885,1295 11.14,1296 0.293,1297 0.24,1298 14.43,1299 9.102,1300 8.69,1301 0.185,1302 0.148,1303 12.08,1304 6.948,1305 6.735,1306 0.114,1307 0.086,1308 9.578,1309 5.072,1310 5.181,1311 0.075,1312 0.058,1313 8.492,1314 4.015,1315 0.374,1316 92.856,1317 0.245,1318 23.126,1319 0.701,1320 128,1321 473.07,1322 260.434,1323 587.542,1324 755.84,1325 536,1326 149,1327 440.542,1328 271.299,1329 524.952,1330 762.45,1331 488,1332 6.4}
{0 CHEMBL2207095,1 1.963,2 9.423,3 4.082,4 16.665,5 107.82,6 10.383,7 0.724,8 3.814,9 3.889,10 3.843,11 3.52,12 4.963,13 3.459,14 4.309,15 4.409,16 4.157,17 3.913,18 5.706,19 3.839,20 4.499,21 4.639,22 4.216,23 4.008,24 5.688,25 3.882,26 4.558,27 4.704,28 4.255,29 3.956,30 5.84,31 3.855,32 4.525,33 4.685,34 4.163,35 3.877,36 5.823,37 3.79,38 4.502,39 4.638,40 4.151,41 3.824,42 5.988,43 3.774,44 4.351,45 4.504,46 4.024,47 3.807,48 5.645,49 3.694,50 4.268,51 4.417,52 4.009,53 3.714,54 5.59,55 3.591,56 0.143,57 0.623,58 5.395,59 3.583,60 15.668,61 3.264,62 0.369,63 0.974,64 9.955,65 5.989,66 42.748,67 5.685,68 0.374,69 1.132,70 20.78,71 8.718,72 39.565,73 7.873,74 0.473,75 1.22,76 23.221,77 9.431,78 41.584,79 8.202,80 0.502,81 1.153,82 31.208,83 9.886,84 57.433,85 8.533,86 0.803,87 1.05,88 21.635,89 7.68,90 93.224,91 6.043,92 0.441,93 0.936,94 16.003,95 7.078,96 50.694,97 6.922,98 0.408,99 0.82,100 23.843,101 7.354,102 41.126,103 7.229,104 10,105 42,106 0.34,107 0.663,108 0.802,109 0.89,110 0.899,111 0.899,112 3.305,113 1.074,114 -4,115 -3.95,116 -3.74,119 43.6,125 1,138 7,139 2,140 3,141 1,147 2,148 1,159 2,163 6,165 2,166 1,169 2,171 2,172 11,176 4,181 2,183 6,187 12,190 1,192 4,194 2,198 9,201 1,203 2,205 2,208 2,209 9,212 1,214 1,217 5,220 2,221 2,227 8,230 2,231 4,238 8,242 5,249 5,252 976,253 17.471,254 17.471,255 17.471,256 17.471,257 17.471,258 14.654,259 14.189,260 10.249,261 18.05,262 14.352,263 14.352,264 14.352,265 14.352,266 14.352,267 10.141,268 17.601,269 4.901,270 15.361,271 3.323,272 1.458,273 0.658,274 0.154,275 0.103,276 0.103,277 3.997,279 1,282 1,283 1,284 539,285 3.391,287 121.405,288 153.052,291 102.293,295 1.346,296 31.484,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 56.333,308 245,309 4.933,310 4.709,311 7.439,312 4.398,313 3.477,314 4.862,315 0.522,316 13.087,317 3.178,318 4.339,319 3.16,320 6.302,321 3.895,322 2.928,323 4.161,325 9.554,326 2.826,327 4.21,328 2.821,329 6.121,330 3.681,331 2.73,332 3.88,334 8.917,335 2.59,336 3.887,337 2.795,338 5.354,339 3.419,340 2.478,341 3.456,343 6.983,344 2.326,345 3.438,346 2.452,347 4.941,348 2.961,349 2.074,350 2.759,352 5.716,353 1.751,354 3.145,355 1.816,356 4.885,357 2.64,358 1.661,359 2.437,361 4.992,362 1.621,363 3.045,364 1.553,365 4.34,366 2.469,367 1.545,368 2.316,370 4.021,371 1.428,372 2.87,373 1.536,374 4.104,375 2.432,376 1.455,377 2.005,379 3.552,380 1.397,381 2.58,382 1.228,383 3.59,384 2.093,385 1.15,386 1.612,388 2.611,389 1.077,390 2.564,391 1.117,392 3.431,393 2.001,394 1.061,395 1.587,397 2.548,398 0.979,399 2.118,400 0.715,401 3.273,402 1.604,403 0.618,404 0.927,406 1.372,407 0.609,408 1.985,409 0.651,410 3.021,411 1.386,412 0.501,413 0.731,415 1.208,416 0.432,417 1.613,418 0.618,419 3,420 1.256,421 0.318,422 0.398,424 0.788,425 0.283,426 1.033,427 0.126,428 2.758,429 0.664,430 -0.265,431 -0.325,433 -0.767,434 -0.215,435 1,436 -0.112,437 2.52,438 0.262,439 -0.587,440 -0.715,442 -1.517,443 -0.45,444 13.148,445 0.506,446 0.731,447 0.028,448 37.75,449 1.452,450 21.5,451 0.827,452 16.25,453 0.625,454 19.101,455 0.735,456 26.452,457 0.678,458 27.288,459 1.05,460 7.21,461 0.277,462 5.316,463 0.204,464 0.105,465 0.063,466 0.259,472 0.444,473 0.988,474 0.667,475 0.961,476 0.628,477 0.757,478 0.638,479 0.995,480 0.826,481 0.878,482 0.54,483 0.861,484 1.077,485 1.023,486 1.009,487 0.98,488 0.999,489 1.046,490 1.127,491 1.157,492 1.077,493 1.246,494 1.217,495 1.085,496 1.355,497 1.061,498 1.083,499 1.13,500 1.456,501 0.918,502 1.61,503 0.804,504 1.087,505 0.865,506 1.978,507 0.912,508 0.976,509 0.884,510 0.957,511 0.892,512 1.04,513 0.962,514 0.925,515 1.054,516 1.214,517 1.129,518 0.863,519 1.083,520 6,521 0.037,522 3.333,523 2.132,524 1.841,525 0.771,526 0.728,527 0.418,528 0.275,529 0.116,530 7779,531 26969,532 2.115,533 33.3,535 9,536 2,537 1,538 1,542 1.696,543 1.987,544 3.22,545 -0.218,547 1,550 76.538,551 1.963,552 3.827,553 4.628,554 5.132,555 5.183,556 5.183,557 2.643,558 4.027,559 4.674,560 3.363,561 1092.9,562 8.125,563 13365.4,565 1,567 1,568 206.131,569 1.508,570 4.629,571 0.207,572 0.003,573 0.079,574 0.055,575 0.047,576 0.02,577 0.02,578 0.013,579 0.009,580 0.006,581 0.46,582 0.33,583 1,584 0.54,585 125.376,586 0.166,587 0.088,588 0.111,589 -0.036,590 -0.131,591 0.035,592 0.18,593 0.052,594 -0.051,595 0.016,596 0.249,597 -0.044,598 -0.184,599 -0.042,600 -0.047,601 0.011,602 -0.101,603 -0.098,604 -0.06,605 -0.139,606 -0.044,607 -0.167,608 -0.051,609 -0.114,610 -0.167,611 -0.067,612 -0.021,613 -0.033,614 -0.077,615 0.09,616 -0.081,617 0.161,618 -0.119,619 0.039,620 -0.183,621 -0.03,622 0.012,623 0.066,624 0.006,625 0.069,626 -0.014,627 0.01,628 0.098,629 -0.141,630 -0.009,631 -0.105,632 0.077,633 -0.064,634 4.675,635 5.96,636 0.769,637 20.154,638 1.025,639 1.11,640 2.765,641 7.647,642 0.766,643 3.401,644 3.761,645 4.025,646 4.317,647 4.477,648 4.543,649 4.625,650 4.736,651 4.682,652 4.745,653 5.746,654 0.727,655 404.93,656 3.401,657 4.963,658 5.82,659 6.72,660 7.597,661 8.502,662 9.388,663 10.294,664 11.185,665 12.092,666 10.3,671 1,674 1,676 2,680 2,681 10,682 2,685 1,686 4,687 1,688 21,702 1,703 39,705 23,706 2,707 29,709 42,710 17,711 16,712 5,713 7,717 4,718 5,719 1,729 16,730 1,733 2,736 1,737 2,744 1,747 13,748 5,749 1,750 9,751 3,755 4,760 0.75,761 2,775 2,776 2,779 1,796 3,799 2,802 1,805 26,808 1,810 1,811 1,820 1,822 1,824 1,825 5.1,828 2,832 13.083,833 6.993,834 5.542,835 2.099,836 3.923,837 1.534,838 1.043,839 4.694,840 11.275,841 3.75,842 4.443,843 5.016,844 5.645,845 6.086,846 6.385,847 6.725,848 7.133,849 7.192,850 7.549,851 1,852 39,853 9.841,854 4.539,855 7.918,856 18.062,857 15.219,859 2.418,860 62.861,864 141.253,865 145.581,866 51.385,867 39.149,868 44.313,870 37.085,871 108.496,872 224.715,873 51.385,875 2.106,876 88.838,877 105.693,878 24.391,879 24.288,880 137.218,881 39.149,882 141.253,883 159.881,884 44.313,885 76.234,887 141.253,888 44.313,891 12.93,892 97.343,893 94.565,894 31.278,895 141.253,896 95.698,897 184.73,899 5.807,900 141.253,901 47.696,902 93.854,903 16.405,904 116.665,905 141.253,906 95.698,907 184.73,909 0.59,910 0.34,911 0.188,912 0.099,913 22,914 9,915 0.119,916 5,917 1,918 1.1,919 3.761,920 227.396,921 0.1,922 20,923 120.211,924 1,927 1,928 17.465,929 6.988,930 3.637,931 1.617,932 93.921,933 17.41,934 7.685,937 1.395,938 1.858,939 1.612,940 16.405,941 421.681,942 41.5,945 -3.758,946 25.921,952 39.956,953 43.272,954 0.371,955 0.724,956 0.876,957 0.971,958 0.981,959 0.981,960 4.985,961 1.455,962 5.844,963 4.021,964 4.443,965 5.13,966 0.434,967 6.713,968 4.312,969 6.248,970 1.15,971 7.441,972 3.552,973 4.205,974 5.198,976 7.928,977 3.964,978 7.609,979 1.061,980 9.155,981 2.611,982 6.133,983 7.507,984 0.138,985 11,986 5.873,987 9.015,988 0.618,989 10.943,990 2.548,991 6.735,992 8.421,994 13.069,995 6.356,996 10.458,997 0.501,998 12.781,999 1.372,1000 8.172,1001 10.224,1002 0.039,1003 15.755,1004 7.763,1005 11.928,1006 0.318,1007 14.655,1008 1.208,1009 9.13,1010 11.498,1012 18.135,1013 8.604,1014 13.419,1015 -0.265,1016 16.555,1017 0.788,1018 10.406,1019 13.129,1020 0.011,1021 20.726,1022 9.827,1023 3.477,1024 -0.587,1025 18.475,1026 -0.767,1027 11.516,1028 14.561,1030 23.22,1031 10.826,1032 2.928,1033 13.087,1034 20.411,1035 -1.517,1036 12.745,1037 16.136,1038 0.003,1039 25.79,1040 11.983,1041 2.73,1042 9.554,1043 22.36,1044 4.862,1045 13.921,1046 17.638,1048 28.329,1049 13.053,1050 2.478,1051 8.917,1052 24.319,1053 4.161,1054 15.142,1055 19.199,1056 0.001,1057 30.896,1058 14.189,1059 2.074,1060 6.983,1061 26.286,1062 3.88,1063 16.348,1064 20.734,1066 33.453,1067 15.294,1068 1.661,1069 5.716,1070 28.26,1071 3.456,1072 17.573,1073 22.295,1075 36.021,1076 16.427,1077 1.545,1078 4.992,1079 30.239,1080 2.759,1081 18.795,1082 23.848,1084 38.586,1085 17.549,1086 7329,1087 13826,1088 19.474,1089 29.892,1090 44.247,1091 44.97,1092 44.293,1093 44.172,1094 43.991,1095 62.262,1096 1.043,1097 130.7,1098 40.997,1099 5.796,1100 6.709,1101 7.12,1102 5.545,1103 5.477,1104 7.862,1105 1.043,1106 21.098,1107 5.178,1108 10.619,1109 1.526,1110 1.551,1111 1.527,1112 1.523,1113 1.517,1114 2.147,1115 0.036,1116 4.507,1117 1.414,1118 4.168,1119 4.152,1120 4.765,1121 4.201,1122 7.717,1123 4.115,1124 3.972,1125 4.016,1126 4.208,1127 3.897,1128 6.999,1129 3.886,1130 3.808,1131 3.855,1132 4.004,1133 3.691,1134 5.117,1135 3.614,1136 3.694,1137 3.669,1138 3.801,1139 3.548,1140 4.925,1141 3.559,1142 3.227,1143 3.24,1144 3.445,1145 3.242,1146 4.838,1147 3.138,1148 3.09,1149 3.147,1150 3.344,1151 2.981,1152 4.331,1153 2.963,1154 2.886,1155 2.942,1156 2.813,1157 2.795,1158 4.139,1159 2.772,1160 2.824,1161 2.872,1162 2.731,1163 2.701,1164 3.828,1165 2.681,1166 0.17,1167 0.162,1168 0.257,1169 0.152,1170 0.12,1171 4.933,1172 0.168,1173 4.709,1174 0.018,1175 7.439,1176 0.451,1177 4.398,1178 0.11,1179 3.477,1180 4.862,1181 0.522,1182 13.087,1183 3.178,1184 1.97,1185 1.971,1186 2.005,1187 2.044,1188 1.218,1189 2.065,1190 1.903,1191 1.883,1192 1.987,1193 1.969,1194 1.157,1195 1.986,1196 1.645,1197 1.684,1198 1.632,1199 1.745,1200 0.869,1201 1.786,1202 1.471,1203 1.409,1204 1.446,1205 1.663,1206 0.748,1207 1.671,1208 1.192,1209 1.15,1210 1.379,1211 1.486,1212 0.426,1213 1.449,1214 1.138,1215 1.116,1216 1.185,1217 1.234,1218 0.366,1219 1.292,1220 0.916,1221 0.879,1222 1.082,1223 1.039,1224 0.226,1225 1.075,1226 0.818,1227 0.767,1228 0.966,1229 1.024,1230 0.126,1231 1.037,1232 4.078,1233 5.425,1234 3.045,1235 6.956,1236 5.283,1237 8.574,1238 7.298,1239 10.24,1242 6.08,1247 0.374,1248 2.668,1257 28.351,1258 76.538,1259 149.26,1260 180.479,1261 200.131,1262 202.131,1263 202.131,1264 47.672,1265 7.351,1266 76.88,1267 113.5,1268 22,1269 12.612,1270 4.585,1271 3.755,1272 37.828,1273 89,1274 80,1275 0.207,1276 183.684,1277 299.67,1278 439.95,1279 15598,1280 2.6,1281 18.148,1282 0.698,1283 0.605,1284 19.252,1285 15.722,1286 12.527,1287 0.432,1288 0.358,1289 7.784,1290 10.612,1291 7.392,1292 6.097,1293 14.091,1294 10.385,1295 11.91,1296 0.284,1297 0.205,1298 14.15,1299 8.602,1300 9.638,1301 0.175,1302 0.12,1303 11.689,1304 6.609,1305 8.326,1306 0.113,1307 0.073,1308 10.762,1309 5.402,1310 6.282,1311 0.072,1312 0.045,1313 8.579,1314 3.912,1315 0.318,1316 94.036,1317 0.227,1318 24.753,1319 0.592,1320 142,1321 454.663,1322 227.956,1323 515.23,1324 690.12,1325 474,1326 168,1327 449.473,1328 259.541,1329 514.854,1330 746,1331 481,1332 5.5}
{0 CHEMBL2207096,1 2.049,2 8.885,3 2.79,4 7.786,5 98.613,6 10.563,7 0.724,8 3.8,9 3.878,10 3.798,11 3.386,12 5.05,13 3.384,14 4.276,15 4.381,16 4.095,17 3.764,18 5.74,19 3.758,20 4.45,21 4.59,22 4.114,23 3.85,24 5.707,25 3.798,26 4.535,27 4.684,28 4.211,29 3.81,30 5.92,31 3.781,32 4.526,33 4.675,34 4.178,35 3.751,36 6.019,37 3.742,38 4.42,39 4.555,40 4.055,41 3.71,42 5.893,43 3.691,44 4.297,45 4.449,46 3.966,47 3.669,48 5.642,49 3.627,50 4.278,51 4.439,52 3.9,53 3.523,54 5.686,55 3.508,56 0.241,57 0.646,58 4.622,59 3.211,60 21.626,61 2.638,62 0.481,63 0.978,64 7.26,65 5.089,66 48.266,67 4.473,68 0.567,69 1.077,70 14.923,71 6.934,72 52.1,73 6.133,74 0.743,75 1.13,76 18.765,77 7.558,78 67.002,79 6.276,80 0.957,81 1.044,82 26.13,83 7.78,84 95.873,85 6.417,86 0.855,87 0.93,88 17.536,89 6.216,90 91.346,91 4.964,92 0.525,93 0.872,94 12.131,95 5.704,96 47.544,97 5.687,98 0.63,99 0.763,100 15.981,101 5.428,102 54.322,103 5.312,104 10,105 42,106 0.359,107 0.687,108 0.81,109 0.893,110 0.893,111 0.893,112 3.305,113 0.957,114 -2.89,115 -2.9,116 -2.8,119 40.5,125 1,138 6,139 1,140 3,141 1,142 2,147 1,159 4,163 4,165 3,166 2,169 2,171 2,172 6,176 8,181 2,183 2,186 2,187 14,190 2,192 3,194 1,197 4,198 7,201 3,203 1,205 2,208 2,209 9,212 1,217 3,220 2,221 7,227 5,230 3,231 7,238 3,241 3,242 7,249 2,252 968,253 17.471,254 17.471,255 17.471,256 17.471,257 17.471,258 14.654,259 14.189,260 10.235,261 17.938,262 14.352,263 14.352,264 14.352,265 14.352,266 14.352,267 10.141,268 17.601,269 4.879,270 15.175,271 3.16,272 1.284,273 0.581,274 0.108,275 0.108,276 0.108,277 3.997,279 1,282 1,283 1,284 508,285 3.391,287 121.119,288 153.336,291 101.787,295 1.287,296 35.695,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 58.333,308 231,309 4.926,310 4.707,311 7.436,312 4.393,313 3.469,314 4.847,315 0.522,316 13.074,317 3.184,318 4.343,319 3.159,320 6.3,321 3.898,322 2.927,323 4.177,325 9.544,326 2.839,327 4.217,328 2.829,329 6.124,330 3.708,331 2.744,332 3.883,334 8.929,335 2.635,336 3.888,337 2.795,338 5.355,339 3.42,340 2.479,341 3.456,343 6.985,344 2.328,345 3.439,346 2.454,347 4.966,348 2.962,349 2.075,350 2.761,352 5.721,353 1.752,354 3.18,355 1.837,356 4.914,357 2.669,358 1.692,359 2.481,361 5.184,362 1.649,363 3.047,364 1.553,365 4.33,366 2.531,367 1.547,368 2.32,370 4.004,371 1.52,372 2.867,373 1.537,374 4.07,375 2.423,376 1.447,377 2,379 3.567,380 1.409,381 2.579,382 1.224,383 3.439,384 2.092,385 1.149,386 1.612,388 2.548,389 1.076,390 2.5,391 1,392 3.431,393 2,394 1,395 1.5,397 2.231,398 1,399 2.118,400 0.755,401 3.351,402 1.604,403 0.618,404 0.927,406 1.372,407 0.609,408 1.969,409 0.66,410 3.026,411 1.436,412 0.487,413 0.709,415 1.261,416 0.459,417 1.613,418 0.618,419 3,420 1.26,421 0.318,422 0.399,424 0.79,425 0.284,426 1.033,427 0.146,428 2.757,429 0.67,430 -0.258,431 -0.315,433 -0.747,434 -0.211,435 1,436 -0.03,437 2.563,438 0.373,439 -0.584,440 -0.715,442 -1.502,443 -0.447,444 12.448,445 0.479,446 0.731,447 0.028,448 38.75,449 1.49,450 21.5,451 0.827,452 17.25,453 0.663,454 17.326,455 0.666,456 27.152,457 0.734,458 29.218,459 1.124,460 7.703,461 0.296,462 4.824,463 0.186,464 0.111,465 0.067,466 0.273,472 0.437,473 1.081,474 0.633,475 1.077,476 0.62,477 0.787,478 0.667,479 1.13,480 0.745,481 0.927,482 0.564,483 0.886,484 1.036,485 1.183,486 1.114,487 1.156,488 1.033,489 1.119,490 1.119,491 1.087,492 1.076,493 1.211,494 1.203,495 1.057,496 1.192,497 0.872,498 1.032,499 0.988,500 1.487,501 0.851,502 1.246,503 0.852,504 1.194,505 0.97,506 1.641,507 1.036,508 0.809,509 1.084,510 0.9,511 1.002,512 0.816,513 1.042,514 1.088,515 1.007,516 1.168,517 0.987,518 0.931,519 1.045,520 6,521 0.035,522 3.333,523 2.097,524 1.709,525 0.983,526 0.599,527 0.411,528 0.283,529 0.107,530 7703,531 29310,532 2.115,533 29.7,535 8,536 1,537 1,538 1,542 1.696,543 1.987,544 3.157,545 -0.142,546 1,547 1,550 75.828,551 2.049,552 3.925,553 4.628,554 5.101,555 5.101,556 5.101,557 2.505,558 4.287,559 4.675,560 3.324,561 1080.22,562 8.129,563 13234.8,564 1,565 1,567 1,568 192.75,569 1.508,570 4.629,571 0.207,572 0.003,573 0.079,574 0.054,575 0.043,576 0.025,577 0.017,578 0.012,579 0.009,580 0.006,581 0.455,582 0.33,583 1,584 0.54,585 125.125,586 0.239,587 0.086,588 0.132,589 -0.058,590 -0.092,591 0.013,592 0.108,593 -0.041,594 -0.024,595 -0.015,596 0.229,597 -0.06,598 -0.202,599 -0.185,600 -0.119,601 -0.109,602 -0.126,603 -0.132,604 -0.096,605 -0.08,606 -0.027,607 -0.107,608 -0.038,609 -0.07,610 0.015,611 0.086,612 0.026,613 0.108,614 -0.004,615 0.149,616 -0.108,617 0.075,618 -0.153,619 -0.016,620 -0.206,621 -0.09,622 0.031,623 -0.135,624 0.053,625 -0.045,626 0.035,627 -0.033,628 -0.041,629 -0.121,630 -0.042,631 -0.091,632 0.011,633 -0.041,634 4.861,635 5.881,636 0.769,637 19.692,638 1.044,639 1.128,640 1.662,641 2.762,642 0.735,643 3.401,644 3.761,645 4.025,646 4.317,647 4.466,648 4.522,649 4.635,650 4.7,651 4.663,652 4.718,653 5.67,654 0.726,655 390.84,656 3.401,657 4.963,658 5.82,659 6.72,660 7.596,661 8.499,662 9.384,663 10.287,664 11.176,665 12.081,666 16.2,671 1,674 1,676 4,680 2,681 8,682 4,684 1,686 4,687 1,688 21,702 1,703 37,705 23,706 2,707 29,709 40,710 15,711 14,712 6,713 6,717 4,718 5,719 1,729 14,730 1,733 2,736 1,737 2,744 1,747 11,748 8,749 1,750 11,751 2,755 6,760 0.75,761 3,775 2,776 2,779 1,796 3,799 1,802 1,805 26,808 1,810 1,811 1,822 1,824 1,825 8.1,828 2,830 1,832 13.083,833 6.726,834 5.542,835 1.974,836 3.914,837 1.534,838 1.023,839 4.364,840 11.241,841 3.75,842 4.443,843 5.016,844 5.645,845 6.075,846 6.355,847 6.751,848 7.08,849 7.178,850 7.527,851 0.833,852 39,853 9.829,854 4.583,855 8.059,856 17.598,857 14.589,859 2.559,860 66.528,864 117.711,865 98.147,866 90.578,867 39.149,868 54.274,870 5.807,871 92.34,872 211.134,873 90.578,875 2.106,876 71.712,877 144.886,878 36.067,879 11.771,880 94.169,881 39.149,882 117.711,883 182.918,884 54.274,885 44.956,887 117.711,888 54.274,891 17.218,892 76.899,893 133.758,895 117.711,896 144.852,897 137.296,899 5.807,900 117.711,901 17.388,902 76.729,903 16.405,904 165.819,905 117.711,906 144.852,907 137.296,909 0.59,910 0.342,911 0.19,912 0.097,913 22,914 9,915 0.125,916 5,917 1,918 1.1,919 3.747,920 228.094,921 0.1,922 20,923 120.211,927 1,928 16.972,929 6.685,930 3.45,931 0.502,932 143.076,933 12.75,934 14.965,936 4.632,938 1.365,939 1.573,940 16.405,941 399.859,942 41.5,945 -3.944,946 25.762,952 38.644,953 41.728,954 0.393,955 0.754,956 0.888,957 0.979,958 0.979,959 0.979,960 4.985,961 1.447,962 5.844,963 4.004,964 4.443,965 5.13,966 0.434,967 6.713,968 4.334,969 6.248,970 1.149,971 7.441,972 3.567,973 4.205,974 5.198,976 7.928,977 3.975,978 7.609,979 1,980 9.155,981 2.548,982 6.133,983 7.507,984 0.138,985 11,986 5.903,987 9.015,988 0.618,989 10.943,990 2.231,991 6.735,992 8.421,994 13.066,995 6.381,996 10.458,997 0.487,998 12.781,999 1.372,1000 8.169,1001 10.22,1002 0.039,1003 15.752,1004 7.795,1005 11.927,1006 0.318,1007 14.654,1008 1.261,1009 9.125,1010 11.494,1012 18.129,1013 8.636,1014 13.417,1015 -0.258,1016 16.554,1017 0.79,1018 10.398,1019 13.121,1020 0.011,1021 20.719,1022 9.862,1023 3.469,1024 -0.584,1025 18.474,1026 -0.747,1027 11.506,1028 14.55,1030 23.212,1031 10.862,1032 2.927,1033 13.074,1034 20.409,1035 -1.502,1036 12.732,1037 16.121,1038 0.003,1039 25.781,1040 12.021,1041 2.744,1042 9.544,1043 22.357,1044 4.847,1045 13.905,1046 17.62,1048 28.319,1049 13.092,1050 2.479,1051 8.929,1052 24.315,1053 4.177,1054 15.123,1055 19.177,1056 0.001,1057 30.884,1058 14.23,1059 2.075,1060 6.985,1061 26.282,1062 3.883,1063 16.326,1064 20.709,1066 33.441,1067 15.335,1068 1.692,1069 5.721,1070 28.255,1071 3.456,1072 17.548,1073 22.265,1075 36.007,1076 16.469,1077 1.547,1078 5.184,1079 30.234,1080 2.761,1081 18.767,1082 23.814,1084 38.571,1085 17.592,1086 7257,1087 14361,1088 19.474,1089 27.188,1090 44.165,1091 44.886,1092 44.169,1093 44.139,1094 43.906,1095 62.146,1096 1.043,1097 130.423,1098 41.49,1099 5.786,1100 6.707,1101 7.05,1102 5.483,1103 5.469,1104 7.847,1105 1.043,1106 21.07,1107 5.184,1108 10.597,1109 1.523,1110 1.548,1111 1.523,1112 1.522,1113 1.514,1114 2.143,1115 0.036,1116 4.497,1117 1.431,1118 4.156,1119 4.151,1120 4.743,1121 4.108,1122 7.717,1123 4.049,1124 3.968,1125 4.016,1126 4.008,1127 3.869,1128 6.999,1129 3.87,1130 3.802,1131 3.852,1132 3.92,1133 3.598,1134 5.388,1135 3.598,1136 3.674,1137 3.64,1138 3.801,1139 3.541,1140 5.116,1141 3.499,1142 3.254,1143 3.293,1144 3.344,1145 2.994,1146 4.923,1147 3.033,1148 3.091,1149 3.148,1150 3.187,1151 2.981,1152 4.461,1153 2.964,1154 2.869,1155 2.93,1156 2.757,1157 2.738,1158 4.328,1159 2.73,1160 2.671,1161 2.73,1162 2.68,1163 2.517,1164 3.857,1165 2.509,1166 0.17,1167 0.162,1168 0.256,1169 0.151,1170 0.12,1171 4.926,1172 0.167,1173 4.707,1174 0.018,1175 7.436,1176 0.451,1177 4.393,1178 0.11,1179 3.469,1180 4.847,1181 0.522,1182 13.074,1183 3.184,1184 1.989,1185 1.995,1186 2.002,1187 2.064,1188 1.225,1189 2.089,1190 1.891,1191 1.87,1192 1.96,1193 1.974,1194 1.143,1195 1.981,1196 1.48,1197 1.476,1198 1.632,1199 1.711,1200 0.759,1201 1.697,1202 1.43,1203 1.407,1204 1.379,1205 1.596,1206 0.578,1207 1.618,1208 1.192,1209 1.117,1210 1.254,1211 1.486,1212 0.426,1213 1.449,1214 0.941,1215 0.903,1216 1.114,1217 1.424,1218 0.184,1219 1.291,1220 0.912,1221 0.862,1222 1.068,1223 1.078,1224 0.15,1225 1.081,1226 0.824,1227 0.776,1228 0.931,1229 1.039,1231 1.059,1232 4.078,1233 5.425,1234 3.045,1235 6.956,1236 5.209,1237 8.577,1238 7.14,1239 10.249,1242 6.044,1247 0.324,1248 2.555,1257 26.868,1258 75.828,1259 145.24,1260 171.24,1261 188.75,1262 188.75,1263 188.75,1264 49.165,1265 7.327,1266 115.8,1267 124.18,1268 22,1269 12.603,1270 4.585,1271 3.755,1272 37.799,1273 88,1274 80,1275 0.209,1276 170.954,1277 277.35,1278 408.887,1279 15131,1280 2.7,1281 18.148,1282 0.698,1283 0.563,1284 18.898,1285 14.645,1286 12.527,1287 0.432,1288 0.319,1289 7.406,1290 10.799,1291 7.149,1292 5.898,1293 13.637,1294 9.256,1295 11.91,1296 0.284,1297 0.178,1298 13.6,1299 7.483,1300 9.63,1301 0.175,1302 0.096,1303 10.967,1304 5.291,1305 8.361,1306 0.113,1307 0.053,1308 9.78,1309 3.887,1310 6.223,1311 0.072,1312 0.032,1313 7.649,1314 2.721,1315 0.32,1316 91.403,1317 0.227,1318 24.693,1319 0.601,1320 142,1321 522.829,1322 212.049,1323 551.87,1324 738.3,1325 506,1326 168,1327 514.847,1328 244.498,1329 555.765,1330 798.49,1331 518,1332 5}
{0 CHEMBL2207097,1 2.152,2 9.4,3 4.09,4 16.731,5 97.557,6 11.146,7 0.63,8 3.738,9 3.814,10 3.778,11 3.377,12 4.977,13 3.354,14 4.231,15 4.332,16 4.102,17 3.748,18 5.752,19 3.721,20 4.453,21 4.588,22 4.233,23 3.865,24 5.839,25 3.791,26 4.481,27 4.639,28 4.137,29 3.785,30 5.851,31 3.707,32 4.45,33 4.605,34 4.222,35 3.711,36 5.914,37 3.694,38 4.416,39 4.55,40 4.097,41 3.66,42 6.169,43 3.658,44 4.271,45 4.432,46 3.866,47 3.599,48 5.726,49 3.543,50 4.217,51 4.4,52 3.799,53 3.427,54 5.751,55 3.401,56 0.202,57 0.636,58 3.35,59 3.212,60 26.78,61 2.66,62 0.495,63 0.962,64 5.774,65 5.132,66 56.022,67 4.552,68 0.717,69 1.117,70 18.742,71 7.663,72 81.831,73 6.409,74 0.794,75 1.104,76 22.84,77 8.164,78 94.277,79 6.806,80 0.846,81 1.074,82 27.078,83 8.198,84 122.742,85 6.716,86 1.096,87 1.084,88 14.631,89 6.441,90 158.382,91 5.012,92 0.594,93 0.981,94 11.991,95 6.032,96 62.606,97 6.039,98 0.721,99 0.908,100 15.415,101 6.013,102 86.756,103 5.918,104 26,105 39,106 0.384,107 0.688,108 0.807,109 0.893,110 0.903,111 0.903,112 3.267,113 1.021,114 -4.22,115 -4.16,116 -3.93,119 41.7,125 1,138 6,139 1,140 5,141 1,147 1,159 2,163 3,165 2,166 1,169 2,171 2,172 6,176 6,181 3,183 6,187 10,190 1,192 2,194 1,198 7,201 1,203 1,205 4,208 2,209 6,212 1,214 1,217 4,220 2,221 2,227 5,230 2,231 3,238 4,242 4,249 2,252 922,253 16.264,254 16.264,255 16.264,256 16.264,257 16.264,258 13.775,259 16.382,260 9.418,261 16.835,262 13.311,263 13.311,264 13.311,265 13.311,266 13.311,267 9.625,268 19.015,269 4.5,270 14.407,271 3.018,272 1.32,273 0.653,274 0.167,275 0.111,276 0.111,277 3.94,279 2,282 1,283 1,284 498,285 3.391,287 67.782,288 173.258,295 1.376,296 43.362,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 56.167,308 235,309 4.866,310 4.688,311 7.316,312 4.329,313 3.408,314 4.718,315 0.522,316 12.554,317 3.115,318 4.261,319 3.278,320 6.189,321 3.859,322 2.891,323 3.907,325 9.233,326 2.788,327 4.094,328 3.149,329 5.892,330 3.566,331 2.691,332 3.705,334 8.037,335 2.355,336 3.888,337 2.781,338 5.356,339 3.426,340 2.48,341 3.456,343 6.988,344 2.268,345 3.439,346 2.456,347 4.938,348 3.012,349 2.077,350 2.76,352 5.72,353 1.921,354 3.106,355 2.152,356 4.843,357 2.621,358 1.664,359 2.33,361 4.976,362 1.545,363 2.86,364 1.866,365 4.265,366 2.395,367 1.42,368 1.99,370 3.909,371 1.364,372 2.819,373 1.541,374 4.039,375 2.304,376 1.414,377 1.945,379 3.51,380 1.194,381 2.579,382 1.223,383 3.431,384 2.094,385 1.149,386 1.612,388 2.548,389 1.083,390 2.118,391 0.789,392 3.25,393 1.604,394 0.618,395 0.927,397 1.372,398 0.609,399 1.614,400 0.669,401 3,402 1.285,403 0.332,404 0.409,406 0.825,407 0.312,408 1.369,409 0.618,410 2.832,411 0.839,412 0.099,413 0.12,415 0.218,416 0.059,417 1.033,418 0.262,419 2.664,420 0.672,421 -0.266,422 -0.326,424 -0.77,425 -0.243,426 1,427 0.036,428 2.375,429 0.316,430 -0.587,431 -0.715,433 -1.517,434 -0.439,435 0.743,436 -0.243,437 2.35,438 0.227,439 -0.647,440 -0.841,442 -1.712,443 -0.52,444 12.314,445 0.493,446 0.824,447 0.033,448 35.25,449 1.41,450 19.5,451 0.78,452 15.75,453 0.63,454 18.112,455 0.724,456 26.686,457 0.741,458 27.08,459 1.083,460 7.01,461 0.28,462 4.839,463 0.194,464 0.193,465 0.068,466 0.276,470 1,472 0.493,473 1.008,474 0.601,475 1.039,476 0.611,477 0.779,478 0.668,479 1.041,480 0.708,481 0.865,482 0.574,483 0.863,484 1.102,485 1.09,486 1.036,487 1.073,488 1.016,489 1.097,490 1.124,491 0.925,492 1.022,493 1.056,494 1.154,495 1.075,496 1.016,497 0.966,498 0.791,499 1.062,500 1.21,501 0.818,502 1.037,503 0.921,504 0.832,505 0.882,506 1.28,507 0.969,508 0.844,509 1.102,510 0.792,511 1.008,512 0.869,513 1.098,514 1.291,515 1.2,516 0.872,517 0.813,518 1.305,519 0.9,520 7,521 0.087,522 3.556,523 1.847,524 1.862,525 0.965,526 0.612,527 0.476,528 0.309,529 0.146,530 6590,531 29117,532 2.005,533 30.6,535 8,536 1,537 1,538 1,542 1.685,543 1.84,544 3.219,545 -0.159,547 1,550 77.46,551 2.152,552 3.85,553 4.517,554 5.003,555 5.059,556 5.059,557 2.661,558 4.404,559 4.616,560 3.36,561 1007.99,562 8.009,563 12101.1,565 1,567 1,568 186.117,569 1.673,570 4.546,571 0.259,572 0.008,573 0.091,574 0.05,575 0.055,576 0.026,577 0.017,578 0.016,579 0.012,580 0.009,581 0.543,582 0.33,583 1,584 0.65,585 119.388,586 0.079,587 0.017,588 0.082,589 -0.089,590 -0.099,591 0.012,592 0.069,593 -0.063,594 -0.024,595 0.006,596 0.156,597 -0.051,598 -0.201,599 -0.109,600 -0.072,601 -0.057,602 -0.108,603 -0.14,604 -0.187,605 -0.012,606 -0.065,607 -0.002,608 -0.145,609 -0.073,610 -0.01,611 -0.062,612 0.166,613 0.01,614 -0.071,615 0.203,616 0.182,617 0.179,618 -0.058,619 0.019,620 0.108,621 -0.092,622 0.044,623 -0.113,624 -0.004,625 -0.086,626 0.036,627 -0.103,628 -0.078,629 -0.047,630 0.048,631 0.111,632 -0.054,633 0.138,634 4.892,635 5.612,636 0.68,637 19.946,638 1.048,639 1.129,640 2.988,641 8.926,642 0.751,643 3.332,644 3.689,645 3.892,646 4.094,647 4.29,648 4.331,649 4.344,650 4.357,651 4.369,652 4.369,653 5.722,654 0.733,655 401.27,656 3.332,657 4.89,658 5.727,659 6.611,660 7.469,661 8.354,662 9.221,663 10.107,664 10.978,665 11.864,666 11.1,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 3,703 36,705 19,706 2,707 27,709 38,710 15,711 14,712 6,713 6,717 3,718 3,719 2,729 14,730 1,733 2,736 1,737 2,744 1,745 1,747 11,748 6,749 1,750 10,751 3,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 2,803 1,805 25,808 1,810 1,811 1,822 1,824 3,825 5.6,828 2,832 13.583,833 6.445,834 5.347,835 1.872,836 2.998,837 1.436,838 1.003,839 5.18,840 9.879,841 3.651,842 4.321,843 4.803,844 5.322,845 5.77,846 5.963,847 6.188,848 6.405,849 6.671,850 6.957,851 1,852 37,853 9.521,854 4.451,855 8.266,856 16.756,857 13.728,859 2.766,860 69.139,864 117.711,865 106.481,866 51.385,867 78.297,868 44.313,869 14.96,870 5.807,871 100.673,872 240.321,873 66.345,875 2.106,876 71.712,877 105.693,878 34.439,879 26.731,880 94.169,881 78.297,882 117.711,883 152.058,884 59.273,885 84.105,887 132.671,888 44.313,891 12.93,892 89.52,893 133.713,895 132.671,896 95.698,897 184.778,899 5.807,900 117.711,901 25.721,902 76.729,903 16.405,904 170.774,905 117.711,906 110.658,907 184.778,909 0.596,910 0.336,911 0.165,912 0.092,913 19,914 9,915 0.132,916 5,918 1,919 3.596,920 205.845,922 17,923 114.096,927 1,928 17.987,929 7.199,930 4.236,932 108.882,933 10.827,934 7.493,938 0.3,939 1.49,940 16.405,941 413.147,942 37.5,945 -3.976,946 25.122,952 37.716,953 40.636,954 0.416,955 0.745,956 0.874,957 0.968,958 0.979,959 0.979,960 4.892,961 1.414,962 5.765,963 3.909,964 4.369,965 5.007,966 0.434,967 6.611,968 4.217,969 6.158,970 1.149,971 7.361,972 3.51,973 4.205,974 5.121,976 7.811,977 3.893,978 7.519,979 0.618,980 9.069,981 2.548,982 6.057,983 7.343,984 0.138,985 10.823,986 5.758,987 8.921,988 0.332,989 10.846,990 1.372,991 6.673,992 8.245,994 12.852,995 6.215,996 10.356,997 0.099,998 12.669,999 0.825,1000 8.072,1001 10.003,1002 0.039,1003 15.493,1004 7.61,1005 11.815,1006 -0.266,1007 14.526,1008 0.218,1009 9.019,1010 11.245,1012 17.835,1013 8.417,1014 13.293,1015 -0.587,1016 16.409,1017 -0.77,1018 10.27,1019 12.846,1020 0.011,1021 20.383,1022 9.634,1023 3.408,1024 -0.647,1025 18.312,1026 -1.517,1027 11.36,1028 14.242,1030 22.841,1031 10.605,1032 2.891,1033 12.554,1034 20.231,1035 -1.712,1036 12.568,1037 15.791,1038 0.003,1039 25.368,1040 11.753,1041 2.691,1042 9.233,1043 22.163,1044 4.718,1045 13.721,1046 17.26,1048 27.869,1049 12.801,1050 2.48,1051 8.037,1052 24.105,1053 3.907,1054 14.921,1055 18.795,1056 0.001,1057 30.394,1058 13.925,1059 2.077,1060 6.988,1061 26.056,1062 3.705,1063 16.105,1064 20.3,1066 32.911,1067 15.01,1068 1.664,1069 5.72,1070 28.014,1071 3.456,1072 17.308,1073 21.835,1075 35.437,1076 16.129,1077 1.42,1078 4.976,1079 29.978,1080 2.76,1081 18.508,1082 23.36,1084 37.962,1085 17.233,1086 6473,1087 13777,1088 17.394,1089 27.04,1090 40.733,1091 42.365,1092 41.484,1093 40.784,1094 40.49,1095 55.758,1096 1.043,1097 119.783,1098 37.222,1099 5.722,1100 6.688,1101 6.93,1102 5.397,1103 5.408,1104 7.718,1105 1.043,1106 20.02,1107 5.115,1108 13.803,1109 1.509,1110 1.569,1111 1.536,1112 1.511,1113 1.5,1114 2.065,1115 0.039,1116 4.436,1117 1.379,1118 4.101,1119 4.095,1120 4.74,1121 4.082,1122 8.201,1123 4.004,1124 3.94,1125 3.974,1126 4.056,1127 3.847,1128 7.717,1129 3.846,1130 3.784,1131 3.837,1132 3.918,1133 3.579,1134 6.999,1135 3.592,1136 3.603,1137 3.569,1138 3.731,1139 3.529,1140 5.115,1141 3.467,1142 3.102,1143 3.166,1144 3.4,1145 2.94,1146 5.03,1147 2.943,1148 2.88,1149 2.925,1150 3.103,1151 2.795,1152 4.614,1153 2.768,1154 2.868,1155 2.921,1156 3.012,1157 2.743,1158 4.49,1159 2.732,1160 2.665,1161 2.715,1162 2.741,1163 2.554,1164 4.182,1165 2.522,1166 0.18,1167 0.174,1168 0.271,1169 0.16,1170 0.126,1171 4.866,1172 0.175,1173 4.688,1174 0.019,1175 7.316,1176 0.465,1177 4.329,1178 0.115,1179 3.408,1180 4.718,1181 0.522,1182 12.554,1183 3.115,1184 1.975,1185 1.983,1186 2.006,1187 2.058,1188 1.21,1189 2.08,1190 1.879,1191 1.86,1192 1.905,1193 1.951,1194 1.121,1195 1.969,1196 1.476,1197 1.463,1198 1.636,1199 1.715,1200 0.75,1201 1.693,1202 1.406,1203 1.403,1204 1.384,1205 1.548,1206 0.54,1207 1.585,1208 1.19,1209 1.112,1210 1.222,1211 1.488,1212 0.422,1213 1.451,1214 0.869,1215 0.824,1216 1.104,1217 1.074,1218 0.181,1219 1.074,1220 0.857,1221 0.807,1222 0.986,1223 1.033,1224 0.146,1225 1.056,1226 0.78,1227 0.709,1228 0.872,1229 1.004,1231 1.028,1232 4.007,1233 5.352,1234 2.398,1235 6.874,1236 4.443,1237 8.479,1238 6.26,1239 10.127,1242 11.676,1243 13.612,1247 0.222,1248 2.372,1257 26.375,1258 77.46,1259 138.608,1260 162.608,1261 180.117,1262 182.117,1263 182.117,1264 63.755,1265 6.88,1266 76.88,1267 85.26,1268 17,1269 12.399,1270 4.322,1271 3.524,1272 41.539,1273 84,1274 83,1275 0.24,1276 173.221,1277 293.74,1278 414.419,1279 8221,1280 8.3,1281 18.027,1282 0.721,1283 0.594,1284 18.406,1285 14.855,1286 11.848,1287 0.439,1288 0.34,1289 7.022,1290 9.986,1291 6.718,1292 5.523,1293 12.853,1294 9.193,1295 11.482,1296 0.294,1297 0.194,1298 12.89,1299 7.58,1300 9.005,1301 0.188,1302 0.113,1303 10.661,1304 5.424,1305 6.896,1306 0.117,1307 0.061,1308 8.089,1309 3.601,1310 5.381,1311 0.075,1312 0.038,1313 6.792,1314 2.716,1315 0.368,1316 89.464,1317 0.24,1318 24.006,1319 0.682,1320 132,1321 532.118,1322 215.023,1323 567.932,1324 730.44,1325 518,1326 153,1327 455.269,1328 240.419,1329 507.634,1330 731.82,1331 473,1332 5.6}
{0 CHEMBL2207098,1 2.119,2 9.462,3 5.214,4 27.183,5 106.95,6 12.56,7 0.607,8 3.741,9 3.804,10 3.87,11 3.436,12 4.957,13 3.398,14 4.235,15 4.32,16 4.233,17 3.828,18 5.729,19 3.781,20 4.46,21 4.568,22 4.458,23 3.977,24 5.85,25 3.875,26 4.485,27 4.623,28 4.272,29 3.87,30 5.824,31 3.773,32 4.459,33 4.59,34 4.388,35 3.816,36 5.926,37 3.761,38 4.417,39 4.517,40 4.396,41 3.807,42 6.03,43 3.763,44 4.291,45 4.407,46 4.254,47 3.767,48 5.822,49 3.687,50 4.212,51 4.358,52 4.038,53 3.616,54 5.645,55 3.523,56 0.207,57 0.553,58 2.143,59 2.84,60 24.465,61 2.268,62 0.505,63 0.829,64 4.807,65 4.611,66 54.367,67 3.991,68 0.735,69 0.94,70 23.006,71 7.291,72 69.488,73 6.016,74 0.798,75 0.978,76 24.946,77 8.193,78 85.213,79 6.587,80 0.883,81 0.919,82 32.804,83 8.649,84 109.862,85 6.925,86 0.964,87 0.832,88 18.762,89 6.612,90 113.209,91 4.834,92 0.663,93 0.743,94 13.789,95 5.935,96 64.064,97 5.707,98 0.662,99 0.618,100 21.693,101 6.176,102 65.194,103 6.241,104 37,105 41,106 0.378,107 0.669,108 0.766,109 0.864,110 0.903,111 0.903,112 3.305,113 1.077,114 -4.57,115 -4.49,116 -4.23,119 41.7,125 1,138 5,139 1,140 6,141 1,147 1,159 2,163 2,165 2,166 1,169 2,171 2,172 6,176 6,181 3,183 10,187 9,190 1,192 2,194 2,198 7,201 1,203 2,205 4,208 2,209 7,212 1,214 1,217 4,220 2,221 6,227 5,230 2,231 4,238 6,242 4,249 3,252 1034,253 16.764,254 16.764,255 16.764,256 16.764,257 16.764,258 14.222,259 16.922,260 9.592,261 17.507,262 13.779,263 13.779,264 13.779,265 13.779,266 13.779,267 10.012,268 20.21,269 4.567,270 15.262,271 3.051,272 1.424,273 0.878,274 0.333,275 0.111,276 0.111,277 3.975,279 4,282 1,283 1,284 519,285 3.464,287 70.987,288 182.094,295 1.385,296 40.77,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 57.333,308 246,309 4.867,310 4.688,311 7.316,312 4.33,313 3.41,314 4.719,315 0.522,316 12.555,317 3.115,318 4.355,319 3.376,320 6.282,321 3.916,322 2.976,323 4.043,325 9.513,326 2.793,327 4.1,328 3.276,329 5.896,330 3.569,331 2.698,332 3.711,334 8.049,335 2.352,336 3.927,337 2.928,338 5.711,339 3.473,340 2.554,341 3.48,343 7.503,344 2.27,345 3.632,346 2.496,347 5.328,348 3.168,349 2.265,350 3.01,352 6.769,353 1.908,354 3.114,355 2.199,356 4.853,357 2.655,358 1.711,359 2.339,361 5.052,362 1.574,363 3.008,364 2.151,365 4.496,366 2.487,367 1.54,368 2.194,370 4.465,371 1.41,372 2.819,373 1.799,374 4.042,375 2.304,376 1.414,377 1.946,379 3.514,380 1.194,381 2.598,382 1.487,383 3.63,384 2.117,385 1.194,386 1.636,388 2.685,389 1.087,390 2.118,391 1.114,392 3.353,393 1.605,394 0.664,395 0.927,397 1.705,398 0.609,399 1.88,400 0.774,401 3.005,402 1.494,403 0.618,404 0.771,406 1.372,407 0.484,408 1.37,409 0.618,410 3,411 0.837,412 0.102,413 0.122,415 0.223,416 0.06,417 1.055,418 0.265,419 2.721,420 0.683,421 -0.244,422 -0.302,424 -0.698,425 -0.205,426 1,427 0.16,428 2.582,429 0.445,430 -0.347,431 -0.408,433 -0.906,434 -0.236,435 0.875,436 0.042,437 2.375,438 0.226,439 -0.646,440 -0.837,442 -1.71,443 -0.437,444 13.457,445 0.518,446 0.913,447 0.035,448 36,449 1.385,450 19.5,451 0.75,452 16.5,453 0.635,454 21.407,455 0.823,456 27.343,457 0.76,458 27.17,459 1.045,460 6.966,461 0.268,462 5.293,463 0.204,464 0.262,465 0.062,466 0.29,472 0.51,473 1.116,474 0.565,475 0.943,476 0.652,477 0.706,478 0.697,479 1.097,480 0.67,481 0.753,482 0.584,483 0.774,484 1.081,485 1.132,486 0.99,487 1.057,488 0.984,489 1.089,490 1.242,491 1.071,492 0.989,493 1.076,494 1.331,495 1.087,496 1.059,497 1.012,498 0.842,499 1.091,500 1.363,501 0.893,502 1.015,503 0.87,504 0.903,505 0.974,506 1.409,507 1.003,508 0.694,509 1.033,510 0.913,511 1.035,512 0.647,513 1.043,514 1.107,515 0.911,516 1.148,517 0.892,518 0.956,519 0.974,520 7.5,521 0.115,522 4,523 2.035,524 2.053,525 1.09,526 0.785,527 0.579,528 0.35,529 0.176,530 7165,531 34440,532 1.983,533 27.8,535 7,536 1,537 1,538 1,542 1.697,543 1.803,544 3.227,545 -0.142,550 76.295,551 2.119,552 3.746,553 4.292,554 4.837,555 5.059,556 5.059,557 2.655,558 4.239,559 4.673,560 3.369,561 1095.04,562 8.128,563 13500.3,568 186.117,569 1.717,570 4.592,571 0.268,572 0.009,573 0.098,574 0.051,575 0.057,576 0.028,577 0.021,578 0.017,579 0.012,580 0.009,581 0.57,582 0.17,583 1,584 0.669,585 125.604,586 0.084,587 0.05,588 0.036,589 -0.094,590 -0.125,591 0.011,592 0.068,593 0.001,594 -0.027,595 0.066,596 0.201,597 -0.005,598 -0.177,599 -0.137,600 -0.05,601 -0.064,602 -0.072,603 -0.145,604 -0.262,605 -0.048,606 -0.092,607 -0.007,608 -0.201,609 -0.066,610 0.01,611 -0.005,612 0.088,613 0.008,614 -0.06,615 0.144,616 0.126,617 0.103,618 -0.017,619 -0.056,620 -0.056,621 -0.117,622 0.213,623 -0.091,624 0.02,625 -0.103,626 0.222,627 -0.061,628 -0.086,629 -0.055,630 -0.07,631 0.07,632 0.006,633 0.124,634 4.84,635 5.692,636 0.654,637 21.272,638 1.051,639 1.116,640 3.338,641 11.143,642 0.801,643 3.367,644 3.738,645 3.951,646 4.143,647 4.357,648 4.419,649 4.466,650 4.454,651 4.466,652 4.466,653 5.792,654 0.768,655 452.16,656 3.367,657 4.934,658 5.778,659 6.666,660 7.531,661 8.42,662 9.293,663 10.183,664 11.061,665 11.951,666 11.1,671 1,674 1,676 2,681 7,682 2,686 7,687 1,688 17,702 4,703 36,705 19,706 2,707 28,709 38,710 15,711 14,712 7,713 5,717 3,718 3,719 4,729 14,730 1,733 2,736 1,737 2,747 10,748 5,749 1,750 11,751 5,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 4,805 26,808 1,810 1,811 1,822 1,824 4,825 5.6,828 2,832 14.417,833 6.505,834 5.542,835 1.859,836 2.96,837 1.426,838 0.998,839 5.889,840 9.912,841 3.676,842 4.36,843 4.851,844 5.365,845 5.828,846 6.046,847 6.298,848 6.486,849 6.763,850 7.043,851 1,852 40,853 9.829,854 4.541,855 8.155,856 17.456,857 14.319,859 2.655,860 69.028,864 105.94,865 94.885,866 51.385,867 156.595,868 44.313,870 5.807,871 89.077,872 306.847,873 51.385,875 2.106,876 62.236,877 105.693,878 32.319,879 11.771,880 82.398,881 156.595,882 105.94,883 140.462,884 44.313,885 162.402,887 105.94,888 44.313,891 12.93,892 77.924,893 212.011,895 105.94,896 95.698,897 251.479,899 5.807,900 105.94,901 23.601,902 67.253,903 16.405,904 234.111,905 105.94,906 95.698,907 251.479,909 0.602,910 0.344,911 0.163,912 0.091,913 20,914 10,915 0.132,916 5,918 1,919 3.633,920 219.156,922 17,923 120.211,927 1,928 19.576,929 7.822,930 4.577,932 93.921,933 10.177,934 7.578,938 1.679,939 1.524,940 16.405,941 453.117,942 38.5,945 -3.924,946 25.385,952 37.851,953 40.184,954 0.41,955 0.725,956 0.83,957 0.936,958 0.979,959 0.979,960 4.929,961 1.414,962 5.826,963 4.465,964 4.419,965 5.047,966 0.434,967 6.683,968 4.223,969 6.203,970 1.194,971 7.433,972 3.514,973 4.29,974 5.198,976 7.881,977 3.905,978 7.571,979 0.664,980 9.15,981 2.685,982 6.12,983 7.394,984 0.138,985 10.899,986 5.76,987 8.978,988 0.618,989 10.931,990 1.705,991 6.758,992 8.317,994 12.906,995 6.221,996 10.417,997 0.102,998 12.755,999 1.372,1000 8.144,1001 10.061,1002 0.039,1003 15.547,1004 7.612,1005 11.879,1006 -0.244,1007 14.61,1008 0.223,1009 9.099,1010 11.312,1012 17.872,1013 8.422,1014 13.358,1015 -0.347,1016 16.489,1017 -0.698,1018 10.343,1019 12.905,1020 0.011,1021 20.417,1022 9.637,1023 3.41,1024 -0.646,1025 18.386,1026 -0.906,1027 11.433,1028 14.303,1030 22.865,1031 10.609,1032 2.976,1033 12.555,1034 20.298,1035 -1.71,1036 12.636,1037 15.846,1038 0.003,1039 25.389,1040 11.757,1041 2.698,1042 9.513,1043 22.223,1044 4.719,1045 13.787,1046 17.314,1048 27.884,1049 12.805,1050 2.554,1051 8.049,1052 24.159,1053 4.043,1054 14.983,1055 18.844,1056 0.001,1057 30.407,1058 13.93,1059 2.265,1060 7.503,1061 26.104,1062 3.711,1063 16.164,1064 20.347,1066 32.922,1067 15.015,1068 1.711,1069 6.769,1070 28.056,1071 3.48,1072 17.363,1073 21.878,1075 35.446,1076 16.134,1077 1.54,1078 5.052,1079 30.014,1080 3.01,1081 18.56,1082 23.399,1084 37.969,1085 17.237,1086 7071,1087 15666,1088 17.8,1089 28.818,1090 42.587,1091 44.664,1092 43.537,1093 42.673,1094 42.294,1095 57.799,1096 1.043,1097 126.808,1098 37.711,1099 5.723,1100 6.688,1101 6.93,1102 5.399,1103 5.41,1104 7.719,1105 1.043,1106 20.024,1107 5.115,1108 15.542,1109 1.521,1110 1.595,1111 1.555,1112 1.524,1113 1.51,1114 2.064,1115 0.037,1116 4.529,1117 1.347,1118 4.101,1119 4.093,1120 4.74,1121 4.085,1122 7.717,1123 4.008,1124 3.941,1125 3.973,1126 4.117,1127 3.872,1128 6.999,1129 3.86,1130 3.784,1131 3.83,1132 4.055,1133 3.579,1134 5.122,1135 3.597,1136 3.604,1137 3.566,1138 3.816,1139 3.543,1140 5.034,1141 3.473,1142 3.096,1143 3.148,1144 3.403,1145 2.994,1146 5.016,1147 2.976,1148 2.89,1149 2.923,1150 3.4,1151 2.8,1152 4.491,1153 2.778,1154 2.877,1155 2.921,1156 3.324,1157 2.785,1158 4.49,1159 2.761,1160 2.665,1161 2.701,1162 3.092,1163 2.563,1164 4.294,1165 2.53,1166 0.174,1167 0.167,1168 0.261,1169 0.155,1170 0.122,1171 4.867,1172 0.169,1173 4.688,1174 0.019,1175 7.316,1176 0.448,1177 4.33,1178 0.111,1179 3.41,1180 4.719,1181 0.522,1182 12.555,1183 3.115,1184 1.974,1185 1.984,1186 1.969,1187 2.045,1188 1.215,1189 2.073,1190 1.877,1191 1.865,1192 1.903,1193 1.941,1194 1.122,1195 1.958,1196 1.476,1197 1.463,1198 1.617,1199 1.7,1200 0.752,1201 1.686,1202 1.405,1203 1.407,1204 1.369,1205 1.531,1206 0.534,1207 1.571,1208 1.19,1209 1.117,1210 1.162,1211 1.484,1212 0.422,1213 1.446,1214 0.868,1215 0.824,1216 1.089,1217 1.04,1218 0.165,1219 1.061,1220 0.846,1221 0.809,1222 0.976,1223 1.016,1224 0.121,1225 1.051,1226 0.78,1227 0.725,1228 0.842,1229 0.967,1231 0.981,1232 4.043,1233 5.398,1234 2.398,1235 6.93,1236 4.443,1237 8.545,1238 6.26,1239 10.204,1242 23.867,1247 0.246,1248 2.496,1257 27.646,1258 76.295,1259 134.856,1260 154.508,1261 174.117,1262 182.117,1263 182.117,1264 64.102,1265 6.952,1266 76.88,1267 85.26,1268 17,1269 12.482,1270 4.322,1271 3.524,1272 44.053,1273 88,1274 90,1275 0.241,1276 188.688,1277 318.09,1278 452.159,1279 8782,1280 11.1,1281 18.897,1282 0.727,1283 0.641,1284 21.147,1285 16.667,1286 12.259,1287 0.438,1288 0.359,1289 7.212,1290 9.947,1291 6.819,1292 5.584,1293 14.235,1294 10.055,1295 11.99,1296 0.292,1297 0.208,1298 14.773,1299 8.517,1300 9.59,1301 0.188,1302 0.122,1303 12.47,1304 6.22,1305 7.117,1306 0.115,1307 0.064,1308 8.998,1309 3.983,1310 5.61,1311 0.073,1312 0.04,1313 7.74,1314 3.078,1315 0.37,1316 97.413,1317 0.237,1318 24.748,1319 0.691,1320 138,1321 506.413,1322 248.231,1323 630.059,1324 802.49,1325 574,1326 161,1327 466.661,1328 272.738,1329 545.412,1330 789.77,1331 508,1332 6.8}
{0 CHEMBL2207099,1 2.139,2 9.5,3 3.68,4 13.545,5 104.383,6 11.722,7 0.607,8 3.772,9 3.854,10 3.845,11 3.396,12 5.005,13 3.373,14 4.266,15 4.381,16 4.19,17 3.775,18 5.745,19 3.744,20 4.454,21 4.576,22 4.332,23 3.903,24 5.84,25 3.832,26 4.515,27 4.671,28 4.217,29 3.823,30 5.855,31 3.748,32 4.465,33 4.623,34 4.334,35 3.758,36 5.954,37 3.714,38 4.387,39 4.505,40 4.252,41 3.717,42 5.993,43 3.717,44 4.333,45 4.488,46 4.081,47 3.7,48 5.688,49 3.627,50 4.296,51 4.466,52 4.078,53 3.613,54 5.765,55 3.532,56 0.216,57 0.622,58 2.239,59 3.106,60 23.863,61 2.524,62 0.536,63 0.91,64 6.524,65 5.185,66 57.296,67 4.753,68 0.702,69 0.998,70 18.411,71 7.054,72 62.942,73 5.511,74 0.791,75 1.039,76 19.582,77 7.606,78 82.311,79 5.595,80 0.882,81 0.937,82 29.375,83 8.263,84 113.683,85 7.386,86 0.856,87 0.888,88 15.599,89 5.889,90 97.901,91 4.201,92 0.647,93 0.862,94 8.307,95 5.417,96 52.348,97 4.865,98 0.693,99 0.677,100 23.254,101 7.03,102 68.431,103 7.493,104 37,105 41,106 0.38,107 0.72,108 0.813,109 0.874,110 0.883,111 0.883,112 3.305,113 1.041,114 -4.21,115 -4.16,116 -3.93,119 37.8,121 1,124 1,138 4,140 5,141 1,142 1,154 1,159 3,163 1,165 4,166 3,169 2,171 1,172 4,176 8,179 1,181 3,183 6,186 2,187 4,192 2,194 1,197 4,198 6,201 2,203 1,205 3,209 8,212 2,214 1,217 3,220 4,221 3,227 4,230 4,231 7,238 3,242 7,249 2,252 1036,253 16.764,254 16.764,255 16.764,256 16.764,257 16.764,258 14.222,259 16.581,260 9.561,261 17.461,262 13.772,263 13.772,264 13.772,265 13.772,266 13.772,267 10.01,268 16.716,269 4.533,270 15.119,271 3.071,272 1.155,273 0.635,274 0.291,275 0.237,276 0.237,277 3.975,279 3,282 1,283 1,284 521,285 3.464,287 71.082,288 179.551,295 1.423,296 40.123,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 58,308 247,309 4.866,310 4.688,311 7.316,312 4.328,313 3.409,314 4.718,315 0.68,316 12.554,317 3.109,318 4.3,319 3.279,320 6.238,321 3.892,322 2.941,323 3.943,325 9.376,326 2.786,327 4.129,328 3.211,329 5.969,330 3.66,331 2.736,332 3.763,334 8.388,335 2.54,336 4.078,337 2.947,338 5.887,339 3.549,340 2.663,341 3.696,343 8.017,344 2.268,345 3.454,346 2.62,347 4.958,348 2.983,349 2.105,350 2.771,352 5.804,353 1.766,354 3.108,355 2.153,356 4.869,357 2.628,358 1.681,359 2.332,361 5.035,362 1.542,363 2.871,364 1.934,365 4.347,366 2.408,367 1.447,368 2,370 4.078,371 1.364,372 2.819,373 1.614,374 4.042,375 2.304,376 1.414,377 1.946,379 3.512,380 1.194,381 2.612,382 1.377,383 3.996,384 2.172,385 1.229,386 1.651,388 3.258,389 1.153,390 2.551,391 1.166,392 3.416,393 2.081,394 1.104,395 1.572,397 2.386,398 1.075,399 1.625,400 0.789,401 3.256,402 1.253,403 0.34,404 0.421,406 0.85,407 0.295,408 1.369,409 0.676,410 2.919,411 0.84,412 0.1,413 0.121,415 0.22,416 0.06,417 1.05,418 0.265,419 2.7,420 0.694,421 -0.245,422 -0.301,424 -0.7,425 -0.208,426 1,427 0.058,428 2.375,429 0.434,430 -0.437,431 -0.529,433 -1.024,434 -0.34,435 0.827,436 -0.117,437 2.351,438 0.226,439 -0.647,440 -0.84,442 -1.711,443 -0.438,444 13.043,445 0.502,446 0.913,447 0.035,448 36.25,449 1.394,450 19.5,451 0.75,452 16.75,453 0.644,454 20.64,455 0.794,456 27.757,457 0.75,458 27.757,459 1.068,460 7.065,461 0.272,462 5.194,463 0.2,464 0.254,465 0.064,466 0.299,472 0.509,473 1.186,474 0.577,475 1.023,476 0.653,477 0.771,478 0.662,479 1.037,480 0.649,481 0.745,482 0.569,483 0.728,484 1.158,485 1.115,486 1.086,487 1.095,488 1.04,489 1.079,490 1.29,491 1.034,492 0.972,493 1.066,494 1.376,495 1.112,496 0.907,497 0.892,498 0.67,499 0.895,500 1.27,501 0.775,502 1.12,503 1.01,504 0.965,505 1.045,506 1.236,507 0.954,508 0.817,509 1.009,510 0.829,511 0.9,512 0.882,513 1.087,514 0.761,515 0.978,516 1.084,517 1.062,518 0.696,519 0.97,520 7.5,521 0.111,522 4.222,523 2.069,524 1.942,525 1.132,526 0.633,527 0.597,528 0.358,529 0.166,530 7221,531 33088,532 1.983,533 29.7,535 7,537 1,538 1,539 2,542 1.696,543 1.803,544 3.226,545 -0.104,547 1,550 79.128,551 2.139,552 4.055,553 4.574,554 4.919,555 4.973,556 4.973,557 2.669,558 4.316,559 4.674,560 3.389,561 1101.32,562 8.124,563 13608.2,565 1,567 1,568 192.75,569 1.717,570 4.592,571 0.268,572 0.009,573 0.103,574 0.052,575 0.055,576 0.029,577 0.017,578 0.019,579 0.012,580 0.009,581 0.572,582 0.33,583 1,584 0.669,585 125.837,586 0.106,587 0.035,588 0.059,589 -0.099,590 -0.12,591 -0.005,592 0.133,593 0.068,594 0.037,595 0.133,596 0.234,597 0.108,598 -0.245,599 -0.077,600 -0.145,601 -0.093,602 -0.115,603 -0.169,604 -0.309,605 -0.001,606 -0.11,607 -0.038,608 -0.243,609 -0.154,610 0.177,611 0.061,612 0.248,613 0.167,614 0.061,615 0.264,616 -0.018,617 -0.017,618 -0.092,619 -0.152,620 0.031,621 -0.097,622 0.043,623 0.006,624 -0.026,625 -0.01,626 -0.066,627 -0.152,628 0.238,629 -0.124,630 0.06,631 -0.018,632 0.253,633 0.163,634 4.848,635 5.669,636 0.654,637 21.065,638 1.05,639 1.13,640 2.985,641 8.909,642 0.762,643 3.367,644 3.738,645 3.951,646 4.143,647 4.344,648 4.382,649 4.394,650 4.466,651 4.454,652 4.443,653 5.853,654 0.739,655 433.73,656 3.367,657 4.934,658 5.778,659 6.666,660 7.53,661 8.418,662 9.289,663 10.178,664 11.053,665 11.942,666 16.2,671 1,674 1,676 4,681 5,682 4,686 7,687 1,688 17,702 3,703 37,705 19,706 1,707 28,709 39,710 14,711 12,712 3,713 3,717 3,718 3,719 3,727 1,729 12,730 2,733 2,736 1,737 2,744 1,747 11,748 7,749 1,750 12,751 4,755 6,760 1,761 2,770 1,775 1,776 2,796 3,799 1,801 1,802 3,805 26,808 1,810 1,811 1,824 3,825 5.4,828 2,832 14.417,833 7.095,834 5.542,835 1.915,836 3.072,837 1.439,838 0.986,839 5.578,840 10.064,841 3.676,842 4.36,843 4.851,844 5.362,845 5.815,846 5.998,847 6.223,848 6.487,849 6.744,850 7.015,851 1,852 40,853 9.817,854 4.505,855 8.151,856 17.41,857 14.119,859 2.651,860 68.917,864 117.711,865 83.585,866 84.711,867 117.446,868 44.313,870 5.807,871 77.777,872 279.47,873 84.711,874 8.396,875 2.535,876 43.712,877 141.346,878 28.39,880 105.94,881 117.446,882 117.711,883 162.488,884 44.313,885 123.253,887 117.711,888 44.313,891 18.443,892 61.111,893 206.188,895 117.711,896 129.024,897 201.031,899 5.807,900 117.711,901 22.429,902 57.125,903 16.405,904 228.288,905 117.711,906 129.024,907 201.031,909 0.602,910 0.343,911 0.164,912 0.092,913 20,914 10,915 0.128,916 5,918 1,919 3.637,920 218.578,922 17,923 120.211,927 1,928 19.172,929 7.565,930 4.401,932 127.247,933 6.887,934 15.343,938 1.752,939 1.466,940 16.405,941 447.766,942 38.5,945 -3.931,946 25.338,952 38.847,953 41.821,954 0.411,955 0.778,956 0.878,957 0.944,958 0.955,959 0.955,960 4.929,961 1.414,962 5.826,963 4.078,964 4.419,965 5.047,966 0.655,967 6.683,968 4.241,969 6.203,970 1.229,971 7.433,972 3.512,973 4.29,974 5.198,976 7.888,977 3.942,978 7.571,979 1.104,980 9.15,981 3.258,982 6.12,983 7.394,984 0.356,985 10.901,986 5.783,987 8.978,988 0.34,989 10.932,990 2.386,991 6.758,992 8.317,994 12.917,995 6.261,996 10.417,997 0.1,998 12.757,999 0.85,1000 8.148,1001 10.064,1002 0.18,1003 15.552,1004 7.643,1005 11.88,1006 -0.245,1007 14.613,1008 0.22,1009 9.102,1010 11.314,1012 17.88,1013 8.462,1014 13.36,1015 -0.437,1016 16.492,1017 -0.7,1018 10.347,1019 12.907,1020 0.087,1021 20.42,1022 9.669,1023 3.409,1024 -0.647,1025 18.391,1026 -1.024,1027 11.436,1028 14.302,1030 22.868,1031 10.642,1032 2.941,1033 12.554,1034 20.304,1035 -1.711,1036 12.637,1037 15.844,1038 0.041,1039 25.389,1040 11.783,1041 2.736,1042 9.376,1043 22.229,1044 4.718,1045 13.787,1046 17.309,1048 27.884,1049 12.828,1050 2.663,1051 8.388,1052 24.165,1053 3.943,1054 14.98,1055 18.838,1056 0.019,1057 30.405,1058 13.945,1059 2.105,1060 8.017,1061 26.11,1062 3.763,1063 16.159,1064 20.339,1066 32.92,1067 15.025,1068 1.681,1069 5.804,1070 28.061,1071 3.696,1072 17.357,1073 21.868,1074 0.009,1075 35.444,1076 16.138,1077 1.447,1078 5.035,1079 30.019,1080 2.771,1081 18.552,1082 23.389,1084 37.967,1085 17.236,1086 7127,1087 15440,1088 17.8,1089 28.21,1090 42.576,1091 44.513,1092 44.158,1093 42.636,1094 42.337,1095 57.865,1096 1.36,1097 126.961,1098 38.305,1099 5.724,1100 6.688,1101 6.835,1102 5.394,1103 5.409,1104 7.718,1105 1.36,1106 20.021,1107 5.109,1108 15.646,1109 1.521,1110 1.59,1111 1.577,1112 1.523,1113 1.512,1114 2.067,1115 0.049,1116 4.534,1117 1.368,1118 4.095,1119 4.087,1120 4.74,1121 4.078,1122 7.717,1123 3.997,1124 3.926,1125 3.975,1126 4.057,1127 3.802,1128 6.999,1129 3.808,1130 3.779,1131 3.834,1132 3.994,1133 3.57,1134 5.222,1135 3.57,1136 3.596,1137 3.561,1138 3.82,1139 3.498,1140 5.033,1141 3.456,1142 3.119,1143 3.197,1144 3.4,1145 2.968,1146 4.991,1147 2.956,1148 2.929,1149 3.035,1150 3.337,1151 2.794,1152 4.49,1153 2.766,1154 2.878,1155 2.922,1156 3.095,1157 2.683,1158 4.428,1159 2.677,1160 2.807,1161 2.874,1162 2.766,1163 2.583,1164 4.186,1165 2.596,1166 0.174,1167 0.167,1168 0.261,1169 0.155,1170 0.122,1171 4.866,1172 0.169,1173 4.688,1174 0.024,1175 7.316,1176 0.448,1177 4.328,1178 0.111,1179 3.409,1180 4.718,1181 0.68,1182 12.554,1183 3.109,1184 1.962,1185 1.975,1186 1.939,1187 2.041,1188 1.179,1189 2.068,1190 1.837,1191 1.81,1192 1.897,1193 1.938,1194 1.084,1195 1.945,1196 1.526,1197 1.472,1198 1.712,1199 1.788,1200 0.803,1201 1.769,1202 1.396,1203 1.428,1204 1.447,1205 1.541,1206 0.601,1207 1.578,1208 1.176,1209 1.089,1210 1.166,1211 1.465,1212 0.516,1213 1.443,1214 0.868,1215 0.824,1216 1.085,1217 1.165,1218 0.162,1219 1.116,1220 0.797,1221 0.741,1222 0.893,1223 1.017,1224 0.041,1225 1.058,1226 0.728,1227 0.627,1228 0.795,1229 0.97,1231 0.984,1232 4.043,1233 5.398,1234 2.398,1235 6.93,1236 4.595,1237 8.542,1238 6.529,1239 10.195,1241 1.671,1242 17.714,1247 0.208,1248 2.468,1257 27.335,1258 79.128,1259 150.021,1260 169.24,1261 181.995,1262 183.995,1263 183.995,1264 62.026,1265 6.991,1266 102.66,1267 111.04,1268 17,1269 12.474,1270 4.322,1271 3.524,1272 44.094,1273 89,1274 90,1275 0.239,1276 184.352,1277 307.58,1278 441.578,1279 9524,1280 8.1,1281 18.897,1282 0.727,1283 0.626,1284 20.647,1285 16.273,1286 12.259,1287 0.438,1288 0.347,1289 7.187,1290 10.079,1291 6.795,1292 5.6,1293 13.946,1294 9.713,1295 12,1296 0.293,1297 0.199,1298 14.45,1299 8.158,1300 9.538,1301 0.187,1302 0.112,1303 11.793,1304 5.725,1305 7.183,1306 0.116,1307 0.06,1308 8.86,1309 3.717,1310 5.671,1311 0.075,1312 0.038,1313 7.599,1314 2.861,1315 0.367,1316 95.193,1317 0.237,1318 24.779,1319 0.679,1320 138,1321 519.5,1322 236.264,1323 611.659,1324 789.77,1325 558,1326 161,1327 488.261,1328 259.589,1329 555.063,1330 798.81,1331 516,1332 5.7}
{0 CHEMBL2207100,1 2.214,2 8.708,3 4.13,4 17.06,5 100.357,6 12.841,7 0.615,8 3.666,9 3.722,10 3.856,11 3.393,12 4.868,13 3.329,14 4.158,15 4.236,16 4.312,17 3.805,18 5.658,19 3.712,20 4.327,21 4.434,22 4.314,23 3.828,24 5.678,25 3.718,26 4.324,27 4.455,28 4.156,29 3.735,30 5.669,31 3.647,32 4.35,33 4.478,34 4.273,35 3.738,36 5.815,37 3.668,38 4.311,39 4.41,40 4.3,41 3.765,42 5.825,43 3.677,44 4.179,45 4.274,46 4.303,47 3.71,48 5.744,49 3.594,50 4.014,51 4.14,52 4.022,53 3.456,54 5.502,55 3.332,56 0.187,57 0.537,58 2.461,59 2.782,60 22.746,61 2.074,62 0.462,63 0.819,64 10.773,65 5.16,66 50.99,67 3.735,68 0.602,69 0.894,70 20.515,71 7.126,72 60.605,73 5.18,74 0.627,75 0.889,76 21.632,77 7.055,78 63.391,79 5.488,80 0.791,81 0.864,82 26.582,83 7.791,84 95.528,85 6.083,86 0.799,87 0.813,88 19.372,89 6.561,90 92.1,91 4.599,92 0.577,93 0.721,94 19.191,95 6.442,96 57.864,97 5.122,98 0.543,99 0.537,100 20.758,101 5.433,102 54.805,103 4.863,104 26,105 38,106 0.403,107 0.729,108 0.83,109 0.885,110 0.896,111 0.896,112 3.229,113 1.141,114 -3.93,115 -3.88,116 -3.68,119 39.4,125 1,138 4,139 1,140 3,141 1,147 1,149 2,159 2,163 2,165 2,166 1,169 2,171 2,172 7,176 6,181 3,183 6,187 9,190 1,192 2,194 1,198 7,201 1,203 2,205 4,208 2,209 5,212 1,217 4,220 2,221 6,227 5,230 2,231 4,238 4,242 4,249 2,252 850,253 15.557,254 15.557,255 15.557,256 15.557,257 15.557,258 13.198,259 16.356,260 8.973,261 16.439,262 12.828,263 12.828,264 12.828,265 12.828,266 12.828,267 9.298,268 19.944,269 4.3,270 14.499,271 2.83,272 1.038,273 0.485,274 0.182,275 0.121,276 0.121,277 3.898,279 2,280 1,282 1,283 1,284 443,285 3.391,287 134.857,288 84.534,295 1.233,296 36.27,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 53,308 209,309 4.868,310 4.689,311 7.316,312 4.311,313 3.41,314 4.721,315 0.522,316 12.555,317 3.073,318 4.354,319 3.375,320 6.281,321 3.91,322 2.974,323 4.042,325 9.51,326 2.773,327 3.927,328 2.938,329 5.714,330 3.474,331 2.555,332 3.48,334 7.511,335 2.344,336 3.86,337 2.887,338 5.353,339 3.26,340 2.424,341 3.422,343 6.885,344 1.972,345 3.623,346 2.492,347 5.229,348 3.132,349 2.24,350 3.003,352 6.505,353 1.886,354 3.038,355 2.198,356 4.637,357 2.6,358 1.669,359 2.229,361 4.758,362 1.525,363 2.787,364 1.761,365 4.387,366 2.194,367 1.342,368 1.868,370 3.86,371 1.088,372 2.598,373 1.464,374 3.613,375 2.116,376 1.193,377 1.635,379 2.681,380 1.054,381 2.18,382 1.112,383 3.331,384 1.605,385 0.707,386 1.023,388 1.744,389 0.609,390 2.118,391 0.801,392 3.261,393 1.574,394 0.637,395 0.927,397 1.614,398 0.585,399 1.878,400 0.618,401 3,402 1.473,403 0.618,404 0.763,406 1.372,407 0.472,408 1.055,409 0.252,410 2.914,411 0.689,412 -0.243,413 -0.299,415 -0.696,416 -0.204,417 1,418 0.16,419 2.644,420 0.446,421 -0.346,422 -0.407,424 -0.905,425 -0.236,426 0.875,427 0.049,428 2.506,429 0.128,430 -0.755,431 -0.887,433 -1.801,434 -0.403,435 0.571,436 -0.314,437 2.365,439 -0.786,440 -0.997,442 -2.196,443 -0.588,444 12.576,445 0.524,446 0.824,447 0.034,448 32.75,449 1.365,450 17.5,451 0.729,452 15.25,453 0.635,454 19.847,455 0.827,456 25.224,457 0.764,458 22.934,459 0.956,460 6.17,461 0.257,462 5.178,463 0.216,464 0.223,465 0.066,466 0.27,472 0.513,473 1.052,474 0.622,475 0.921,476 0.65,477 0.697,478 0.68,479 1.03,480 0.603,481 0.683,482 0.574,483 0.749,484 1.111,485 1.18,486 1.054,487 1.168,488 1.052,489 1.129,490 1.172,491 1.074,492 0.909,493 1.005,494 1.197,495 1.046,496 1.042,497 0.901,498 0.891,499 0.986,500 1.249,501 0.895,502 1.164,503 0.827,504 1.018,505 0.913,506 1.456,507 0.989,508 0.707,509 1.103,510 1.072,511 1.208,512 0.655,513 1.079,514 1.188,515 0.997,516 1.179,517 0.938,518 1.074,519 1.03,520 7,521 0.033,522 3.333,523 1.847,524 1.894,525 0.764,526 0.76,527 0.527,528 0.264,529 0.119,530 5786,531 27675,532 2.005,533 27.3,535 6,536 1,537 1,538 1,542 1.676,543 1.834,544 3.115,545 -0.095,547 1,550 73.075,551 2.214,552 4.006,553 4.56,554 4.863,555 4.923,556 4.923,557 2.492,558 4.137,559 4.557,560 3.25,561 897.003,562 7.899,563 10466.5,565 1,567 1,568 166.465,569 1.697,570 4.483,571 0.269,572 0.005,573 0.088,574 0.054,575 0.057,576 0.022,577 0.022,578 0.017,579 0.011,580 0.009,581 0.555,582 0.33,583 1,584 0.663,585 112.437,586 0.086,587 0.074,588 0.029,589 -0.064,590 -0.126,591 0.022,592 0.099,593 0.051,594 0.105,595 0.186,596 0.218,597 0.03,598 -0.193,599 -0.188,600 -0.101,601 -0.163,602 -0.115,603 -0.168,604 -0.217,605 -0.08,606 -0.067,607 -0.047,608 -0.137,609 -0.066,610 0.026,611 0.057,612 0.037,613 0.012,614 -0.024,615 0.129,616 -0.047,617 0.134,618 -0.088,619 0.027,620 -0.196,621 -0.077,622 0.246,623 -0.137,624 0.004,625 -0.162,626 0.25,627 -0.086,628 -0.079,629 -0.149,630 -0.017,631 0.042,632 -0.021,633 0.048,634 4.703,635 5.496,636 0.667,637 18.201,638 1.052,639 1.113,640 2.699,641 7.284,642 0.814,643 3.296,644 3.664,645 3.871,646 4.094,647 4.234,648 4.29,649 4.331,650 4.394,651 4.357,652 4.304,653 5.416,654 0.772,655 423.75,656 3.296,657 4.86,658 5.7,659 6.592,660 7.455,661 8.346,662 9.22,663 10.111,664 10.989,665 11.88,666 12.1,671 1,674 1,676 2,681 6,682 2,685 1,686 6,687 1,688 16,702 3,703 33,705 18,706 1,707 26,709 35,710 13,711 12,712 4,713 2,717 3,718 3,719 3,729 12,730 1,733 2,736 1,737 2,744 1,747 9,748 5,749 1,750 11,751 5,755 4,760 1,761 2,775 2,776 1,796 3,799 2,802 3,805 24,808 1,810 1,811 1,820 1,822 1,824 3,825 6.1,828 2,832 13.083,833 5.945,834 5.097,835 1.677,836 2.709,837 1.401,838 1.005,839 5.366,840 9.468,841 3.611,842 4.29,843 4.775,844 5.308,845 5.637,846 5.872,847 6.067,848 6.438,849 6.664,850 6.896,851 0.833,852 34,853 9.067,854 4.182,855 8.128,856 16.22,857 13.385,859 2.628,860 63.083,864 94.169,865 109.808,866 51.385,867 117.446,868 44.313,870 37.085,871 72.723,872 255.928,873 51.385,875 2.106,876 52.76,877 105.693,878 25.441,879 50.92,880 101.904,881 78.297,882 94.169,883 124.108,884 44.313,885 154.531,887 94.169,888 44.313,891 14.603,892 59.896,893 133.713,894 70.426,895 94.169,896 95.698,897 227.254,899 5.807,900 94.169,901 48,902 57.776,903 16.405,904 194.962,905 94.169,906 95.698,907 227.254,909 0.599,910 0.338,911 0.169,912 0.089,913 19,914 9,915 0.143,916 5,918 1,919 3.503,920 196.041,922 16,923 108.039,924 1,927 1,928 17.95,929 7.175,930 4.229,932 93.921,933 9.179,934 7.576,937 0.961,938 1.943,939 1.541,940 16.405,941 417.12,942 36,945 -3.786,946 24.991,952 34.72,953 36.745,954 0.439,955 0.794,956 0.904,957 0.964,958 0.976,959 0.976,960 4.86,961 1.193,962 5.746,963 3.86,964 4.344,965 4.977,966 0.434,967 6.603,968 4.123,969 6.131,970 0.707,971 7.348,972 2.681,973 4.205,974 5.121,976 7.811,977 3.813,978 7.498,979 0.637,980 9.061,981 1.744,982 6.043,983 7.323,984 0.138,985 10.83,986 5.643,987 8.906,988 0.618,989 10.842,990 1.614,991 6.686,992 8.264,994 12.861,995 6.13,996 10.347,997 -0.243,998 12.669,999 1.372,1000 8.072,1001 9.996,1002 0.039,1003 15.505,1004 7.489,1005 11.811,1006 -0.346,1007 14.528,1008 -0.696,1009 9.036,1010 11.269,1012 17.846,1013 8.317,1014 13.294,1015 -0.755,1016 16.413,1017 -0.905,1018 10.281,1019 12.851,1020 0.011,1021 20.395,1022 9.508,1023 3.41,1024 -0.786,1025 18.317,1026 -1.801,1027 11.382,1028 14.267,1030 22.851,1031 10.486,1032 2.974,1033 12.555,1034 20.237,1035 -2.196,1036 12.588,1037 15.806,1038 0.003,1039 25.379,1040 11.616,1041 2.555,1042 9.51,1043 22.169,1044 4.721,1045 13.748,1046 17.287,1048 27.878,1049 12.662,1050 2.424,1051 7.511,1052 24.112,1053 4.042,1054 14.948,1055 18.817,1056 0.001,1057 30.402,1058 13.772,1059 2.24,1060 6.885,1061 26.064,1062 3.48,1063 16.135,1064 20.329,1066 32.918,1067 14.85,1068 1.669,1069 6.505,1070 28.022,1071 3.422,1072 17.339,1073 21.861,1075 35.444,1076 15.954,1077 1.342,1078 4.758,1079 29.985,1080 3.003,1081 18.541,1082 23.388,1084 37.967,1085 17.047,1086 5695,1087 12629,1088 16.701,1089 26.847,1090 40,1091 40.962,1092 39.938,1093 39.922,1094 39.539,1095 54.227,1096 1.043,1097 117.99,1098 34.762,1099 5.729,1100 6.689,1101 6.93,1102 5.48,1103 5.41,1104 7.721,1105 1.043,1106 20.044,1107 5.073,1108 13.351,1109 1.538,1110 1.575,1111 1.536,1112 1.535,1113 1.521,1114 2.086,1115 0.04,1116 4.538,1117 1.337,1118 4.091,1119 4.08,1120 4.793,1121 4.121,1122 7.717,1123 4.002,1124 3.932,1125 3.953,1126 4.168,1127 3.88,1128 6.999,1129 3.853,1130 3.778,1131 3.817,1132 4.106,1133 3.561,1134 5.122,1135 3.595,1136 3.532,1137 3.499,1138 3.816,1139 3.506,1140 5.022,1141 3.395,1142 3.095,1143 3.147,1144 3.403,1145 2.992,1146 4.886,1147 2.974,1148 2.872,1149 2.901,1150 3.322,1151 2.776,1152 4.491,1153 2.754,1154 2.566,1155 2.631,1156 3.159,1157 2.432,1158 4.29,1159 2.367,1160 2.446,1161 2.46,1162 2.711,1163 2.37,1164 4.134,1165 2.323,1166 0.187,1167 0.18,1168 0.281,1169 0.166,1170 0.131,1171 4.868,1172 0.182,1173 4.689,1174 0.02,1175 7.316,1176 0.483,1177 4.311,1178 0.118,1179 3.41,1180 4.721,1181 0.522,1182 12.555,1183 3.073,1184 1.931,1185 1.927,1186 1.965,1187 2.021,1188 1.198,1189 2.034,1190 1.686,1191 1.736,1192 1.624,1193 1.774,1194 0.922,1195 1.822,1196 1.469,1197 1.41,1198 1.602,1199 1.663,1200 0.741,1201 1.662,1202 1.404,1203 1.402,1204 1.369,1205 1.487,1206 0.6,1207 1.512,1208 1.19,1209 1.118,1210 1.174,1211 1.467,1212 0.422,1213 1.447,1214 0.972,1215 0.977,1216 1.02,1217 1.052,1218 0.19,1219 1.108,1220 0.814,1221 0.766,1222 0.869,1223 1.027,1224 0.029,1225 1.041,1226 0.704,1227 0.692,1228 0.782,1229 0.862,1231 0.912,1232 3.97,1233 5.323,1234 3.045,1235 6.841,1236 5.209,1237 8.438,1238 7.125,1239 10.083,1242 17.885,1247 0.278,1248 2.516,1257 25.479,1258 73.075,1259 132.2,1260 150.465,1261 160.465,1262 162.465,1263 162.465,1264 53.948,1265 6.759,1266 76.88,1267 113.5,1268 16,1269 12.411,1270 4.248,1271 3.459,1272 38.969,1273 75,1274 78,1275 0.249,1276 175.229,1277 289.43,1278 419.319,1279 6754,1280 9.1,1281 17.32,1282 0.722,1283 0.653,1284 19.423,1285 15.681,1286 11.348,1287 0.436,1288 0.38,1289 6.646,1290 9.026,1291 6.226,1292 5.103,1293 13.444,1294 9.885,1295 11.14,1296 0.293,1297 0.24,1298 14.456,1299 9.127,1300 8.686,1301 0.185,1302 0.145,1303 11.965,1304 6.819,1305 6.777,1306 0.115,1307 0.082,1308 9.431,1309 4.867,1310 5.004,1311 0.074,1312 0.053,1313 7.894,1314 3.63,1315 0.379,1316 92.856,1317 0.245,1318 23.066,1319 0.72,1320 128,1321 473.07,1322 260.434,1323 587.365,1324 755.78,1325 536,1326 149,1327 440.542,1328 266.369,1329 524.454,1330 761.58,1331 488,1332 6.3}
{0 CHEMBL2207101,1 2.239,2 9.643,3 4.827,4 23.302,5 103.314,6 11.571,7 0.567,8 3.827,9 3.9,10 3.869,11 3.432,12 5.099,13 3.431,14 4.364,15 4.464,16 4.27,17 3.808,18 6.254,19 3.811,20 4.531,21 4.656,22 4.346,23 3.942,24 5.991,25 3.893,26 4.643,27 4.804,28 4.267,29 3.878,30 6.114,31 3.849,32 4.585,33 4.721,34 4.419,35 3.838,36 6.044,37 3.84,38 4.624,39 4.738,40 4.461,41 3.811,42 6.656,43 3.827,44 4.386,45 4.523,46 4.227,47 3.759,48 5.95,49 3.717,50 4.311,51 4.465,52 3.997,53 3.6,54 5.84,55 3.578,56 0.317,57 0.82,58 2.513,59 3.622,60 56.55,61 2.746,62 1.083,63 1.582,64 5.671,65 6.068,66 175.754,67 4.694,68 0.929,69 1.346,70 16.313,71 8.235,72 114.426,73 6.771,74 1.328,75 1.455,76 20.638,77 9.376,78 190.916,79 7.295,80 1.12,81 1.415,82 31.986,83 9.85,84 196.025,85 7.241,86 1.809,87 1.225,88 20.763,89 7.798,90 303.786,91 5.271,92 0.945,93 1.002,94 14.102,95 6.924,96 119.209,97 6.343,98 0.88,99 0.961,100 18.137,101 6.554,102 110.119,103 6.486,104 51,105 45,106 0.394,107 0.685,108 0.802,109 0.881,110 0.89,111 0.89,112 3.375,113 0.982,114 -4.68,115 -4.6,116 -4.32,119 41,125 1,131 1,138 6,139 2,140 4,141 1,147 1,159 2,163 5,165 2,166 1,169 2,171 2,172 7,176 6,181 3,183 7,187 11,190 1,192 3,194 1,198 7,201 1,203 2,205 4,208 2,209 5,212 1,217 6,220 2,221 6,227 6,230 2,231 5,238 5,242 5,249 3,252 1214,253 17.736,254 17.736,255 17.736,256 17.736,257 17.736,258 15.338,259 19.21,260 10.1,261 18.496,262 14.802,263 14.802,264 14.802,265 14.802,266 14.802,267 11.169,268 23.697,269 4.812,270 16.252,271 3.046,272 1.391,273 0.725,274 0.276,275 0.224,276 0.224,277 4.043,279 2,282 1,283 1,284 565,285 4.183,287 76.603,288 198.245,295 1.454,296 62.326,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 65.167,308 270,309 4.869,310 4.69,311 7.326,312 4.348,313 3.434,314 4.717,315 3.825,316 12.586,317 3.129,318 4.418,319 4.455,320 7.099,321 4.135,322 3.273,323 4.043,324 0.522,325 11.63,326 2.861,327 4.343,328 3.375,329 6.28,330 3.905,331 2.967,332 3.74,334 9.505,335 2.75,336 3.927,337 2.929,338 5.713,339 3.474,340 2.555,341 3.48,343 7.508,344 2.345,345 3.642,346 2.502,347 5.333,348 3.186,349 2.281,350 3.016,352 6.797,353 1.943,354 3.447,355 2.22,356 5.009,357 2.959,358 2.007,359 2.748,361 5.782,362 1.856,363 3.033,364 2.181,365 4.582,366 2.592,367 1.655,368 2.223,370 4.702,371 1.524,372 2.733,373 1.683,374 4.39,375 2.245,376 1.294,377 1.804,379 3.843,380 1.207,381 2.598,382 1.417,383 3.63,384 2.117,385 1.193,386 1.635,388 2.686,389 1.087,390 2.564,391 1.17,392 3.493,393 2.076,394 1.089,395 1.59,397 2.499,398 1.067,399 2.118,400 1.082,401 3.326,402 1.605,403 0.658,404 0.927,406 1.691,407 0.609,408 1.879,409 0.618,410 3,411 1.49,412 0.618,413 0.768,415 1.372,416 0.481,417 1.055,418 0.51,419 2.959,420 0.692,421 -0.24,422 -0.295,424 -0.69,425 -0.203,426 1,427 0.51,428 2.742,429 0.449,430 -0.344,431 -0.404,433 -0.898,434 -0.235,435 0.875,436 0.246,437 2.655,438 0.318,439 -0.648,440 -0.876,442 -1.617,443 -0.576,444 13.386,445 0.478,446 1.113,447 0.04,448 37.25,449 1.33,450 19.5,451 0.696,452 17.75,453 0.634,454 22.513,455 0.804,456 31.014,457 0.795,458 32.435,459 1.158,460 7.485,461 0.267,462 5.574,463 0.199,464 0.221,465 0.1,466 0.254,469 3,472 0.532,473 0.933,474 0.596,475 1.042,476 0.644,477 0.796,478 0.499,479 0.752,480 0.678,481 0.805,482 0.435,483 0.845,484 0.81,485 0.95,486 0.988,487 1.111,488 0.7,489 1.155,490 1.187,491 0.976,492 1.068,493 1.003,494 1.153,495 1.034,496 1.047,497 1.035,498 1.068,499 1.311,500 1.163,501 0.967,502 0.855,503 0.651,504 0.987,505 0.758,506 0.983,507 0.945,508 0.704,509 0.796,510 1.018,511 0.999,512 0.67,513 1.054,514 0.868,515 0.927,516 1.138,517 0.993,518 0.759,519 1.054,520 9,521 0.206,522 4.222,523 2.347,524 2.017,525 1.556,526 0.787,527 0.617,528 0.408,529 0.254,530 8651,531 43008,532 1.956,533 28.2,535 8,536 1,537 1,538 1,542 1.716,543 1.768,544 3.264,545 -0.146,550 87.322,551 2.239,552 3.894,553 4.561,554 5.01,555 5.061,556 5.061,557 2.663,558 4.28,559 4.781,560 3.445,561 1302.23,562 8.343,563 16977.9,565 1,568 206.131,569 1.796,570 4.685,571 0.3,572 0.011,573 0.094,574 0.055,575 0.049,576 0.035,577 0.018,578 0.017,579 0.013,580 0.01,581 0.602,582 0.17,583 1,584 0.843,585 138.895,586 0.033,587 -0.005,588 0.069,589 -0.078,590 -0.107,591 0.011,592 0.327,593 0.271,594 0.004,595 0.093,596 0.398,597 -0.033,598 -0.106,599 -0.164,600 -0.046,601 -0.123,602 -0.016,603 -0.172,604 -0.263,605 -0.071,606 -0.115,607 0.031,608 -0.189,609 -0.002,610 -0.153,611 -0.187,612 0.03,613 -0.156,614 -0.204,615 0.079,616 0.267,617 0.262,618 -0.026,619 0.161,620 0.238,621 -0.075,622 0.069,623 -0.026,624 0.048,625 -0.046,626 0.041,627 -0.023,628 -0.047,629 -0.191,630 -0.054,631 -0.094,633 0.017,634 5.923,635 5.642,636 0.607,637 23.883,638 1.067,639 1.147,640 3.452,641 11.919,642 0.735,643 3.434,644 3.829,645 4.007,646 4.205,647 4.419,648 4.5,649 4.564,650 4.575,651 4.533,652 4.575,653 6.11,654 0.735,655 451.28,656 3.434,657 5.017,658 5.855,659 6.756,660 7.618,661 8.517,662 9.389,663 10.286,664 11.163,665 12.061,666 10.3,671 1,674 1,676 2,681 8,682 2,686 6,687 1,688 17,702 2,703 39,705 19,706 2,707 30,709 41,710 16,711 14,712 6,713 6,717 3,718 3,719 2,721 1,726 1,729 14,730 2,733 2,736 1,737 2,745 3,747 11,748 8,749 1,750 12,751 3,755 4,760 1,761 2,775 1,776 2,796 3,799 1,802 2,803 3,805 28,808 1,810 1,811 1,816 1,822 1,824 5,825 5.1,828 2,832 15.833,833 6.981,834 5.847,835 2.006,836 3.005,837 1.422,838 0.997,839 5.802,840 10.119,841 3.726,842 4.398,843 4.874,844 5.396,845 5.857,846 6.082,847 6.391,848 6.595,849 6.78,850 7.082,851 1,852 43,853 11.312,854 5.894,855 8.585,856 18.357,857 15.096,859 3.085,860 86.389,864 117.711,865 108.305,866 51.385,867 78.297,868 44.313,869 44.88,870 5.807,871 102.497,872 240.321,873 96.265,875 2.106,876 71.712,877 105.693,878 73.384,879 11.771,880 94.169,881 86.057,882 117.711,883 153.882,884 89.193,885 84.105,887 117.711,888 89.193,891 20.689,892 83.585,893 133.713,895 162.591,896 95.698,897 186.602,899 5.807,900 125.471,901 19.786,902 76.729,903 16.405,904 200.694,905 117.711,906 140.578,907 186.602,909 0.608,910 0.334,911 0.158,912 0.088,913 22,914 11,915 0.122,916 5,918 1,919 3.747,920 243.819,922 17,923 127.851,927 1,928 20.778,929 7.819,930 4.922,932 138.802,933 9.12,934 7.438,938 -0.908,939 1.418,940 16.405,941 444.891,942 40.5,945 -4.324,946 25.285,952 41.625,953 44.73,954 0.424,955 0.737,956 0.863,957 0.948,958 0.958,959 0.958,960 4.999,961 1.294,962 5.938,963 4.702,964 4.511,965 5.085,966 3.063,967 6.83,968 4.333,969 6.283,970 1.193,971 7.57,972 3.843,973 4.511,974 5.255,975 3.903,976 8.189,977 4.123,978 7.66,979 1.089,980 9.32,981 2.686,982 6.282,983 7.418,984 5.421,985 11.166,986 5.919,987 9.075,988 0.658,989 11.138,990 2.499,991 7.022,992 8.344,993 6.69,994 13.269,995 6.453,996 10.521,997 0.618,998 13,999 1.691,1000 8.392,1001 10.078,1002 8.058,1003 15.897,1004 7.814,1005 11.988,1006 -0.24,1007 14.89,1008 1.372,1009 9.412,1010 11.326,1011 9.388,1012 18.255,1013 8.664,1014 13.473,1015 -0.344,1016 16.8,1017 -0.69,1018 10.66,1019 12.914,1020 10.734,1021 20.791,1022 9.863,1023 3.434,1024 -0.648,1025 18.725,1026 -0.898,1027 11.79,1028 14.31,1029 12.074,1030 23.242,1031 10.853,1032 3.273,1033 12.586,1034 20.661,1035 -1.617,1036 13.002,1037 15.851,1038 13.416,1039 25.754,1040 11.991,1041 2.967,1042 11.63,1043 22.605,1044 4.717,1045 14.176,1046 17.317,1047 14.758,1048 28.239,1049 13.045,1050 2.555,1051 9.505,1052 24.556,1053 4.043,1054 15.38,1055 18.846,1056 16.1,1057 30.748,1058 14.163,1059 2.281,1060 7.508,1061 26.513,1062 3.74,1063 16.574,1064 20.347,1065 17.441,1066 33.248,1067 15.247,1068 2.007,1069 6.797,1070 28.473,1071 3.48,1072 17.779,1073 21.876,1074 18.783,1075 35.758,1076 16.36,1077 1.655,1078 5.782,1079 30.437,1080 3.016,1081 18.982,1082 23.397,1083 20.124,1084 38.267,1085 17.46,1086 8580,1087 19309,1088 18.781,1089 28.676,1090 46.741,1091 46.775,1092 46.364,1093 46.502,1094 46.05,1095 61.384,1096 8.694,1097 141.199,1098 41.717,1099 5.728,1100 6.69,1101 6.94,1102 5.416,1103 5.434,1104 7.717,1105 5.335,1106 20.139,1107 5.129,1108 17.693,1109 1.558,1110 1.559,1111 1.545,1112 1.55,1113 1.535,1114 2.046,1115 0.29,1116 4.707,1117 1.391,1118 4.108,1119 4.101,1120 4.738,1121 4.084,1122 8.513,1123 4.011,1124 3.946,1125 3.984,1126 4.116,1127 3.871,1128 7.999,1129 3.862,1130 3.79,1131 3.839,1132 3.817,1133 3.581,1134 7.999,1135 3.598,1136 3.651,1137 3.624,1138 3.794,1139 3.543,1140 7.717,1141 3.491,1142 3.261,1143 3.304,1144 3.403,1145 2.997,1146 6.999,1147 3.02,1148 3.096,1149 3.148,1150 3.327,1151 2.969,1152 5.121,1153 2.972,1154 2.884,1155 2.923,1156 3.264,1157 2.784,1158 5.021,1159 2.765,1160 2.691,1161 2.753,1162 2.716,1163 2.523,1164 4.652,1165 2.512,1166 0.162,1167 0.156,1168 0.244,1169 0.145,1170 0.114,1171 4.869,1172 0.157,1173 4.69,1174 0.128,1175 7.326,1176 0.42,1177 4.348,1178 0.104,1179 3.434,1180 4.717,1181 3.825,1182 12.586,1183 3.129,1184 1.986,1185 1.992,1186 1.993,1187 2.061,1188 1.222,1189 2.087,1190 1.887,1191 1.87,1192 1.955,1193 1.973,1194 1.143,1195 1.976,1196 1.482,1197 1.49,1198 1.617,1199 1.71,1200 0.755,1201 1.698,1202 1.436,1203 1.408,1204 1.37,1205 1.595,1206 0.591,1207 1.612,1208 1.19,1209 1.117,1210 1.213,1211 1.485,1212 0.422,1213 1.447,1214 1.064,1215 1.025,1216 1.194,1217 1.38,1218 0.26,1219 1.308,1220 0.851,1221 0.809,1222 1.056,1223 1.041,1224 0.143,1225 1.058,1226 0.786,1227 0.726,1228 0.909,1229 0.994,1231 1.006,1232 4.111,1233 5.485,1234 2.398,1235 7.029,1236 4.443,1237 8.65,1238 6.26,1239 10.314,1242 11.983,1243 38.679,1247 0.108,1248 2.263,1253 -4.673,1257 28.668,1258 87.322,1259 151.866,1260 177.866,1261 195.376,1262 197.376,1263 197.376,1264 87.051,1265 7.114,1266 76.88,1267 85.26,1268 17,1269 12.589,1270 4.322,1271 3.524,1272 49.389,1273 102,1274 88,1275 0.237,1276 185.209,1277 323.18,1278 443.671,1279 10938,1280 12.8,1281 20.527,1282 0.733,1283 0.575,1284 19.277,1285 16.11,1286 13.059,1287 0.435,1288 0.327,1289 7.599,1290 11.019,1291 7.324,1292 5.986,1293 13.247,1294 9.821,1295 13.451,1296 0.299,1297 0.181,1298 13.536,1299 8.152,1300 9.89,1301 0.183,1302 0.107,1303 10.894,1304 5.752,1305 7.546,1306 0.114,1307 0.058,1308 8.495,1309 3.836,1310 5.927,1311 0.072,1312 0.035,1313 7.016,1314 2.837,1315 0.365,1316 98.116,1317 0.231,1318 26.344,1319 0.674,1320 150,1321 722.34,1322 246.21,1323 694.414,1324 879.14,1325 632,1326 174,1327 545.936,1328 268.985,1329 586.079,1330 867.44,1331 545,1332 6}
{0 CHEMBL2216810,1 1.641,2 15.791,3 5.803,4 33.669,5 174.662,6 7.922,7 0.362,8 4.47,9 4.588,10 4.113,11 4.07,12 5.488,13 4.01,14 5.056,15 5.23,16 4.526,17 4.507,18 6.046,19 4.409,20 5.372,21 5.587,22 4.633,23 4.681,24 6.329,25 4.551,26 5.431,27 5.654,28 4.735,29 4.687,30 6.435,31 4.545,32 5.418,33 5.644,34 4.615,35 4.629,36 6.55,37 4.505,38 5.422,39 5.658,40 4.609,41 4.605,42 6.477,43 4.468,44 5.369,45 5.596,46 4.585,47 4.539,48 6.506,49 4.427,50 5.28,51 5.475,52 4.591,53 4.504,54 6.545,55 4.396,56 0.02,57 1.147,58 16.451,59 7.833,60 8.885,61 10.195,62 0.336,63 1.972,64 36.699,65 14.058,66 35.588,67 18.387,68 0.573,69 2.465,70 57.975,71 19.962,72 76.106,73 25.533,74 0.702,75 2.551,76 72.05,77 21.653,78 88.709,79 27.16,80 0.828,81 2.512,82 60.175,83 20.563,84 141.638,85 26.658,86 0.728,87 2.43,88 67.74,89 20.907,90 107.951,91 26.584,92 0.757,93 2.299,94 62.983,95 19.379,96 115.579,97 23.799,98 0.997,99 2.098,100 57.851,101 17.75,102 163.218,103 21.314,104 37,105 65,106 0.249,107 0.538,108 0.743,109 0.853,110 0.885,111 0.893,112 3.788,113 1.064,114 -5.47,115 -5.35,116 -5,119 40.7,120 1,121 5,125 5,127 2,128 1,138 10,139 4,140 2,151 3,163 15,165 1,166 6,169 2,171 4,172 25,175 1,176 5,179 1,181 2,183 18,187 8,190 1,192 4,194 20,197 3,198 6,201 3,203 5,205 9,208 1,209 10,214 6,217 10,220 1,221 12,226 5,227 7,230 1,231 11,234 2,235 1,236 3,238 9,241 1,242 12,247 1,249 10,252 4607,253 28.982,254 28.982,255 28.982,256 28.982,257 28.982,258 26.501,259 30.862,260 17.291,261 29.643,262 23.215,263 23.215,264 23.215,265 23.215,266 23.215,267 19.377,268 35.711,269 8.247,270 24.382,271 4.699,272 2.792,273 1.444,274 0.713,275 0.503,276 0.454,277 4.488,279 2,284 1470,285 4.637,287 135.59,288 603.291,292 234.228,295 2.716,296 49.99,299 0.5,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.7,307 91.667,308 679,309 4.529,310 4.788,311 6.875,312 4.191,313 3.266,314 4.446,315 3.784,316 11.459,317 3.097,318 4.432,319 3.678,320 6.664,321 4.105,322 3.11,323 3.947,324 1.963,325 10.702,326 3.008,327 4.109,328 3.616,329 6.205,330 3.742,331 2.796,332 3.388,333 1.909,334 9.038,335 2.626,336 3.789,337 3.533,338 5.696,339 3.512,340 2.534,341 3.079,342 1.859,343 7.58,344 2.469,345 3.64,346 3.265,347 5.496,348 3.453,349 2.52,350 2.844,351 0.901,352 7.02,353 2.356,354 3.544,355 3.214,356 5.34,357 3.35,358 2.361,359 2.812,360 0.8,361 6.964,362 2.315,363 3.516,364 3.001,365 5.134,366 3.181,367 2.229,368 2.696,369 0.561,370 6.215,371 2.149,372 3.462,373 2.83,374 5.011,375 3.042,376 2.087,377 2.519,378 0.215,379 5.871,380 1.878,381 3.118,382 2.649,383 4.827,384 2.665,385 1.751,386 2.427,388 5.119,389 1.618,390 2.981,391 2.539,392 4.617,393 2.618,394 1.618,395 2.09,397 4.442,398 1.606,399 2.816,400 1.822,401 4.382,402 2.572,403 1.614,404 1.931,406 4.005,407 1.51,408 2.749,409 1.748,410 4.002,411 2.45,412 1.54,413 1.8,415 3.361,416 1.378,417 2.66,418 1.68,419 3.909,420 2.363,421 1.388,422 1.675,424 3.295,425 1.276,426 2.606,427 1.618,428 3.714,429 2.249,430 1.261,431 1.6,433 3.122,434 1.246,435 2.554,436 1.583,437 3.576,438 2.224,439 1.238,440 1.506,442 2.768,443 1.207,444 21.362,445 0.497,446 1.048,447 0.024,448 47.75,449 1.11,450 20.5,451 0.477,452 27.25,453 0.634,454 52.065,455 1.211,456 47.038,457 0.581,458 40.407,459 0.94,460 8.685,461 0.202,462 12.111,463 0.282,464 0.137,466 0.318,472 0.637,473 1.29,474 0.654,475 0.95,476 0.511,477 0.943,478 0.673,479 1.163,480 0.826,481 1,482 0.51,483 0.982,484 1.01,485 0.979,486 0.94,487 0.953,488 0.988,489 0.96,490 1.029,491 1.053,492 0.9,493 1.025,494 1.091,495 0.983,496 0.851,497 1.082,498 0.791,499 0.999,500 0.987,501 0.961,502 1.097,503 1.016,504 0.884,505 0.967,506 1.208,507 0.949,508 1.411,509 0.949,510 0.968,511 0.946,512 1.571,513 0.861,514 1.465,515 1.007,516 1.112,517 1.037,518 1.734,519 0.988,520 8,521 0.398,522 4.667,523 3.576,524 2.495,525 1.741,526 1.092,527 0.88,528 0.525,529 0.517,530 33940,531 86069,532 2.072,533 46.9,534 2,535 22,536 1,538 2,539 2,540 7,541 2,542 1.82,543 1.94,544 3.89,545 0.114,550 132.887,551 1.641,552 3.548,553 4.895,554 5.627,555 5.837,556 5.886,557 3.395,558 5.24,559 5.392,560 4.131,561 3730.72,562 9.565,563 70362.1,568 513.528,569 1.406,570 5.357,571 0.17,572 0.007,573 0.072,574 0.053,575 0.038,576 0.026,577 0.018,578 0.014,579 0.009,580 0.009,581 0.415,582 0.17,583 0.5,584 0.523,585 249.886,586 -0.026,587 -0.094,588 0.034,589 0.013,590 -0.009,591 0.023,592 0.069,593 -0.003,594 0.012,595 0.002,596 0.058,597 -0.017,598 -0.058,599 0.071,600 -0.003,601 0.044,602 -0.069,603 0.015,604 0.006,605 -0.03,606 0.102,607 0.004,608 -0.029,609 -0.001,610 0.202,611 -0.07,612 0.074,613 -0.023,614 0.19,615 0.005,616 0.028,617 -0.032,618 0.078,619 0.008,620 0.005,621 0.021,622 -0.051,623 0.055,624 0.049,625 0.057,626 -0.017,627 0.091,628 0.075,629 0.006,630 -0.028,631 -0.021,632 0.082,633 -0.043,634 1.983,635 6.675,636 0.628,637 62.946,638 1,639 1.122,640 4.243,641 18.005,642 0.685,643 3.871,644 4.19,645 4.454,646 4.727,647 4.934,648 4.977,649 5.088,650 5.159,651 5.252,652 5.257,653 9.399,654 0.636,655 641.72,656 3.871,657 5.416,658 6.263,659 7.141,660 8.008,661 8.893,662 9.77,663 10.66,664 11.544,665 12.438,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 81,705 20,706 3,707 47,709 85,710 33,711 16,712 6,713 10,717 5,718 6,719 2,721 1,724 4,727 7,729 19,730 14,733 3,737 3,741 3,747 38,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 2,784 1,792 1,796 4,797 1,799 1,801 1,802 2,805 43,810 10,811 2,813 1,814 3,815 2,824 2,825 3.7,828 3,832 22.167,833 14.436,834 9.472,835 5.178,836 2.756,837 1.328,838 0.968,839 11.304,840 11.155,841 4.086,842 4.615,843 5.116,844 5.639,845 6.146,846 6.313,847 6.607,848 6.895,849 7.178,850 6.981,851 0.909,852 68,853 16.134,854 7.021,855 7.734,856 31.051,857 26.214,859 2.234,860 96.056,864 423.76,865 191.641,866 42.27,867 78.297,868 75.435,870 32.22,871 159.421,872 577.492,873 42.27,874 8.825,875 62.347,876 94.762,877 89.549,878 21.643,879 11.771,880 444.208,881 78.297,882 423.76,883 201.691,884 75.435,885 110.517,887 317.82,888 181.375,891 74.297,892 127.395,893 78.297,894 32.22,895 423.76,896 117.705,897 269.938,900 423.76,901 88.053,902 109.836,903 36.022,904 153.732,905 423.76,906 117.705,907 269.938,909 0.578,910 0.337,911 0.187,912 0.103,913 29,914 14,915 0.129,916 11,917 1,918 1.074,919 5.206,920 433.536,921 0.074,922 27,923 227.329,924 1,928 32.118,929 15.134,930 8.257,931 2.181,932 117.705,933 19.226,938 2.606,940 36.022,941 811.403,942 58.5,946 39.894,950 -0.703,952 81.018,953 90.903,954 0.259,955 0.56,956 0.772,957 0.887,958 0.921,959 0.928,960 5.339,961 2.087,962 6.244,963 6.215,964 4.875,965 5.303,966 3.915,967 7.052,968 4.78,969 6.512,970 1.751,971 7.8,972 5.871,973 4.443,974 5.085,975 2.909,976 7.951,977 4.268,978 7.803,979 1.618,980 9.459,981 5.119,982 6.46,983 7.402,984 6.084,985 11.085,986 6.279,987 9.126,988 1.614,989 11.18,990 4.442,991 6.858,992 8.026,993 5.238,994 12.86,995 6.6,996 10.484,997 1.54,998 12.944,999 4.005,1000 8.343,1001 9.856,1002 8.608,1003 15.517,1004 8.073,1005 11.867,1006 1.388,1007 14.737,1008 3.361,1009 9.137,1010 10.896,1011 7.914,1012 17.66,1013 8.797,1014 13.27,1015 1.261,1016 16.553,1017 3.295,1018 10.41,1019 12.527,1020 11.213,1021 20.157,1022 10.046,1023 3.266,1024 1.238,1025 18.387,1026 3.122,1027 11.396,1028 13.781,1029 10.72,1030 22.456,1031 10.969,1032 3.11,1033 11.459,1034 20.234,1035 2.768,1036 12.586,1037 15.323,1038 13.839,1039 24.898,1040 12.126,1041 2.796,1042 10.702,1043 22.093,1044 4.446,1045 13.663,1046 16.687,1047 13.531,1048 27.262,1049 13.145,1050 2.534,1051 9.038,1052 23.961,1053 3.947,1054 14.826,1055 18.191,1056 16.47,1057 29.687,1058 14.268,1059 2.52,1060 7.58,1061 25.837,1062 3.388,1063 15.945,1064 19.611,1065 16.323,1066 32.081,1067 15.335,1068 2.361,1069 7.02,1070 27.719,1071 3.079,1072 17.101,1073 21.099,1074 19.103,1075 34.501,1076 16.447,1077 2.229,1078 6.964,1079 29.606,1080 2.844,1081 18.243,1082 22.548,1083 19.094,1084 36.909,1085 17.537,1086 31878,1087 51183,1088 31.323,1089 55.455,1090 70.38,1091 74.973,1092 72.141,1093 70.215,1094 69.806,1095 85.63,1096 23.983,1097 198.351,1098 66.295,1099 5.529,1100 6.788,1101 6.677,1102 5.332,1103 5.266,1104 7.446,1105 7.434,1106 18.974,1107 5.097,1108 21.952,1109 1.497,1110 1.595,1111 1.535,1112 1.494,1113 1.485,1114 1.822,1115 0.51,1116 4.22,1117 1.411,1118 4.104,1119 4.127,1120 4.17,1121 4.063,1122 7.435,1123 4.057,1124 3.977,1125 4,1126 4.045,1127 3.928,1128 7.427,1129 3.908,1130 3.864,1131 3.929,1132 3.958,1133 3.71,1134 7.422,1135 3.705,1136 3.776,1137 3.804,1138 3.733,1139 3.671,1140 5.015,1141 3.653,1142 3.666,1143 3.724,1144 3.589,1145 3.484,1146 4.897,1147 3.49,1148 3.582,1149 3.639,1150 3.567,1151 3.448,1152 4.628,1153 3.438,1154 3.451,1155 3.5,1156 3.518,1157 3.305,1158 4.364,1159 3.307,1160 3.365,1161 3.421,1162 3.344,1163 3.211,1164 4.353,1165 3.205,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.529,1172 0.095,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.191,1178 0.066,1179 3.266,1180 4.446,1181 3.784,1182 11.459,1183 3.097,1184 2.085,1185 2.066,1186 2.169,1187 2.14,1188 1.419,1189 2.151,1190 1.896,1191 1.882,1192 2.065,1193 2.032,1194 1.34,1195 2.047,1196 1.839,1197 1.773,1198 1.945,1199 1.963,1200 1.19,1201 1.973,1202 1.677,1203 1.639,1204 1.874,1205 1.879,1206 1.171,1207 1.875,1208 1.629,1209 1.569,1210 1.836,1211 1.841,1212 1.102,1213 1.844,1214 1.54,1215 1.496,1216 1.733,1217 1.715,1218 0.946,1219 1.726,1220 1.454,1221 1.402,1222 1.642,1223 1.63,1224 0.872,1225 1.653,1226 1.374,1227 1.319,1228 1.613,1229 1.532,1230 0.825,1231 1.563,1232 4.554,1233 5.872,1234 2.398,1235 7.378,1236 4.844,1237 8.974,1238 7.018,1239 10.621,1241 1.946,1242 12.694,1247 8.245,1248 6.054,1250 1.344,1251 -1.401,1252 3.97,1257 51.554,1258 132.887,1259 287.368,1260 396.534,1261 455.753,1262 472.773,1263 476.773,1264 116.214,1265 8.399,1266 81.75,1267 107.05,1268 29,1269 12.967,1270 4.392,1271 3.644,1272 71.237,1273 235,1274 282,1275 0.139,1276 325.112,1277 575.22,1278 785.033,1279 61309,1280 2.5,1281 30.346,1282 0.706,1283 0.621,1284 31.7,1285 26.688,1286 20.796,1287 0.442,1288 0.355,1289 14.973,1290 19.232,1291 14.493,1292 11.909,1293 21.781,1294 16.668,1295 18.728,1296 0.288,1297 0.206,1298 20.123,1299 13.408,1300 15.391,1301 0.181,1302 0.12,1303 16.844,1304 10.163,1305 13.097,1306 0.117,1307 0.071,1308 14.933,1309 7.99,1310 10.381,1311 0.075,1312 0.04,1313 11.695,1314 5.535,1315 0.222,1316 138.952,1317 0.179,1318 38.479,1319 0.372,1320 224,1321 612.43,1322 296.465,1323 671.756,1324 884.5,1325 626,1326 262,1327 569.635,1328 324.412,1329 607.717,1330 895.73,1331 574,1332 6.959}
{0 CHEMBL22587,1 1.696,2 21.184,3 6.467,4 41.82,5 190.01,6 8.112,7 0.418,8 4.585,9 4.7,10 4.234,11 4.087,12 5.649,13 4.081,14 5.164,15 5.333,16 4.646,17 4.496,18 6.204,19 4.481,20 5.42,21 5.615,22 4.71,23 4.673,24 6.421,25 4.616,26 5.506,27 5.701,28 4.8,29 4.739,30 6.545,31 4.661,32 5.581,33 5.813,34 4.66,35 4.736,36 6.542,37 4.636,38 5.501,39 5.742,40 4.617,41 4.642,42 6.444,43 4.541,44 5.342,45 5.567,46 4.543,47 4.533,48 6.314,49 4.44,50 5.235,51 5.445,52 4.408,53 4.487,54 6.195,55 4.383,56 0.13,57 1.327,58 16.301,59 7.63,60 13.863,61 9.748,62 0.747,63 2.136,64 35.637,65 12.526,66 45.569,67 16.309,68 1.093,69 2.504,70 53.42,71 17.266,72 73.234,73 22.44,74 1.141,75 2.687,76 62.165,77 19.947,78 96.014,79 25.952,80 1.111,81 2.806,82 65.78,83 21.585,84 105.305,85 29.297,86 1.129,87 2.564,88 64.601,89 19.666,90 97.322,91 26.896,92 1.061,93 2.194,94 56.492,95 16.772,96 77.487,97 22.459,98 0.791,99 2.035,100 46.761,101 15.908,102 59.214,103 21.179,104 28,105 79,106 0.252,107 0.565,108 0.738,109 0.822,110 0.841,111 0.845,112 3.914,113 0.936,114 -6.36,115 -6.19,116 -5.75,119 40.2,120 2,121 1,125 7,127 2,130 1,138 11,139 1,140 6,144 1,151 1,152 1,153 1,159 2,163 7,165 7,166 12,172 12,175 5,176 14,183 8,186 3,187 19,194 3,197 4,198 20,208 1,209 15,217 4,220 4,221 9,227 12,230 4,231 3,238 14,241 1,242 8,249 12,252 5866,253 33.479,254 33.479,255 33.479,256 33.479,257 33.479,258 30.434,259 47.703,260 19.322,261 34.515,262 27.022,263 27.022,264 27.022,265 27.022,266 27.022,267 22.449,268 65.52,269 9.028,270 28.823,271 4.747,272 2.641,273 1.475,274 0.908,275 0.776,276 0.753,277 4.629,279 2,284 2303,285 4.123,287 513.322,288 776.899,295 3.479,296 46.762,299 0.25,300 0.17,301 0.33,302 0.7,303 0.5,304 0.33,305 0.5,306 0.4,307 106.667,308 1038,309 4.673,310 4.131,311 7.723,312 4.546,313 3.565,314 4.082,315 1.877,316 14.392,317 3.496,318 4.371,319 3.861,320 6.728,321 4.116,322 3.17,323 3.8,324 1.708,325 10.824,326 2.992,327 4.158,328 3.208,329 6.203,330 3.879,331 2.938,332 3.692,333 0.86,334 9.243,335 2.766,336 4.069,337 3.115,338 6.092,339 3.732,340 2.778,341 3.507,342 0.8,343 8.877,344 2.652,345 3.99,346 3.012,347 5.984,348 3.559,349 2.647,350 3.423,351 0.8,352 8.355,353 2.416,354 3.825,355 2.871,356 5.868,357 3.5,358 2.553,359 3.206,360 0.778,361 7.988,362 2.376,363 3.727,364 2.767,365 5.408,366 3.42,367 2.494,368 2.961,369 0.532,370 7.128,371 2.301,372 3.641,373 2.68,374 5.32,375 3.33,376 2.404,377 2.868,378 0.179,379 6.863,380 2.213,381 3.379,382 2.607,383 5.173,384 3.128,385 2.199,386 2.558,388 6.367,389 2.015,390 3.172,391 2.552,392 4.974,393 2.928,394 1.95,395 2.227,397 5.389,398 1.898,399 3.117,400 2.412,401 4.886,402 2.741,403 1.877,404 2.191,406 5.349,407 1.61,408 2.925,409 2.013,410 4.547,411 2.633,412 1.663,413 1.989,415 4.613,416 1.522,417 2.814,418 1.818,419 4.238,420 2.261,421 1.317,422 1.815,424 3.684,425 1.226,426 2.726,427 1.65,428 4.174,429 2.243,430 1.297,431 1.716,433 3.387,434 1.191,435 2.555,436 1.53,437 4.003,438 2.12,439 1.161,440 1.574,442 2.767,443 1.105,444 23.462,445 0.479,446 1.202,447 0.025,448 61,449 1.245,450 27,451 0.551,452 34,453 0.694,454 52.243,455 1.066,456 53.338,457 0.613,458 52.984,459 1.081,460 11.865,461 0.242,462 11.948,463 0.244,464 0.118,465 0.021,466 0.298,472 0.753,473 1.505,474 0.608,475 1.13,476 0.62,477 0.981,478 1.055,479 1.094,480 0.728,481 0.87,482 0.704,483 0.854,484 1.228,485 0.937,486 0.961,487 0.894,488 0.923,489 0.928,490 1.005,491 1.135,492 0.901,493 1.124,494 0.974,495 1.109,496 0.99,497 1.01,498 0.868,499 1.005,500 1.238,501 1.015,502 0.968,503 0.993,504 0.898,505 0.974,506 1.02,507 0.968,508 1.044,509 0.885,510 1.067,511 0.982,512 0.779,513 0.98,514 0.926,515 1.004,516 1.031,517 1.08,518 0.846,519 1.098,520 10.5,521 0.303,522 6.889,523 3.701,524 2.345,525 2.123,526 1.171,527 0.687,528 0.53,529 0.411,530 58696,531 163140,532 2.14,533 43.7,534 3,535 27,537 3,540 5,542 1.839,543 2.021,544 4.266,545 -0.711,550 147.59,551 1.696,552 3.802,553 4.968,554 5.535,555 5.667,556 5.69,557 3.704,558 5.288,559 5.587,560 4.546,561 5346.18,562 9.878,563 119487,568 560.536,569 1.435,570 5.551,571 0.191,572 0.006,573 0.087,574 0.046,575 0.029,576 0.028,577 0.017,578 0.011,579 0.009,580 0.007,581 0.432,582 0.17,583 0.38,584 0.68,585 302.971,586 0.021,587 -0.27,588 0.052,589 -0.143,590 -0.02,591 -0.049,592 0.02,593 0.054,594 0.046,595 0.061,596 0.049,597 0.052,598 -0.087,599 0.105,600 -0.055,601 0.071,602 -0.006,603 0.018,604 0.053,605 -0.126,606 0.009,607 -0.131,608 0.048,609 -0.134,610 -0.014,611 -0.051,612 0.003,613 -0.029,614 -0.071,615 -0.02,616 0.008,617 -0.042,618 0.055,619 0.006,620 -0.019,621 0.031,622 0.002,623 0.092,624 -0.015,625 0.015,626 -0.002,627 0.009,628 -0.003,629 -0.014,630 -0.082,631 -0.064,632 -0.062,633 -0.092,634 2.409,635 5.802,636 0.796,637 84.268,638 1.01,639 1.131,640 5.127,641 26.29,642 0.675,643 4.025,644 4.382,645 4.691,646 4.963,647 5.142,648 5.288,649 5.434,650 5.521,651 5.638,652 5.762,653 12.293,654 0.645,655 705.71,656 4.025,657 5.595,658 6.466,659 7.361,660 8.245,661 9.146,662 10.036,663 10.94,664 11.833,665 12.739,666 9.2,672 2,673 2,674 1,675 1,676 2,681 13,682 2,686 7,687 1,688 23,699 2,701 1,702 2,703 87,705 25,706 3,707 55,709 93,710 35,711 20,712 7,713 11,717 7,718 7,719 2,720 1,721 2,724 2,727 4,729 22,730 13,733 2,737 1,739 1,740 1,741 1,747 38,748 11,750 14,751 2,755 8,757 1,760 1,761 4,775 3,776 4,795 2,796 7,801 2,802 2,805 49,810 8,812 3,814 2,815 4,816 1,822 1,824 2,825 4.6,828 1,829 2,830 1,832 24.25,833 16.136,834 10.653,835 5.396,836 3.65,837 1.375,838 0.982,839 10.33,840 13.375,841 4.241,842 4.794,843 5.319,844 5.831,845 6.222,846 6.426,847 6.739,848 7.01,849 7.267,850 7.553,851 0.929,852 81,853 18.173,854 7.865,855 7.663,856 34.904,857 29.19,859 2.163,860 105.972,864 447.302,865 197.969,866 64.263,867 78.297,868 58.145,871 197.969,872 583.744,873 64.263,874 17.65,875 28.374,876 104.239,877 133.144,878 68.007,879 4.276,880 411.989,881 78.297,882 447.302,883 262.232,884 58.145,885 78.297,887 388.446,888 95,889 22,891 81.701,892 147.082,893 111.746,895 447.302,896 122.407,897 276.266,900 447.302,901 50.224,902 161.896,904 186.553,905 447.302,906 122.407,907 276.266,909 0.588,910 0.354,911 0.19,912 0.096,913 39,914 17,915 0.118,916 11,918 1,919 5.839,920 524.613,922 39,923 263.121,928 34.089,929 14.849,930 7.406,932 120.631,933 24.59,934 8.276,938 5.482,939 1.651,941 845.976,942 68.5,946 12.802,948 1.599,949 4.298,950 -0.117,952 87.909,953 98.355,954 0.263,955 0.59,956 0.771,957 0.859,958 0.88,959 0.883,960 5.516,961 2.404,962 6.472,963 7.128,964 5.069,965 5.483,966 2.853,967 7.332,968 4.947,969 6.706,970 2.199,971 8.066,972 6.863,973 4.745,974 5.198,975 2.011,976 8.5,977 4.561,978 8.012,979 1.95,980 9.768,981 6.367,982 6.737,983 7.562,984 3.477,985 11.599,986 6.52,987 9.352,988 1.877,989 11.541,990 5.389,991 7.273,992 8.092,993 3.393,994 13.697,995 7.02,996 10.727,997 1.663,998 13.365,999 5.349,1000 8.733,1001 9.922,1002 4.433,1003 16.413,1004 8.452,1005 12.124,1006 1.317,1007 15.227,1008 4.613,1009 9.649,1010 10.825,1011 4.693,1012 18.872,1013 9.348,1014 13.541,1015 1.297,1016 17.12,1017 3.684,1018 10.931,1019 12.428,1020 5.526,1021 21.52,1022 10.609,1023 3.565,1024 1.161,1025 19.038,1026 3.387,1027 12.019,1028 13.526,1029 5.953,1030 24.109,1031 11.686,1032 3.17,1033 14.392,1034 20.977,1035 2.767,1036 13.25,1037 15.019,1038 6.68,1039 26.755,1040 12.902,1041 2.938,1042 10.824,1043 22.933,1044 4.082,1045 14.418,1046 16.227,1047 7.192,1048 29.39,1049 14.062,1050 2.778,1051 9.243,1052 24.904,1053 3.8,1054 15.643,1055 17.662,1056 7.865,1057 32.044,1058 15.275,1059 2.647,1060 8.877,1061 26.887,1062 3.692,1063 16.851,1064 18.936,1065 8.423,1066 34.697,1067 16.474,1068 2.553,1069 8.355,1070 28.88,1071 3.507,1072 18.082,1073 20.342,1074 9.069,1075 37.356,1076 17.695,1077 2.494,1078 7.988,1079 30.882,1080 3.423,1081 19.311,1082 21.656,1083 9.652,1084 40.016,1085 18.914,1086 53637,1087 89906,1088 37.274,1089 58.762,1090 83.775,1091 85.003,1092 86.388,1093 83.018,1094 82.707,1095 101.49,1096 15.067,1097 244.84,1098 77.416,1099 5.673,1100 6.131,1101 7.333,1102 5.638,1103 5.565,1104 7.082,1105 3.269,1106 22.353,1107 5.496,1108 23.701,1109 1.523,1110 1.546,1111 1.571,1112 1.509,1113 1.504,1114 1.845,1115 0.274,1116 4.452,1117 1.408,1118 4.05,1119 4.09,1120 4.118,1121 3.932,1122 7.428,1123 3.937,1124 3.976,1125 4.014,1126 3.96,1127 3.876,1128 5.105,1129 3.878,1130 3.914,1131 3.953,1132 3.869,1133 3.819,1134 5.021,1135 3.823,1136 3.824,1137 3.88,1138 3.838,1139 3.604,1140 4.875,1141 3.633,1142 3.793,1143 3.848,1144 3.722,1145 3.586,1146 4.8,1147 3.611,1148 3.685,1149 3.728,1150 3.648,1151 3.498,1152 4.759,1153 3.507,1154 3.628,1155 3.672,1156 3.559,1157 3.437,1158 4.62,1159 3.459,1160 3.473,1161 3.541,1162 3.516,1163 3.253,1164 4.611,1165 3.277,1166 0.085,1167 0.075,1168 0.14,1169 0.083,1170 0.065,1171 4.673,1172 0.074,1173 4.131,1174 0.034,1175 7.723,1176 0.262,1177 4.546,1178 0.064,1179 3.565,1180 4.082,1181 1.877,1182 14.392,1183 3.496,1184 1.939,1185 1.903,1186 2.06,1187 2.083,1188 1.314,1189 2.08,1190 1.901,1191 1.889,1192 1.982,1193 1.989,1194 1.223,1195 1.987,1196 1.879,1197 1.853,1198 1.958,1199 1.981,1200 1.174,1201 1.981,1202 1.706,1203 1.639,1204 1.954,1205 1.907,1206 1.115,1207 1.923,1208 1.643,1209 1.582,1210 1.842,1211 1.838,1212 1.074,1213 1.84,1214 1.528,1215 1.48,1216 1.75,1217 1.776,1218 0.99,1219 1.753,1220 1.511,1221 1.456,1222 1.673,1223 1.727,1224 0.874,1225 1.735,1226 1.23,1227 1.178,1228 1.601,1229 1.508,1230 0.825,1231 1.533,1232 4.71,1233 6.057,1234 3.434,1235 7.592,1236 5.733,1237 9.211,1238 7.774,1239 10.876,1241 4.048,1242 12.74,1247 5.282,1249 18.869,1251 -0.268,1252 7.88,1253 -1.159,1257 56.114,1258 147.59,1259 330.776,1260 432.244,1261 481.517,1262 493.026,1263 495.026,1264 90.842,1265 9.725,1266 104.7,1267 104.7,1268 39,1269 13.26,1270 4.7,1271 3.858,1272 71.499,1273 374,1274 356,1275 0.091,1276 343.698,1277 603.2,1278 830.382,1279 328968,1280 2.3,1281 33.959,1282 0.693,1283 0.589,1284 34.959,1285 28.873,1286 23.814,1287 0.433,1288 0.312,1289 16.179,1290 22.105,1291 15.789,1292 12.958,1293 24.391,1294 17.164,1295 21.685,1296 0.274,1297 0.166,1298 22.464,1299 13.145,1300 19.139,1301 0.177,1302 0.09,1303 19.72,1304 9.698,1305 16.106,1306 0.113,1307 0.048,1308 16.895,1309 6.793,1310 12.037,1311 0.071,1312 0.026,1313 12.425,1314 4.394,1315 0.152,1316 156.579,1317 0.164,1318 43.525,1319 0.228,1320 268,1321 796.51,1322 331.664,1323 812.533,1324 1106.45,1325 764,1326 321,1327 790.883,1328 378.842,1329 805.228,1330 1192.62,1331 759,1332 6.301}
{0 CHEMBL2321924,1 1.928,2 12.188,3 3.868,4 14.96,5 127.136,6 9.628,7 0.6,8 4.062,9 4.144,10 3.987,11 3.701,12 5.226,13 3.653,14 4.568,15 4.686,16 4.419,17 4.103,18 5.949,19 4.03,20 4.784,21 4.93,22 4.368,23 4.147,24 6.031,25 4.079,26 4.85,27 5.028,28 4.349,29 4.113,30 6.138,31 4.05,32 4.823,33 5.008,34 4.364,35 4.104,36 6.108,37 4.046,38 4.808,39 4.976,40 4.296,41 4.154,42 6.162,43 4.079,44 4.831,45 5.005,46 4.291,47 4.154,48 6.095,49 4.075,50 4.749,51 4.903,52 4.173,53 4.103,54 5.981,55 3.985,56 0.193,57 0.785,58 8.909,59 4.908,60 23.776,61 4.726,62 0.49,63 1.249,64 21.73,65 8.823,66 54.638,67 8.661,68 0.604,69 1.489,70 26.977,71 10.552,72 69.526,73 10.235,74 0.782,75 1.554,76 31.347,77 10.84,78 83.114,79 11.508,80 0.839,81 1.503,82 27.755,83 10.094,84 88.453,85 10.766,86 0.758,87 1.48,88 31.311,89 11.493,90 103.718,91 11.896,92 0.734,93 1.458,94 27.459,95 11.223,96 94.294,97 11.501,98 0.594,99 1.355,100 28.928,101 11.634,102 61.563,103 11.59,104 40,105 51,106 0.317,107 0.66,108 0.774,109 0.879,110 0.892,111 0.899,112 3.503,113 1.045,114 -3.99,115 -3.94,116 -3.74,119 41.2,120 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 5,169 4,171 5,172 13,176 9,179 1,181 5,183 5,186 2,187 12,190 2,191 1,192 6,194 3,197 2,198 9,203 4,205 9,209 10,212 3,214 3,217 10,221 7,224 1,226 6,227 12,230 1,231 6,236 6,238 9,241 1,242 5,246 1,247 3,249 9,252 1836,253 20.988,254 20.988,255 20.988,256 20.988,257 20.988,258 17.954,259 25.242,260 12.199,261 21.673,262 17.304,263 17.304,264 17.304,265 17.304,266 17.304,267 12.629,268 34.071,269 5.845,270 18.554,271 3.744,272 1.661,273 0.966,274 0.329,275 0.25,276 0.211,277 4.191,280 1,283 1,284 831,285 4.183,287 157.907,288 190.221,291 134.408,295 1.836,296 47.266,299 1,300 0.83,301 1,302 0.6,304 0.83,305 1,306 0.75,307 70.333,308 390,309 4.881,310 4.689,311 7.321,312 4.345,313 3.43,314 4.766,315 1.909,316 12.601,317 3.189,318 4.676,319 3.52,320 6.905,321 4.162,322 3.218,323 4.629,324 0.561,325 11.551,326 2.97,327 4.082,328 3.347,329 5.803,330 3.703,331 2.711,332 3.679,333 0.522,334 8.067,335 2.69,336 3.86,337 2.916,338 5.539,339 3.331,340 2.419,341 3.424,343 7.299,344 2.286,345 3.699,346 2.893,347 5.335,348 3.246,349 2.361,350 3.124,352 6.741,353 2.154,354 3.544,355 2.585,356 5.077,357 3.18,358 2.186,359 2.74,361 5.926,362 1.996,363 3.382,364 2.297,365 4.993,366 2.943,367 1.986,368 2.726,370 5.829,371 1.915,372 3.289,373 2.144,374 4.598,375 2.888,376 1.914,377 2.53,379 4.994,380 1.818,381 2.797,382 1.613,383 4.441,384 2.325,385 1.371,386 1.887,388 3.911,389 1.311,390 2.751,391 1.525,392 4.404,393 2.238,394 1.336,395 1.851,397 3.847,398 1.18,399 2.658,400 1.281,401 3.731,402 2.169,403 1.179,404 1.729,406 2.783,407 1.16,408 2.599,409 1.215,410 3.497,411 2.108,412 1.158,413 1.63,415 2.621,416 1.029,417 2.179,418 1.056,419 3.282,420 1.559,421 0.686,422 1.019,424 1.67,425 0.577,426 1.778,427 0.808,428 3.116,429 1.516,430 0.547,431 0.632,433 1.219,434 0.526,435 1.261,436 0.351,437 2.984,438 0.94,439 -0.026,440 -0.033,442 -0.075,443 -0.025,444 15.814,445 0.494,446 1.033,447 0.032,448 43.75,449 1.367,450 23.5,451 0.734,452 20.25,453 0.633,454 27.077,455 0.846,456 33.986,457 0.666,458 35.953,459 1.124,460 8.488,461 0.265,462 6.737,463 0.211,464 0.161,465 0.053,466 0.31,472 0.635,473 1.125,474 0.693,475 0.973,476 0.7,477 0.8,478 0.575,479 1.079,480 0.601,481 0.814,482 0.527,483 0.848,484 1.079,485 1.256,486 0.978,487 1.126,488 1.07,489 1.063,490 0.915,491 1.159,492 0.73,493 0.9,494 0.911,495 0.961,496 0.858,497 0.935,498 0.682,499 0.796,500 0.848,501 0.851,502 0.89,503 0.937,504 0.914,505 0.954,506 0.804,507 0.885,508 1.121,509 0.853,510 0.768,511 0.802,512 1.208,513 0.894,514 1.001,515 1.187,516 1.169,517 1.255,518 0.991,519 1.239,520 8.5,521 0.258,522 3.778,523 2.979,524 1.971,525 1.344,526 0.892,527 0.583,528 0.508,529 0.27,530 13505,531 48572,532 2.037,533 37.3,535 13,538 3,539 3,542 1.748,543 1.873,544 3.556,545 0.946,547 1,550 98.344,551 1.928,552 4.011,553 4.706,554 5.344,555 5.422,556 5.462,557 3.067,558 4.812,559 4.966,560 3.723,561 1846.55,562 8.712,563 26675.3,568 289.294,569 1.646,570 4.907,571 0.243,572 0.009,573 0.074,574 0.061,575 0.04,576 0.028,577 0.018,578 0.012,579 0.013,580 0.008,581 0.506,582 0.33,583 0.88,584 1.078,585 167.397,586 0.013,587 0.012,588 0.101,589 0.009,590 -0.143,591 0.058,592 0.194,593 0.017,594 0.206,595 0.124,596 0.187,597 0.034,598 -0.142,599 -0.21,600 -0.076,601 -0.159,602 -0.139,603 -0.142,604 0.044,605 -0.132,606 0.068,607 -0.026,608 0.014,609 -0.035,610 0.081,611 0.09,612 0.136,613 0.064,614 0.031,615 0.082,616 0.037,617 0.07,618 -0.022,619 0.029,620 0.127,621 0.087,622 -0.136,623 0.11,624 0.035,625 0.105,626 -0.14,627 0.065,628 -0.097,629 -0.208,630 -0.195,631 -0.214,632 -0.098,633 -0.249,634 4.842,635 5.784,636 0.625,637 32.938,638 1.025,639 1.116,640 2.762,641 7.63,642 0.727,643 3.584,644 3.951,645 4.19,646 4.489,647 4.691,648 4.812,649 4.949,650 5.1,651 5.231,652 5.298,653 7.103,654 0.693,655 491.03,656 3.584,657 5.153,658 6.004,659 6.907,660 7.783,661 8.691,662 9.58,663 10.493,664 11.389,665 12.305,666 7.8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,700 1,702 1,703 51,705 24,706 2,707 35,709 54,710 21,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 3,733 3,736 1,737 3,741 1,747 19,748 7,749 3,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 1,805 32,808 1,809 1,810 2,811 2,820 1,824 1,825 7.8,827 1,828 3,832 17.083,833 9.326,834 6.819,835 2.749,836 3.749,837 1.477,838 0.997,839 6.649,840 11.607,841 3.902,842 4.585,843 5.134,844 5.76,845 6.237,846 6.585,847 6.97,848 7.413,849 7.763,850 8.095,851 1,852 49,853 12.137,854 5.584,855 8.058,856 22.043,857 18.365,859 2.558,860 81.861,864 188.338,865 155.202,866 52.855,867 39.149,868 112.141,870 37.085,871 118.117,872 339.627,873 52.855,874 8.825,875 22.222,876 91.094,877 149.914,878 12.394,879 43.621,880 219.615,882 188.338,883 170.972,884 112.141,885 76.234,887 188.338,888 112.141,891 34.497,892 103.407,893 38.875,894 70.426,895 188.338,896 164.997,897 194.351,899 5.807,900 188.338,901 55.283,902 95.888,903 34.416,904 167.953,905 188.338,906 164.997,907 194.351,909 0.593,910 0.329,911 0.177,912 0.1,913 25,914 12,915 0.13,916 7,917 1,918 1.1,919 4.197,920 297.709,921 0.1,922 20,923 158,924 1,927 1,928 22.892,929 9.294,930 5.217,931 0.868,932 163.22,933 15.427,934 4.435,937 0.929,938 2.161,939 1.617,940 77.099,941 547.685,942 48.5,945 -3.926,946 36.749,950 -0.118,952 52.262,953 56.936,954 0.34,955 0.707,956 0.83,957 0.942,958 0.956,959 0.963,960 5.155,961 1.914,962 6.038,963 5.829,964 4.635,965 5.273,966 2.096,967 6.903,968 4.512,969 6.42,970 1.371,971 7.636,972 4.994,973 4.443,974 5.394,975 1.593,976 8.08,977 4.229,978 7.781,979 1.336,980 9.344,981 3.911,982 6.319,983 7.633,984 2.929,985 11.145,986 6.076,987 9.183,988 1.179,989 11.12,990 3.847,991 6.919,992 8.567,993 3.032,994 13.172,995 6.571,996 10.62,997 1.158,998 12.944,999 2.783,1000 8.339,1001 10.347,1002 4.047,1003 15.839,1004 7.956,1005 12.083,1006 0.686,1007 14.803,1008 2.621,1009 9.286,1010 11.634,1011 4.414,1012 18.18,1013 8.8,1014 13.567,1015 0.547,1016 16.687,1017 1.67,1018 10.552,1019 13.258,1020 5.259,1021 20.735,1022 10.017,1023 3.43,1024 -0.026,1025 18.592,1026 1.219,1027 11.65,1028 14.696,1029 5.757,1030 23.186,1031 11.019,1032 3.218,1033 12.601,1034 20.513,1035 -0.075,1036 12.869,1037 16.265,1038 6.511,1039 25.709,1040 12.176,1041 2.711,1042 11.551,1043 22.445,1044 4.766,1045 14.031,1046 17.767,1047 7.078,1048 28.199,1049 13.25,1050 2.419,1051 8.067,1052 24.388,1053 4.629,1054 15.239,1055 19.32,1056 7.782,1057 30.715,1058 14.388,1059 2.361,1060 7.299,1061 26.337,1062 3.679,1063 16.43,1064 20.848,1065 8.386,1066 33.22,1067 15.495,1068 2.186,1069 6.741,1070 28.293,1071 3.424,1072 17.637,1073 22.397,1074 9.064,1075 35.735,1076 16.629,1077 1.986,1078 5.926,1079 30.253,1080 3.124,1081 18.841,1082 23.937,1083 9.687,1084 38.247,1085 17.752,1086 13087,1087 25106,1088 22.77,1089 37.085,1090 53.554,1091 54.697,1092 54.623,1093 53.11,1094 52.998,1095 72.734,1096 5.984,1097 158.118,1098 49.601,1099 5.73,1100 6.689,1101 6.877,1102 5.517,1103 5.43,1104 7.766,1105 3.31,1106 20.167,1107 5.189,1108 18.563,1109 1.53,1110 1.563,1111 1.561,1112 1.517,1113 1.514,1114 2.078,1115 0.171,1116 4.518,1117 1.417,1118 4.167,1119 4.191,1120 4.793,1121 4.131,1122 7.717,1123 4.062,1124 3.999,1125 3.969,1126 4.168,1127 3.984,1128 7.43,1129 3.927,1130 3.914,1131 3.938,1132 4.076,1133 3.856,1134 6.999,1135 3.85,1136 3.593,1137 3.645,1138 3.851,1139 3.528,1140 6.47,1141 3.422,1142 3.558,1143 3.547,1144 3.499,1145 3.361,1146 4.974,1147 3.383,1148 3.395,1149 3.441,1150 3.329,1151 3.21,1152 4.884,1153 3.219,1154 3.147,1155 3.217,1156 3.168,1157 3.006,1158 4.71,1159 2.995,1160 3.046,1161 3.091,1162 3.025,1163 2.9,1164 4.326,1165 2.891,1166 0.139,1167 0.134,1168 0.209,1169 0.124,1170 0.098,1171 4.881,1172 0.136,1173 4.689,1174 0.055,1175 7.321,1176 0.36,1177 4.345,1178 0.091,1179 3.43,1180 4.766,1181 1.909,1182 12.601,1183 3.189,1184 1.965,1185 1.941,1186 2.068,1187 2.066,1188 1.244,1189 2.067,1190 1.903,1191 1.888,1192 1.985,1193 1.988,1194 1.136,1195 1.997,1196 1.73,1197 1.778,1198 1.747,1199 1.847,1200 0.945,1201 1.885,1202 1.518,1203 1.461,1204 1.617,1205 1.765,1206 0.848,1207 1.763,1208 1.42,1209 1.405,1210 1.577,1211 1.621,1212 0.702,1213 1.61,1214 1.367,1215 1.318,1216 1.434,1217 1.476,1218 0.606,1219 1.514,1220 1.156,1221 1.109,1222 1.336,1223 1.364,1224 0.546,1225 1.396,1226 1.089,1227 1.027,1228 1.101,1229 1.226,1230 0.368,1231 1.258,1232 4.263,1233 5.617,1234 3.045,1235 7.143,1236 5.416,1237 8.753,1238 7.535,1239 10.413,1241 1.457,1242 5.88,1246 10.422,1247 0.735,1248 5.224,1257 35.361,1258 98.344,1259 204.584,1260 240.009,1261 272.539,1262 276.539,1263 278.539,1264 78.176,1265 7.858,1266 113.32,1267 149.94,1268 22,1269 12.82,1270 4.644,1271 3.858,1272 51.7,1273 134,1274 152,1275 0.187,1276 227.119,1277 383.81,1278 545.93,1279 28156,1280 2,1281 22.88,1282 0.715,1283 0.602,1284 23.984,1285 19.26,1286 15.225,1287 0.435,1288 0.348,1289 9.617,1290 13.347,1291 9.151,1292 7.566,1293 16.743,1294 12.194,1295 14.819,1296 0.291,1297 0.21,1298 17.393,1299 10.696,1300 11.372,1301 0.175,1302 0.119,1303 13.762,1304 7.728,1305 9.693,1306 0.11,1307 0.065,1308 11.892,1309 5.752,1310 7.684,1311 0.071,1312 0.039,1313 10.097,1314 4.195,1315 0.292,1316 110.793,1317 0.21,1318 29.751,1319 0.519,1320 172,1321 569.236,1322 278.713,1323 621.17,1324 824.04,1325 570,1326 202,1327 536.232,1328 296.989,1329 603.486,1330 881.41,1331 564,1332 7.9}
{0 CHEMBL2324200,1 1.678,2 7.679,3 6.269,4 39.298,5 137.946,6 21.629,7 0.581,8 3.778,9 3.814,10 4.288,11 3.709,12 5.032,13 3.566,14 4.245,15 4.284,16 4.874,17 4.197,18 5.55,19 4.013,20 4.539,21 4.605,22 5.241,23 4.45,24 5.818,25 4.218,26 4.654,27 4.729,28 6.084,29 4.667,30 5.942,31 4.328,32 4.646,33 4.722,34 5.444,35 4.632,36 5.894,37 4.337,38 4.657,39 4.733,40 5.591,41 4.693,42 6.034,43 4.339,44 4.561,45 4.68,46 6.46,47 4.746,48 5.906,49 4.169,50 4.181,51 4.317,52 4.604,53 3.795,54 5.762,55 3.416,56 0.102,57 0.308,58 56.679,59 0.753,60 16.097,61 2.054,62 0.193,63 0.5,64 103.754,65 0.476,66 20.941,67 3.638,68 0.209,69 0.815,70 206.83,71 9.262,72 30.762,73 7.547,74 0.347,75 1.005,76 351.742,77 20.111,78 45.001,79 9.326,80 0.287,81 0.966,82 271.399,83 13.138,84 41.089,85 9.351,86 0.401,87 0.995,88 300.05,89 12.422,90 47.274,91 9.841,92 0.298,93 1.083,94 576.216,95 31.847,96 44.109,97 13.332,98 0.422,99 0.808,100 243.302,101 19.075,102 72.399,103 9.509,104 50,105 48,106 0.296,107 0.578,108 0.712,109 0.832,110 0.851,111 0.851,112 3.377,113 1.187,114 -6.41,115 -6.24,116 -5.79,119 52.6,129 1,138 8,139 4,140 6,151 1,163 8,165 1,166 5,171 2,172 19,176 6,181 4,183 13,187 10,192 4,194 22,198 5,205 26,209 4,212 2,214 4,217 14,221 2,226 6,227 16,234 2,236 8,238 2,247 4,252 1252,253 18.264,254 18.264,255 18.264,256 18.264,257 18.264,258 15.772,259 18.105,260 10.199,261 19.144,262 15.213,263 15.213,264 15.213,265 15.213,266 15.213,267 11.522,268 20.81,269 4.741,270 17.02,271 3.57,272 1.967,273 1.211,274 0.526,275 0.421,276 0.421,277 4.061,284 458,285 2.915,287 53.761,288 239.326,291 103.4,295 1.01,296 33.647,299 0.5,300 0.67,301 0.67,302 0.2,304 0.67,305 1,306 0.53,307 57.6,308 215,309 4.978,310 4.398,311 8.331,312 4.773,313 3.812,314 4.47,315 2.327,316 16.751,317 3.653,318 4.329,319 3.544,320 6.526,321 3.848,322 2.946,323 4.018,324 1.423,325 9.899,326 2.746,327 4.279,328 3.3,329 6.344,330 3.814,331 2.895,332 3.924,334 9.354,335 2.484,336 3.851,337 3.077,338 6.095,339 3.471,340 2.525,341 3.223,343 8.333,344 2.267,345 3.368,346 2.461,347 5.299,348 2.938,349 2.006,350 2.668,352 5.908,353 1.867,354 3.341,355 2.461,356 5.105,357 2.893,358 1.901,359 2.591,361 5.6,362 1.816,363 3.232,364 2.433,365 4.879,366 2.639,367 1.879,368 2.481,370 5.225,371 1.471,372 3.232,373 2.342,374 4.879,375 2.639,376 1.879,377 2.481,379 5.225,380 1.135,381 2.964,382 1.841,383 4.802,384 2.536,385 1.58,386 2.136,388 4.707,389 1.135,390 2.631,391 1.35,392 3.882,393 2.172,394 1.209,395 1.653,397 2.833,398 1.135,399 2.427,400 1.29,401 3.626,402 1.944,403 0.96,404 1.367,406 2.409,407 0.903,408 1.551,409 1.25,410 3.467,411 1.099,412 0.394,413 0.433,415 0.907,416 0.125,417 1.305,418 0.94,419 3.233,420 0.895,421 0.063,422 0.073,424 0.179,425 0.024,426 1,427 0.395,428 2.861,429 0.469,430 -0.347,431 -0.445,433 -0.898,434 -0.084,435 1,436 0.093,437 2.653,438 0.403,439 -0.347,440 -0.445,442 -0.898,443 -0.084,444 17.905,445 0.639,446 1.006,447 0.036,448 37.25,449 1.33,450 20.5,451 0.732,452 16.75,453 0.598,454 36.933,455 1.319,456 24.695,457 0.65,458 20.561,459 0.734,460 6.174,461 0.22,462 7.078,463 0.253,464 0.423,465 0.028,466 0.307,472 0.868,473 0.592,474 0.485,475 0.442,476 0.856,477 0.482,478 0.643,479 0.762,480 0.598,481 0.555,482 0.549,483 0.607,484 0.926,485 0.992,486 0.919,487 0.924,488 0.817,489 0.897,490 1.178,491 0.874,492 0.804,493 0.822,494 0.853,495 0.775,496 0.899,497 0.919,498 1.131,499 1.082,500 0.803,501 0.993,502 0.675,503 1.043,504 1.312,505 1.235,506 0.998,507 1.133,508 0.995,509 1.132,510 1.125,511 1.121,512 1.116,513 1.123,514 1.203,515 1.538,516 1.437,517 1.561,518 1.25,519 1.672,520 7.5,522 4.889,523 4.236,524 2.709,525 1.765,526 1.42,527 0.846,528 0.254,529 0.082,530 7344,531 32812,532 2.022,533 26.3,535 8,538 2,542 1.725,543 1.816,544 2.866,545 0.282,549 4,550 63.763,551 1.678,552 3.281,553 4.037,554 4.722,555 4.827,556 4.827,557 2.315,558 4.164,559 4.78,560 3.017,561 1140.26,562 8.395,563 14069.8,568 199.421,569 1.728,570 4.691,571 0.242,573 0.102,574 0.076,575 0.045,576 0.03,577 0.025,578 0.02,579 0.013,580 0.014,581 0.567,582 0.33,583 0.75,584 0.672,585 133.432,586 -0.118,587 0.12,588 0.001,589 0.029,590 -0.166,591 0.055,592 0.104,593 -0.024,594 -0.014,595 0.008,596 0.059,597 -0.008,598 -0.058,599 -0.126,600 -0.086,601 -0.107,602 -0.039,603 -0.086,604 -0.14,605 0.066,606 0.13,607 0.107,608 -0.051,609 0.122,610 -0.107,611 -0.017,612 -0.132,613 -0.115,614 -0.079,615 -0.084,616 0.123,617 -0.105,618 -0.161,619 -0.128,620 -0.019,621 -0.143,622 -0.051,623 -0.034,624 0.248,625 0.23,626 -0.045,627 0.12,628 0.164,629 -0.332,630 -0.232,631 -0.306,632 0.276,633 -0.39,634 2.415,635 5.824,636 0.75,637 19.429,638 1.02,639 1.069,640 5.18,641 26.837,642 0.994,643 3.466,644 3.892,645 4.263,646 4.644,647 4.927,648 5.112,649 5.247,650 5.323,651 5.318,652 5.153,653 4.89,654 0.837,655 821.9,656 3.466,657 5.069,658 5.979,659 6.93,660 7.869,661 8.832,662 9.783,663 10.751,664 11.708,665 12.678,681 8,686 10,688 18,695 1,700 2,702 4,703 38,705 19,706 3,707 31,709 41,710 20,711 18,712 10,713 8,714 1,717 4,718 5,725 1,729 19,730 1,731 1,733 1,737 1,741 1,747 10,748 4,749 2,750 8,751 4,752 4,760 0.75,761 4,775 1,776 3,779 1,796 3,804 4,805 28,809 2,812 1,816 1,824 4,825 10.5,827 2,828 1,830 1,832 15.417,833 6.971,834 5.958,835 2.097,836 2.512,837 1.338,838 1.015,839 6.102,840 9.946,841 3.738,842 4.425,843 5.051,844 5.681,845 6.256,846 6.602,847 6.988,848 7.389,849 7.727,850 7.915,851 1,852 56,853 10.416,854 4.654,855 7.877,856 19.548,857 16.601,859 2.377,860 66.563,864 94.169,865 329.51,868 121.512,870 227.128,871 102.382,872 215.68,876 75.81,877 117.703,878 30.381,880 321.297,882 94.169,883 102.382,884 121.512,886 227.128,887 94.169,888 121.512,892 102.382,894 227.128,895 94.169,896 121.512,897 102.382,898 227.128,900 94.169,901 26.572,902 302.938,904 121.512,905 94.169,906 121.512,907 102.382,908 227.128,909 0.606,910 0.377,911 0.22,912 0.124,913 26,914 13,915 0.049,916 2,917 1,918 1.095,919 3.524,920 278.067,921 0.095,922 21,923 120.606,928 21.365,929 7.996,930 3.489,932 121.512,933 14.343,938 6.063,940 85.367,941 545.191,942 41,946 12.824,950 -0.395,952 38.771,953 40.626,954 0.32,955 0.625,956 0.769,957 0.9,958 0.92,959 0.92,960 5.034,961 1.879,962 6.047,963 5.225,964 4.575,965 5.112,966 2.556,967 7.036,968 4.369,969 6.309,970 1.58,971 7.727,972 5.225,973 4.511,974 5.147,975 2.307,976 8.511,977 4.146,978 7.681,979 1.209,980 9.526,981 4.707,982 6.365,983 7.388,984 3.804,985 11.741,986 6.071,987 9.09,988 0.96,989 11.402,990 2.833,991 7.116,992 8.171,993 4.046,994 14.149,995 6.726,996 10.534,997 0.394,998 13.333,999 2.409,1000 8.557,1001 9.959,1002 5.296,1003 17.047,1004 8.195,1005 12.004,1006 0.063,1007 15.308,1008 0.907,1009 9.656,1010 11.09,1011 5.791,1012 19.756,1013 9.236,1014 13.496,1015 -0.347,1016 17.317,1017 0.179,1018 10.987,1019 12.696,1020 6.884,1021 22.587,1022 10.563,1023 3.812,1024 -0.347,1025 19.351,1026 -0.898,1027 12.224,1028 13.995,1029 7.525,1030 25.377,1031 11.76,1032 2.946,1033 16.751,1034 21.406,1035 -0.898,1036 13.538,1037 15.523,1038 8.518,1039 28.196,1040 13.052,1041 2.895,1042 9.899,1043 23.477,1044 4.47,1045 14.829,1046 16.906,1047 9.245,1048 31.007,1049 14.308,1050 2.525,1051 9.354,1052 25.559,1053 4.018,1054 16.146,1055 18.4,1056 10.177,1057 33.825,1058 15.595,1059 2.006,1060 8.333,1061 27.651,1062 3.924,1063 17.461,1064 19.827,1065 10.953,1066 36.641,1067 16.874,1068 1.901,1069 5.908,1070 29.749,1071 3.223,1072 18.785,1073 21.307,1074 11.849,1075 39.46,1076 18.163,1077 1.879,1078 5.6,1079 31.853,1080 2.668,1081 20.11,1082 22.757,1083 12.654,1084 42.277,1085 19.451,1086 7234,1087 15381,1088 19.709,1089 37.784,1090 48.624,1091 50.437,1092 52.421,1093 48.845,1094 48.097,1095 63.036,1096 7.5,1097 154.662,1098 41.523,1099 5.87,1100 6.398,1101 8.008,1102 5.845,1103 5.812,1104 7.47,1105 4.101,1106 25.435,1107 5.653,1108 17.234,1109 1.569,1110 1.627,1111 1.691,1112 1.576,1113 1.552,1114 2.033,1115 0.242,1116 4.989,1117 1.339,1118 4.091,1119 4.094,1120 10.701,1121 4.194,1122 7.433,1123 4.056,1124 3.834,1125 3.848,1126 10.696,1127 4.073,1128 6.472,1129 3.813,1130 3.822,1131 3.828,1132 10.692,1133 3.867,1134 6.466,1135 3.795,1136 3.327,1137 3.325,1138 10.692,1139 3.646,1140 4.826,1141 3.187,1142 3.078,1143 3.078,1144 4.018,1145 3.646,1146 4.567,1147 2.954,1148 2.863,1149 2.89,1150 3.695,1151 3.272,1152 4.473,1153 2.92,1154 2.863,1155 2.89,1156 3.623,1157 3.121,1158 4.192,1159 2.92,1160 2.829,1161 2.837,1162 3.254,1163 2.996,1164 3.671,1165 2.72,1166 0.161,1167 0.142,1168 0.269,1169 0.154,1170 0.123,1171 4.978,1172 0.144,1173 4.398,1174 0.075,1175 8.331,1176 0.54,1177 4.773,1178 0.118,1179 3.812,1180 4.47,1181 2.327,1182 16.751,1183 3.653,1184 1.995,1185 1.988,1186 2.026,1187 2.021,1188 1.289,1189 2.037,1190 1.833,1191 1.816,1192 1.885,1193 1.898,1194 1.035,1195 1.911,1196 1.809,1197 1.803,1198 1.794,1199 1.832,1200 1.029,1201 1.856,1202 1.21,1203 1.221,1204 1.266,1205 1.449,1206 0.456,1207 1.38,1208 1.046,1209 1.036,1210 1.155,1211 1.216,1212 0.232,1213 1.196,1214 0.877,1215 0.857,1216 1,1217 0.999,1218 0.173,1219 0.999,1220 0.877,1221 0.857,1222 0.963,1223 0.96,1224 0.173,1225 0.975,1226 0.771,1227 0.723,1228 0.963,1229 0.894,1230 0.056,1231 0.975,1232 4.143,1233 5.541,1234 2.398,1235 7.151,1236 4.949,1237 8.866,1238 7.248,1239 10.64,1244 8.471,1246 20.297,1249 6.124,1253 -1.165,1257 31.814,1258 63.763,1259 124.666,1260 153.421,1261 179.421,1262 183.421,1263 183.421,1264 61.444,1265 7.434,1266 66.76,1267 66.76,1268 23,1269 13.157,1270 4.322,1271 3.459,1272 41.689,1273 75,1274 92,1275 0.262,1276 230.094,1277 382.3,1278 553.189,1279 13038,1280 10.5,1281 20.215,1282 0.722,1283 0.803,1284 26.215,1285 22.472,1286 13.252,1287 0.427,1288 0.396,1289 8.146,1290 10.263,1291 7.725,1292 6.267,1293 16.716,1294 12.267,1295 12.888,1296 0.268,1297 0.226,1298 17.337,1299 10.838,1300 11.179,1301 0.16,1302 0.113,1303 15.248,1304 7.921,1305 10.195,1306 0.099,1307 0.075,1308 16.024,1309 7.689,1310 8.051,1311 0.059,1312 0.031,1313 10.742,1314 4.212,1315 0.381,1316 136.275,1317 0.225,1318 25.242,1319 0.838,1320 158,1321 484.365,1322 765.041,1323 633.557,1324 815.42,1325 582,1326 197,1327 481.207,1328 444.573,1329 547.209,1330 822.25,1331 515,1332 5.4}
{0 CHEMBL232639,1 1.564,2 12.9,3 5.072,4 25.727,5 127.897,6 7.635,7 0.5,8 4.154,9 4.301,10 3.735,11 3.65,12 5.167,13 3.611,14 4.711,15 4.929,16 4.102,17 4.033,18 5.682,19 3.959,20 4.95,21 5.202,22 4.159,23 4.167,24 5.847,25 4.055,26 5.005,27 5.262,28 4.183,29 4.182,30 5.909,31 4.039,32 5.047,33 5.343,34 3.918,35 4.126,36 5.825,37 3.975,38 4.993,39 5.279,40 4.022,41 4.094,42 5.849,43 3.973,44 4.926,45 5.19,46 3.947,47 4.088,48 5.796,49 3.962,50 4.932,51 5.215,52 4.026,53 4.052,54 5.803,55 3.917,56 0.031,57 0.893,58 12.681,59 4.808,60 8.977,61 7.142,62 0.31,63 1.351,64 25.794,65 8.346,66 27.893,67 12.364,68 0.393,69 1.522,70 37.952,71 10.637,72 37.423,73 15.906,74 0.525,75 1.56,76 45.077,77 11.914,78 49.391,79 17.49,80 0.439,81 1.578,82 40.832,83 11.517,84 42.82,85 17.809,86 0.508,87 1.522,88 39.944,89 10.097,90 48.69,91 16.149,92 0.392,93 1.492,94 34.291,95 9.491,96 39.121,97 14.844,98 0.484,99 1.4,100 37.284,101 10.081,102 45.186,103 15.787,104 36,105 43,106 0.256,107 0.58,108 0.778,109 0.851,110 0.851,111 0.851,112 3.44,113 1.044,114 -6.14,115 -5.98,116 -5.56,119 35.6,120 3,121 2,125 4,127 1,138 3,139 1,140 2,142 1,143 1,146 1,153 1,154 1,163 3,165 1,166 3,169 5,171 3,172 8,175 2,176 1,179 1,181 2,183 4,187 4,190 2,191 3,192 3,194 6,198 6,201 2,205 2,209 9,214 7,220 1,221 2,226 6,227 2,230 1,231 3,236 6,238 2,241 1,242 5,245 2,249 3,252 1722,253 20.256,254 20.256,255 20.256,256 20.256,257 20.256,258 18.298,259 29.154,260 12.002,261 21.058,262 15.664,263 15.664,264 15.664,265 15.664,266 15.664,267 12.704,268 45.197,269 5.553,270 16.995,271 4.318,272 2.337,273 1.132,274 0.682,275 0.682,276 0.682,277 4.121,279 2,282 1,283 1,284 804,285 4.183,287 75.53,288 189.928,291 136.711,295 2.233,296 23.793,299 0.75,300 0.5,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.77,307 64.167,308 387,309 4.551,310 3.271,311 6.55,312 4.042,313 3.103,314 4.498,315 0.8,316 10.395,317 2.912,318 4.23,319 3.159,320 6.06,321 3.787,322 2.854,323 3.879,324 0.657,325 8.71,326 2.634,327 3.657,328 2.785,329 5.352,330 3.411,331 2.475,332 3.074,333 0.4,334 6.839,335 2.327,336 3.573,337 2.759,338 5.296,339 3.296,340 2.364,341 2.869,343 6.776,344 2.193,345 3.45,346 2.549,347 5.269,348 3.208,349 2.303,350 2.763,352 6.63,353 2.075,354 3.439,355 2.442,356 4.955,357 2.972,358 2.093,359 2.455,361 5.798,362 1.789,363 3.149,364 2.006,365 4.856,366 2.844,367 1.906,368 2.208,370 5.424,371 1.757,372 2.851,373 1.957,374 4.177,375 2.375,376 1.478,377 1.982,379 3.78,380 1.247,381 2.616,382 1.245,383 3.802,384 2.129,385 1.174,386 1.67,388 2.801,389 1.122,390 2.264,391 1.189,392 3.437,393 2.053,394 1.123,395 1.215,397 2.39,398 1.039,399 2.106,400 0.996,401 3.353,402 1.757,403 0.836,404 1.056,406 2.046,407 0.761,408 1.913,409 0.791,410 3.201,411 1.591,412 0.648,413 0.799,415 1.581,416 0.6,417 1.618,418 0.744,419 2.822,420 1.56,421 0.618,422 0.618,424 0.791,425 0.578,426 1.249,427 0.423,428 2.618,429 1.103,430 0.14,431 0.145,433 0.248,434 0.134,435 1.217,436 0.256,437 2.602,438 0.837,439 -0.022,440 -0.026,442 -0.051,443 -0.017,444 14.729,445 0.491,446 0.677,447 0.023,448 35.25,449 1.175,450 15,451 0.5,452 20.25,453 0.675,454 30.644,455 1.021,456 33.871,457 0.574,458 24.274,459 0.809,460 6.521,461 0.217,462 7.974,463 0.266,464 0.199,466 0.299,472 0.859,473 1.66,474 0.652,475 1.096,476 0.75,477 1.026,478 0.799,479 1.093,480 0.676,481 0.877,482 0.561,483 0.905,484 1.04,485 1.05,486 0.884,487 0.897,488 0.866,489 0.911,490 0.788,491 1.083,492 0.881,493 1.072,494 0.817,495 1.066,496 0.842,497 0.962,498 0.698,499 0.843,500 0.808,501 0.888,502 0.893,503 0.995,504 0.71,505 0.829,506 0.773,507 0.837,508 1.129,509 1.056,510 0.82,511 0.899,512 1.047,513 0.998,514 0.683,515 0.989,516 0.644,517 0.87,518 0.651,519 0.876,520 6.5,521 0.21,522 3.111,523 1.813,524 1.378,525 0.854,526 0.551,527 0.451,528 0.314,529 0.325,530 12053,531 32012,532 2.012,533 49.2,535 12,537 1,538 3,540 13,542 1.728,543 1.875,544 3.616,545 0.933,550 92.304,551 1.564,552 3.546,553 4.751,554 5.2,555 5.2,556 5.2,557 3.089,558 4.707,559 4.873,560 3.832,561 1666.89,562 8.504,563 24287.1,565 1,568 347.076,569 1.436,570 4.831,571 0.203,572 0.007,573 0.072,574 0.042,575 0.035,576 0.024,577 0.015,578 0.013,579 0.009,580 0.01,581 0.43,582 0.17,583 0.75,584 1.836,585 156.774,586 -0.062,587 -0.319,588 0.019,589 -0.086,590 -0.046,591 -0.026,592 0.135,593 0.081,594 0.083,595 0.067,596 0.23,597 0.052,598 -0.035,599 -0.005,600 0.029,601 0.06,602 0.061,603 0.052,604 0.168,605 -0.076,606 0.054,607 -0.096,608 0.134,609 -0.086,610 -0.013,611 -0.007,612 0.045,613 0.059,614 -0.018,615 0.062,616 0.035,617 -0.013,618 0.084,619 0.07,620 0.111,621 0.104,622 -0.185,623 0.009,624 -0.074,625 -0.006,626 -0.163,627 -0.069,628 0.187,629 -0.018,630 0.158,631 0.055,632 0.171,633 0.084,634 1.157,635 2.157,636 0.5,637 35.253,638 0.999,639 1.142,640 4.908,641 24.09,642 0.659,643 3.497,644 3.784,645 4.007,646 4.22,647 4.369,648 4.466,649 4.511,650 4.654,651 4.7,652 4.82,653 7.622,654 0.612,655 450.47,656 3.497,657 5.017,658 5.844,659 6.701,660 7.545,661 8.409,662 9.263,663 10.132,664 10.992,665 11.866,666 11.9,669 1,671 2,674 1,676 3,680 2,681 4,682 3,683 1,686 5,688 16,697 2,702 2,703 59,705 16,706 1,707 32,709 61,710 21,711 11,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 11,730 10,747 29,748 6,749 3,750 9,751 2,753 1,755 7,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 3,802 2,805 30,810 6,811 2,814 1,815 1,824 2,832 16,833 11.252,834 6.833,835 3.924,836 3.025,837 1.409,838 0.959,839 8.571,840 10.425,841 3.714,842 4.287,843 4.843,844 5.413,845 5.883,846 6.163,847 6.437,848 6.83,849 6.932,850 7.282,851 0.889,852 43,853 11.055,854 4.492,855 7.591,856 21.46,857 17.052,859 2.091,860 62.722,863 1,864 306.049,865 95.288,866 106.288,867 78.297,871 95.288,872 384.346,873 106.288,874 26.476,875 13.492,876 28.429,877 108.483,878 32.241,879 4.227,880 294.278,881 78.297,882 306.049,883 201.576,885 78.297,887 153.024,888 153.024,891 74.254,892 40.943,893 164.675,895 306.049,896 106.288,897 173.585,900 306.049,901 31.765,902 66.647,903 52.807,904 128.654,905 306.049,906 106.288,907 173.585,909 0.57,910 0.331,911 0.169,912 0.083,913 18,914 9,915 0.18,916 11,917 1,918 1.133,919 4.181,920 249.315,921 0.133,922 15,923 143.207,928 23.074,929 11.144,930 6.449,931 1.424,932 89.502,933 7.071,934 13.548,935 3.072,938 3.378,940 52.807,941 585.922,942 40,952 58.963,953 67.359,954 0.266,955 0.603,956 0.808,957 0.884,958 0.884,959 0.884,960 4.934,961 1.478,962 5.814,963 5.424,964 4.466,965 4.973,966 1.145,967 6.578,968 4.305,969 6.12,970 1.174,971 7.347,972 3.78,973 4.007,974 4.796,975 0.325,976 7.391,977 3.715,978 7.414,979 1.123,980 8.974,981 2.801,982 6.019,983 7.173,984 0.634,985 10.447,986 5.72,987 8.745,988 0.836,989 10.658,990 2.39,991 6.365,992 7.857,993 0.268,994 12.085,995 5.949,996 10.109,997 0.648,998 12.378,999 2.046,1000 7.831,1001 9.714,1002 0.364,1003 14.665,1004 7.4,1005 11.497,1006 0.618,1007 14.124,1008 1.581,1009 8.558,1010 10.812,1011 0.188,1012 16.674,1013 8.027,1014 12.905,1015 0.14,1016 15.89,1017 0.791,1018 9.804,1019 12.458,1020 0.215,1021 19.091,1022 9.243,1023 3.103,1024 -0.022,1025 17.671,1026 0.248,1027 10.723,1028 13.76,1029 0.125,1030 21.274,1031 10.074,1032 2.854,1033 10.395,1034 19.465,1035 -0.051,1036 11.879,1037 15.315,1038 0.129,1039 23.633,1040 11.189,1041 2.475,1042 8.71,1043 21.271,1044 4.498,1045 12.894,1046 16.716,1047 0.082,1048 25.896,1049 12.127,1050 2.364,1051 6.839,1052 23.085,1053 3.879,1054 14.016,1055 18.232,1056 0.079,1057 28.236,1058 13.199,1059 2.303,1060 6.776,1061 24.908,1062 3.074,1063 15.08,1064 19.681,1065 0.054,1066 30.537,1067 14.192,1068 2.093,1069 6.63,1070 26.738,1071 2.869,1072 16.192,1073 21.183,1074 0.048,1075 32.871,1076 15.248,1077 1.906,1078 5.798,1079 28.575,1080 2.763,1081 17.281,1082 22.656,1083 0.035,1084 35.19,1085 16.271,1086 11933,1087 19880,1088 20.978,1089 38.892,1090 46.333,1091 47.047,1092 48.381,1093 46.62,1094 46.233,1095 58.463,1096 3.715,1097 128.417,1098 42.334,1099 5.489,1100 5.271,1101 6.168,1102 5.123,1103 5.103,1104 7.498,1105 1.457,1106 17.372,1107 4.912,1108 16.762,1109 1.448,1110 1.47,1111 1.512,1112 1.457,1113 1.445,1114 1.827,1115 0.116,1116 4.013,1117 1.323,1118 4.081,1119 4.141,1120 4.105,1121 3.909,1122 5.185,1123 3.93,1124 3.915,1125 3.936,1126 4.038,1127 3.845,1128 5.012,1129 3.852,1130 3.798,1131 3.873,1132 3.657,1133 3.628,1134 4.635,1135 3.625,1136 3.621,1137 3.703,1138 3.601,1139 3.434,1140 4.587,1141 3.429,1142 3.429,1143 3.511,1144 3.471,1145 3.197,1146 4.361,1147 3.218,1148 3.306,1149 3.407,1150 3.365,1151 3.123,1152 4.273,1153 3.089,1154 3.276,1155 3.37,1156 3.14,1157 3.087,1158 4.124,1159 3.07,1160 3.115,1161 3.193,1162 3.04,1163 2.93,1164 3.96,1165 2.937,1166 0.142,1167 0.102,1168 0.205,1169 0.126,1170 0.097,1171 4.551,1172 0.141,1173 3.271,1174 0.025,1175 6.55,1176 0.325,1177 4.042,1178 0.091,1179 3.103,1180 4.498,1181 0.8,1182 10.395,1183 2.912,1184 1.905,1185 1.884,1186 2.02,1187 2.047,1188 1.34,1189 2.029,1190 1.824,1191 1.772,1192 1.972,1193 1.971,1194 1.153,1195 1.986,1196 1.737,1197 1.673,1198 1.903,1199 1.93,1200 1.125,1201 1.928,1202 1.596,1203 1.52,1204 1.78,1205 1.811,1206 0.893,1207 1.824,1208 1.352,1209 1.266,1210 1.725,1211 1.652,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.636,1217 1.584,1218 0.801,1219 1.625,1220 1.283,1221 1.203,1222 1.506,1223 1.524,1224 0.649,1225 1.558,1226 1.25,1227 1.172,1228 1.466,1229 1.472,1230 0.437,1231 1.485,1232 4.174,1233 5.468,1234 2.398,1235 6.944,1236 4.595,1237 8.51,1238 6.605,1239 10.128,1241 6.571,1242 12.242,1247 5.958,1248 6.748,1251 0.272,1252 2.438,1257 36.126,1258 92.304,1259 209.194,1260 280.282,1261 306.811,1262 306.811,1263 306.811,1264 52.604,1265 7.4,1266 81.76,1267 81.76,1268 17,1269 12.41,1270 4.087,1271 3.17,1272 55.341,1273 133,1274 140,1275 0.196,1276 233.763,1277 391.02,1278 562.143,1279 16985,1280 3.4,1281 21.51,1282 0.717,1283 0.64,1284 22.51,1285 19.186,1286 14.495,1287 0.453,1288 0.348,1289 10.301,1290 13.387,1291 9.933,1292 8.299,1293 15.072,1294 11.131,1295 12.64,1296 0.294,1297 0.189,1298 13.419,1299 8.143,1300 10.32,1301 0.191,1302 0.106,1303 10.935,1304 5.707,1305 8.306,1306 0.124,1307 0.057,1308 9.002,1309 3.797,1310 5.945,1311 0.076,1312 0.028,1313 6.304,1314 2.16,1315 0.313,1316 96.519,1317 0.218,1318 28.793,1319 0.522,1320 150,1321 407.986,1322 194.777,1323 459.988,1324 616.63,1325 430,1326 172,1327 416.571,1328 207.735,1329 440.408,1330 644.47,1331 415,1332 5.678}
{0 CHEMBL232640,1 1.564,2 12.967,3 5.208,4 27.127,5 126.455,6 7.635,7 0.5,8 4.154,9 4.301,10 3.735,11 3.65,12 5.167,13 3.611,14 4.711,15 4.929,16 4.102,17 4.033,18 5.684,19 3.959,20 4.949,21 5.201,22 4.159,23 4.17,24 5.835,25 4.056,26 5.014,27 5.273,28 4.187,29 4.177,30 5.933,31 4.037,32 5.047,33 5.347,34 3.892,35 4.118,36 5.817,37 3.963,38 4.963,39 5.247,40 4.004,41 4.087,42 5.799,43 3.965,44 4.893,45 5.143,46 4.075,47 4.108,48 5.817,49 4.003,50 4.971,51 5.239,52 4.084,53 4.101,54 5.898,55 3.963,56 0.031,57 0.893,58 12.681,59 4.808,60 8.977,61 7.142,62 0.31,63 1.351,64 25.794,65 8.346,66 28.56,67 12.364,68 0.384,69 1.522,70 37.86,71 10.723,72 35.1,73 15.99,74 0.543,75 1.572,76 45.522,77 11.733,78 52.239,79 17.363,80 0.47,81 1.561,82 41.158,83 11.431,84 43.95,85 17.715,86 0.447,87 1.483,88 38.511,89 10.171,90 43.048,91 15.987,92 0.393,93 1.485,94 33.505,95 9.422,96 38.141,97 14.544,98 0.481,99 1.457,100 39.345,101 10.224,102 50.916,103 16.027,104 36,105 43,106 0.256,107 0.58,108 0.778,109 0.851,110 0.851,111 0.851,112 3.44,113 1.044,114 -6.14,115 -5.98,116 -5.56,119 35.6,120 3,121 2,125 4,127 1,138 3,139 1,140 2,143 1,145 1,146 1,148 1,153 1,163 3,165 2,166 3,169 4,171 3,172 8,176 1,179 2,180 1,181 2,183 4,186 1,187 5,190 3,191 1,192 3,194 6,198 4,201 1,202 1,203 1,205 2,209 7,214 5,220 2,221 3,226 9,227 2,231 7,236 4,238 2,241 1,242 4,245 1,247 1,249 3,252 1668,253 20.256,254 20.256,255 20.256,256 20.256,257 20.256,258 18.298,259 29.154,260 11.999,261 21.058,262 15.664,263 15.664,264 15.664,265 15.664,266 15.664,267 12.704,268 45.197,269 5.547,270 16.993,271 4.318,272 2.337,273 1.132,274 0.682,275 0.682,276 0.682,277 4.121,279 2,282 1,283 1,284 809,285 4.183,287 76.654,288 187.938,291 137.287,295 2.167,296 23.804,299 0.75,300 0.5,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.77,307 64.167,308 389,309 4.55,310 3.275,311 6.544,312 4.038,313 3.099,314 4.497,315 0.8,316 10.368,317 2.907,318 4.228,319 3.144,320 6.058,321 3.781,322 2.849,323 3.879,324 0.657,325 8.703,326 2.626,327 3.717,328 2.789,329 5.45,330 3.461,331 2.52,332 3.095,333 0.4,334 7.255,335 2.374,336 3.517,337 2.752,338 5.271,339 3.338,340 2.421,341 2.857,343 6.645,344 2.219,345 3.451,346 2.659,347 5.226,348 3.077,349 2.177,350 2.75,352 6.344,353 1.945,354 3.42,355 2.287,356 4.956,357 2.955,358 2.052,359 2.456,361 5.792,362 1.859,363 3.16,364 2.063,365 4.807,366 2.906,367 1.977,368 2.209,370 5.432,371 1.75,372 2.85,373 1.957,374 4.185,375 2.376,376 1.478,377 1.982,379 3.791,380 1.247,381 2.602,382 1.247,383 3.824,384 2.134,385 1.181,386 1.647,388 2.816,389 1.125,390 2.3,391 1.154,392 3.437,393 2.013,394 1.08,395 1.241,397 2.321,398 1.004,399 2.134,400 1.074,401 3.37,402 1.869,403 0.947,404 1.125,406 2.266,407 0.864,408 1.873,409 0.766,410 3.179,411 1.591,412 0.618,413 0.725,415 1.417,416 0.6,417 1.618,418 0.744,419 2.775,420 1.478,421 0.57,422 0.618,424 0.791,425 0.502,426 1.268,427 0.381,428 2.707,429 1.109,430 0.146,431 0.149,433 0.256,434 0.139,435 1.191,436 0.258,437 2.618,438 0.843,439 -0.02,440 -0.024,442 -0.048,443 -0.015,444 14.729,445 0.491,446 0.677,447 0.023,448 35.25,449 1.175,450 15,451 0.5,452 20.25,453 0.675,454 30.61,455 1.02,456 33.871,457 0.574,458 24.294,459 0.81,460 6.519,461 0.217,462 7.976,463 0.266,464 0.199,466 0.299,472 0.859,473 1.66,474 0.652,475 1.096,476 0.75,477 1.026,478 0.799,479 1.093,480 0.676,481 0.877,482 0.55,483 0.905,484 1.018,485 1.061,486 0.881,487 0.909,488 0.861,489 0.92,490 0.837,491 1.091,492 0.887,493 1.061,494 0.828,495 1.059,496 0.878,497 0.889,498 0.705,499 0.8,500 0.88,501 0.863,502 0.885,503 0.971,504 0.701,505 0.801,506 0.788,507 0.812,508 1.011,509 1.086,510 0.79,511 0.906,512 0.92,513 0.956,514 0.891,515 1.15,516 0.823,517 1.016,518 0.846,519 1.024,520 6.5,521 0.198,522 3.111,523 1.938,524 1.218,525 0.848,526 0.602,527 0.493,528 0.293,529 0.302,530 12053,531 31852,532 2.012,533 49.2,535 12,537 1,538 3,540 13,542 1.728,543 1.875,544 3.623,545 0.933,550 92.304,551 1.564,552 3.546,553 4.751,554 5.2,555 5.2,556 5.2,557 3.111,558 4.707,559 4.873,560 3.839,561 1670.03,562 8.503,563 24309.5,568 347.076,569 1.436,570 4.831,571 0.203,572 0.007,573 0.072,574 0.045,575 0.031,576 0.025,577 0.016,578 0.012,579 0.008,580 0.01,581 0.431,582 0.17,583 0.75,584 1.836,585 156.805,586 -0.062,587 -0.319,588 0.019,589 -0.086,590 -0.046,591 -0.026,592 0.135,593 0.081,594 0.083,595 0.067,596 0.241,597 0.052,598 -0.026,599 -0.016,600 0.031,601 0.051,602 0.045,603 0.047,604 0.149,605 -0.082,606 0.049,607 -0.097,608 0.149,609 -0.088,610 -0.035,611 0.059,612 0.042,613 0.096,614 -0.064,615 0.084,616 0.013,617 0.009,618 0.095,619 0.112,620 0.069,621 0.139,622 -0.051,623 0.002,625 0.014,626 -0.012,627 -0.012,628 0.076,629 -0.147,630 0.05,631 -0.082,632 0.096,633 -0.069,634 1.102,635 2.18,636 0.5,637 34.88,638 0.999,639 1.142,640 4.908,641 24.09,642 0.659,643 3.497,644 3.784,645 4.007,646 4.22,647 4.357,648 4.466,649 4.554,650 4.682,651 4.71,652 4.804,653 7.636,654 0.612,655 450.47,656 3.497,657 5.017,658 5.844,659 6.701,660 7.544,661 8.408,662 9.261,663 10.131,664 10.99,665 11.865,666 11.9,669 1,671 2,674 1,676 3,680 2,681 4,682 3,683 1,686 5,688 16,697 2,702 2,703 59,705 16,706 1,707 32,709 61,710 21,711 11,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 11,730 10,747 29,748 6,749 3,750 9,751 2,753 1,755 7,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 3,802 2,805 30,810 6,811 2,814 1,815 1,824 2,832 16,833 11.252,834 6.833,835 3.924,836 3.035,837 1.41,838 0.959,839 8.571,840 10.435,841 3.714,842 4.287,843 4.843,844 5.413,845 5.877,846 6.165,847 6.473,848 6.859,849 6.955,850 7.276,851 0.889,852 43,853 11.055,854 4.493,855 7.591,856 21.46,857 17.052,859 2.091,860 62.722,864 306.049,865 95.288,866 106.288,867 78.297,871 95.288,872 384.346,873 106.288,874 26.476,875 13.492,876 28.429,877 106.768,878 31.812,879 6.371,880 294.278,881 78.297,882 306.049,883 201.576,885 78.297,887 154.74,888 153.024,891 70.395,892 43.088,893 164.675,895 306.049,896 106.288,897 173.585,900 306.049,901 31.765,902 66.647,903 52.807,904 128.654,905 306.049,906 106.288,907 173.585,909 0.57,910 0.331,911 0.169,912 0.081,913 18,914 9,915 0.18,916 11,917 1,918 1.133,919 4.182,920 249.336,921 0.133,922 15,923 143.207,928 23.074,929 11.144,930 6.449,931 1.382,932 89.502,933 7.082,934 13.506,935 3.102,938 3.413,940 52.807,941 585.922,942 40,952 58.963,953 67.359,954 0.266,955 0.603,956 0.808,957 0.884,958 0.884,959 0.884,960 4.934,961 1.478,962 5.814,963 5.432,964 4.466,965 4.973,966 1.145,967 6.578,968 4.305,969 6.12,970 1.181,971 7.347,972 3.791,973 4.007,974 4.796,975 0.325,976 7.391,977 3.715,978 7.414,979 1.08,980 8.974,981 2.816,982 6.019,983 7.173,984 0.634,985 10.446,986 5.72,987 8.745,988 0.947,989 10.658,990 2.321,991 6.365,992 7.857,993 0.268,994 12.083,995 5.949,996 10.109,997 0.618,998 12.378,999 2.266,1000 7.831,1001 9.714,1002 0.364,1003 14.661,1004 7.399,1005 11.497,1006 0.57,1007 14.124,1008 1.417,1009 8.558,1010 10.812,1011 0.188,1012 16.668,1013 8.026,1014 12.905,1015 0.146,1016 15.889,1017 0.791,1018 9.804,1019 12.458,1020 0.215,1021 19.081,1022 9.241,1023 3.099,1024 -0.02,1025 17.67,1026 0.256,1027 10.722,1028 13.759,1029 0.125,1030 21.26,1031 10.072,1032 2.849,1033 10.368,1034 19.464,1035 -0.048,1036 11.877,1037 15.314,1038 0.129,1039 23.615,1040 11.185,1041 2.52,1042 8.703,1043 21.269,1044 4.497,1045 12.89,1046 16.715,1047 0.082,1048 25.875,1049 12.12,1050 2.421,1051 7.255,1052 23.083,1053 3.879,1054 14.011,1055 18.232,1056 0.079,1057 28.211,1058 13.191,1059 2.177,1060 6.645,1061 24.905,1062 3.095,1063 15.073,1064 19.68,1065 0.054,1066 30.508,1067 14.181,1068 2.052,1069 6.344,1070 26.734,1071 2.857,1072 16.183,1073 21.182,1074 0.048,1075 32.839,1076 15.235,1077 1.977,1078 5.792,1079 28.569,1080 2.75,1081 17.27,1082 22.655,1083 0.035,1084 35.154,1085 16.255,1086 11941,1087 19842,1088 20.978,1089 38.892,1090 46.375,1091 47.016,1092 48.326,1093 46.613,1094 46.229,1095 58.458,1096 3.715,1097 128.393,1098 42.327,1099 5.486,1100 5.275,1101 6.162,1102 5.12,1103 5.099,1104 7.497,1105 1.457,1106 17.32,1107 4.907,1108 16.773,1109 1.449,1110 1.469,1111 1.51,1112 1.457,1113 1.445,1114 1.827,1115 0.116,1116 4.012,1117 1.323,1118 4.083,1119 4.142,1120 4.108,1121 3.915,1122 5.187,1123 3.934,1124 3.91,1125 3.931,1126 4.034,1127 3.836,1128 5.012,1129 3.845,1130 3.803,1131 3.878,1132 3.664,1133 3.637,1134 4.631,1135 3.632,1136 3.633,1137 3.715,1138 3.598,1139 3.441,1140 4.597,1141 3.439,1142 3.377,1143 3.461,1144 3.492,1145 3.154,1146 4.337,1147 3.168,1148 3.306,1149 3.407,1150 3.302,1151 3.123,1152 4.269,1153 3.094,1154 3.293,1155 3.38,1156 3.183,1157 3.103,1158 4.123,1159 3.089,1160 3.154,1161 3.243,1162 3.04,1163 2.94,1164 4.027,1165 2.948,1166 0.142,1167 0.102,1168 0.204,1169 0.126,1170 0.097,1171 4.55,1172 0.141,1173 3.275,1174 0.025,1175 6.544,1176 0.324,1177 4.038,1178 0.091,1179 3.099,1180 4.497,1181 0.8,1182 10.368,1183 2.907,1184 1.908,1185 1.887,1186 2.019,1187 2.05,1188 1.339,1189 2.031,1190 1.815,1191 1.763,1192 1.976,1193 1.973,1194 1.157,1195 1.988,1196 1.745,1197 1.684,1198 1.899,1199 1.927,1200 1.123,1201 1.925,1202 1.605,1203 1.529,1204 1.796,1205 1.814,1206 0.897,1207 1.831,1208 1.351,1209 1.259,1210 1.725,1211 1.647,1212 0.869,1213 1.638,1214 1.344,1215 1.256,1216 1.64,1217 1.584,1218 0.837,1219 1.616,1220 1.28,1221 1.19,1222 1.483,1223 1.519,1224 0.617,1225 1.557,1226 1.218,1227 1.15,1228 1.445,1229 1.452,1230 0.437,1231 1.462,1232 4.174,1233 5.468,1234 2.398,1235 6.944,1236 4.595,1237 8.51,1238 6.605,1239 10.127,1241 6.55,1242 12.278,1247 5.961,1248 6.754,1251 0.26,1252 2.433,1257 36.126,1258 92.304,1259 209.194,1260 280.282,1261 306.811,1262 306.811,1263 306.811,1264 52.602,1265 7.4,1266 81.76,1267 81.76,1268 17,1269 12.408,1270 4.087,1271 3.17,1272 55.359,1273 135,1274 141,1275 0.196,1276 233.763,1277 391.02,1278 562.143,1279 16973,1280 3.4,1281 21.51,1282 0.717,1283 0.64,1284 22.51,1285 19.186,1286 14.495,1287 0.453,1288 0.348,1289 10.301,1290 13.387,1291 9.932,1292 8.299,1293 15.072,1294 11.131,1295 12.64,1296 0.294,1297 0.189,1298 13.419,1299 8.144,1300 10.313,1301 0.191,1302 0.106,1303 10.928,1304 5.715,1305 8.354,1306 0.125,1307 0.057,1308 9.05,1309 3.798,1310 5.87,1311 0.076,1312 0.028,1313 6.228,1314 2.126,1315 0.313,1316 96.519,1317 0.218,1318 28.796,1319 0.521,1320 150,1321 407.986,1322 194.777,1323 460.021,1324 616.65,1325 430,1326 172,1327 416.571,1328 207.735,1329 440.499,1330 644.62,1331 415,1332 5.31}
{0 CHEMBL232641,1 1.528,2 12.875,3 5.763,4 33.213,5 136.099,6 7.362,7 0.471,8 4.241,9 4.388,10 3.793,11 3.732,12 5.226,13 3.686,14 4.811,15 5.037,16 4.16,17 4.115,18 5.746,19 4.037,20 5.047,21 5.302,22 4.243,23 4.272,24 5.909,25 4.16,26 5.125,27 5.379,28 4.293,29 4.306,30 6.036,31 4.17,32 5.175,33 5.469,34 4.043,35 4.253,36 5.961,37 4.107,38 5.113,39 5.395,40 4.13,41 4.223,42 5.964,43 4.107,44 5.076,45 5.336,46 4.066,47 4.253,48 5.919,49 4.12,50 5.141,51 5.429,52 4.125,53 4.25,54 5.96,55 4.095,56 0.038,57 0.97,58 14.565,59 5.435,60 9.355,61 8.183,62 0.356,63 1.479,64 29.406,65 9.189,66 29.964,67 13.886,68 0.424,69 1.695,70 41.624,71 11.795,72 34.164,73 17.854,74 0.563,75 1.8,76 49.478,77 13.094,78 53.813,79 19.621,80 0.499,81 1.822,82 45.49,83 12.522,84 47.06,85 19.832,86 0.586,87 1.753,88 44.092,89 10.839,90 51.748,91 17.83,92 0.42,93 1.755,94 39.451,95 11.365,96 40.607,97 17.861,98 0.546,99 1.715,100 45.098,101 12.764,102 51.07,103 19.981,104 52,105 46,106 0.245,107 0.542,108 0.738,109 0.83,110 0.851,111 0.851,112 3.502,113 1.067,114 -6.56,115 -6.38,116 -5.92,119 35.4,120 4,121 2,125 5,127 1,138 3,139 1,140 2,143 1,145 1,146 1,148 1,153 1,163 3,165 3,166 4,169 3,171 3,172 8,175 2,176 1,179 1,181 2,183 4,186 1,187 5,190 3,191 1,192 3,194 6,198 8,201 2,203 1,205 2,209 12,214 4,220 1,221 4,226 5,227 4,230 1,231 6,236 3,238 3,241 2,242 5,245 1,249 4,252 2118,253 21.627,254 21.627,255 21.627,256 21.627,257 21.627,258 19.676,259 33.897,260 12.711,261 22.498,262 16.574,263 16.574,264 16.574,265 16.574,266 16.574,267 13.526,268 50.197,269 5.789,270 17.991,271 4.495,272 2.644,273 1.424,274 0.851,275 0.723,276 0.723,277 4.182,279 2,283 1,284 852,285 4.359,287 80.322,288 203.704,291 145.756,295 2.125,296 24.169,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 68.167,308 412,309 4.652,310 3.288,311 6.817,312 4.148,313 3.212,314 4.617,315 0.8,316 11.299,317 3.006,318 4.231,319 3.255,320 6.06,321 3.789,322 2.856,323 3.88,324 0.657,325 8.711,326 2.635,327 3.771,328 2.786,329 5.481,330 3.425,331 2.488,332 3.21,333 0.4,334 7.259,335 2.34,336 3.573,337 2.764,338 5.342,339 3.335,340 2.427,341 2.881,343 6.841,344 2.209,345 3.457,346 2.603,347 5.269,348 3.282,349 2.359,350 2.772,352 6.633,353 2.158,354 3.442,355 2.538,356 4.98,357 2.992,358 2.112,359 2.458,361 5.823,362 1.797,363 3.197,364 2.08,365 4.934,366 2.846,367 1.91,368 2.337,370 5.544,371 1.774,372 3.055,373 1.962,374 4.813,375 2.707,376 1.789,377 2.15,379 5.177,380 1.629,381 2.844,382 1.866,383 4.173,384 2.367,385 1.465,386 1.975,388 3.763,389 1.243,390 2.326,391 1.221,392 3.736,393 2.117,394 1.14,395 1.266,397 2.474,398 1.111,399 2.127,400 1.036,401 3.364,402 1.774,403 0.856,404 1.104,406 2.124,407 0.783,408 1.977,409 0.876,410 3.263,411 1.696,412 0.775,413 0.903,415 1.764,416 0.696,417 1.618,418 0.744,419 2.931,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.559,427 0.553,428 2.725,429 1.358,430 0.409,431 0.455,433 0.692,434 0.383,435 1.232,436 0.395,437 2.618,438 1.1,439 0.137,440 0.142,442 0.238,443 0.131,444 15.729,445 0.492,446 0.729,447 0.023,448 36.5,449 1.141,450 15,451 0.469,452 21.5,453 0.672,454 35.215,455 1.1,456 36.471,457 0.561,458 26.057,459 0.814,460 6.639,461 0.207,462 8.805,463 0.275,464 0.218,466 0.305,472 0.832,473 1.725,474 0.675,475 1.162,476 0.752,477 1.08,478 0.852,479 1.083,480 0.684,481 0.855,482 0.551,483 0.884,484 1.048,485 1.039,486 0.868,487 0.873,488 0.872,489 0.883,490 0.85,491 1.166,492 0.887,493 1.087,494 0.865,495 1.074,496 0.957,497 1.007,498 0.732,499 0.851,500 0.93,501 0.902,502 1.063,503 0.986,504 0.764,505 0.813,506 0.867,507 0.849,508 1.113,509 1.107,510 0.84,511 0.963,512 1.006,513 1.053,514 0.674,515 0.994,516 0.667,517 0.91,518 0.645,519 0.93,520 7,521 0.268,522 3.333,523 2.41,524 1.543,525 1.111,526 0.714,527 0.492,528 0.345,529 0.425,530 13727,531 34778,532 1.993,533 50.8,535 14,537 1,538 2,540 16,542 1.748,543 1.846,544 3.611,545 0.239,550 99.295,551 1.528,552 3.378,553 4.599,554 5.172,555 5.299,556 5.299,557 3.108,558 4.813,559 4.965,560 3.828,561 1898.8,562 8.705,563 28718.3,568 391.454,569 1.477,570 4.918,571 0.206,572 0.007,573 0.072,574 0.05,575 0.034,576 0.028,577 0.017,578 0.012,579 0.009,580 0.011,581 0.446,582 0.17,583 0.63,584 1.867,585 169.742,586 -0.025,587 -0.372,588 0.026,589 -0.119,590 -0.04,591 -0.046,592 0.133,593 0.094,594 0.097,595 0.092,596 0.243,597 0.08,598 -0.022,599 0.025,600 0.049,601 0.09,602 0.038,603 0.086,604 0.151,605 -0.12,606 0.041,607 -0.116,608 0.139,609 -0.099,610 -0.054,611 -0.014,612 0.014,613 0.036,614 -0.068,615 0.031,616 -0.039,617 0.046,618 0.033,619 0.07,620 0.059,621 0.073,622 -0.177,623 -0.015,624 -0.098,625 -0.053,626 -0.135,627 -0.111,628 0.157,629 -0.017,630 0.113,631 0.019,632 0.148,633 0.034,634 1.15,635 2.197,636 0.469,637 39.262,638 0.996,639 1.141,640 5.327,641 28.377,642 0.653,643 3.555,644 3.85,645 4.094,646 4.331,647 4.5,648 4.615,649 4.682,650 4.812,651 4.89,652 5.03,653 7.667,654 0.603,655 478.53,656 3.555,657 5.081,658 5.916,659 6.783,660 7.639,661 8.516,662 9.382,663 10.266,664 11.139,665 12.028,666 10.8,669 1,671 2,674 1,676 3,680 2,681 4,682 3,686 5,687 1,688 16,697 2,702 2,703 65,705 16,706 1,707 34,709 67,710 23,711 11,712 3,713 3,717 3,718 4,719 2,721 4,727 3,729 11,730 12,747 33,748 6,749 2,750 9,751 2,753 1,755 7,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 4,802 2,805 32,810 7,811 2,814 1,815 1,824 2,832 17.333,833 12.702,834 7.361,835 4.495,836 3.013,837 1.399,838 0.95,839 9.411,840 10.574,841 3.761,842 4.341,843 4.917,844 5.509,845 5.997,846 6.305,847 6.61,848 6.993,849 7.164,850 7.487,851 0.889,852 48,853 11.813,854 4.777,855 7.554,856 23.058,857 18.318,859 2.054,860 65.722,864 364.904,865 106.219,866 91.401,867 78.297,871 106.219,872 443.201,873 91.401,874 35.301,875 15.598,876 28.429,877 106.768,878 16.926,879 6.371,880 353.133,881 78.297,882 364.904,883 197.62,885 78.297,887 178.282,888 188.338,891 66.439,892 43.088,893 164.675,895 364.904,896 91.401,897 184.516,900 364.904,901 33.871,902 77.372,903 36.022,904 128.654,905 364.904,906 91.401,907 184.516,909 0.569,910 0.337,911 0.176,912 0.089,913 19,914 10,915 0.179,916 12,917 1,918 1.133,919 4.268,920 276.534,921 0.133,922 15,923 154,928 25.034,929 12.031,930 6.709,931 1.6,932 89.502,933 7.277,934 13.889,938 3.472,939 2.07,940 36.022,941 640.822,942 42,952 64.73,953 74.189,954 0.254,955 0.561,956 0.764,957 0.859,958 0.88,959 0.88,960 4.99,961 1.789,962 5.894,963 5.544,964 4.533,965 5.027,966 1.145,967 6.683,968 4.371,969 6.182,970 1.465,971 7.442,972 5.177,973 4.111,974 4.902,975 0.325,976 7.567,977 3.816,978 7.485,979 1.14,980 9.087,981 3.763,982 6.107,983 7.246,984 0.634,985 10.645,986 5.803,987 8.826,988 0.856,989 10.79,990 2.474,991 6.494,992 7.981,993 0.268,994 12.388,995 6.073,996 10.202,997 0.775,998 12.531,999 2.124,1000 7.954,1001 9.823,1002 0.364,1003 15.01,1004 7.513,1005 11.603,1006 0.618,1007 14.3,1008 1.764,1009 8.726,1010 10.97,1011 0.188,1012 17.143,1013 8.187,1014 13.026,1015 0.409,1016 16.092,1017 0.791,1018 9.978,1019 12.615,1020 0.215,1021 19.622,1022 9.404,1023 3.212,1024 0.137,1025 17.904,1026 0.692,1027 10.942,1028 13.962,1029 0.125,1030 21.925,1031 10.283,1032 2.856,1033 11.299,1034 19.731,1035 0.238,1036 12.116,1037 15.528,1038 0.129,1039 24.359,1040 11.411,1041 2.488,1042 8.711,1043 21.572,1044 4.617,1045 13.174,1046 16.968,1047 0.082,1048 26.732,1049 12.394,1050 2.427,1051 7.259,1052 23.424,1053 3.88,1054 14.323,1055 18.503,1056 0.079,1057 29.155,1058 13.488,1059 2.359,1060 6.841,1061 25.287,1062 3.21,1063 15.428,1064 19.987,1065 0.054,1066 31.557,1067 14.523,1068 2.112,1069 6.633,1070 27.159,1071 2.881,1072 16.572,1073 21.513,1074 0.048,1075 33.977,1076 15.608,1077 1.91,1078 5.823,1079 29.038,1080 2.772,1081 17.701,1082 23.017,1083 0.035,1084 36.391,1085 16.67,1086 13674,1087 22222,1088 22.076,1089 42.415,1090 49.069,1091 49.913,1092 52.01,1093 49.524,1094 49.103,1095 61.533,1096 3.715,1097 138.264,1098 44.992,1099 5.59,1100 5.288,1101 6.435,1102 5.231,1103 5.212,1104 7.617,1105 1.457,1106 18.289,1107 5.006,1108 19.052,1109 1.443,1110 1.468,1111 1.53,1112 1.457,1113 1.444,1114 1.81,1115 0.109,1116 4.067,1117 1.323,1118 4.106,1119 4.163,1120 4.113,1121 3.927,1122 5.154,1123 3.955,1124 3.918,1125 3.939,1126 4.058,1127 3.861,1128 5.011,1129 3.858,1130 3.798,1131 3.873,1132 3.658,1133 3.63,1134 4.632,1135 3.626,1136 3.626,1137 3.708,1138 3.602,1139 3.437,1140 4.565,1141 3.434,1142 3.513,1143 3.594,1144 3.484,1145 3.296,1146 4.362,1147 3.308,1148 3.306,1149 3.407,1150 3.413,1151 3.127,1152 4.272,1153 3.115,1154 3.303,1155 3.388,1156 3.188,1157 3.123,1158 4.128,1159 3.089,1160 3.267,1161 3.362,1162 3.063,1163 3.076,1164 4.037,1165 3.056,1166 0.137,1167 0.097,1168 0.201,1169 0.122,1170 0.094,1171 4.652,1172 0.136,1173 3.288,1174 0.024,1175 6.817,1176 0.332,1177 4.148,1178 0.088,1179 3.212,1180 4.617,1181 0.8,1182 11.299,1183 3.006,1184 1.906,1185 1.885,1186 2.023,1187 2.061,1188 1.341,1189 2.041,1190 1.842,1191 1.793,1192 1.973,1193 1.971,1194 1.155,1195 1.986,1196 1.749,1197 1.683,1198 1.923,1199 1.944,1200 1.133,1201 1.949,1202 1.604,1203 1.525,1204 1.875,1205 1.825,1206 1.09,1207 1.845,1208 1.547,1209 1.47,1210 1.725,1211 1.782,1212 0.869,1213 1.775,1214 1.351,1215 1.256,1216 1.722,1217 1.584,1218 0.866,1219 1.638,1220 1.292,1221 1.206,1222 1.63,1223 1.527,1224 0.767,1225 1.567,1226 1.239,1227 1.171,1228 1.464,1229 1.461,1230 0.645,1231 1.471,1232 4.234,1233 5.533,1234 2.398,1235 7.02,1236 4.727,1237 8.6,1238 6.843,1239 10.233,1241 8.706,1242 12.311,1247 6.787,1248 6.881,1251 0.28,1252 2.45,1257 39.18,1258 99.295,1259 219.562,1260 298.925,1261 336.17,1262 344.434,1263 344.434,1264 59.462,1265 7.561,1266 70.9,1267 70.9,1268 17,1269 12.562,1270 4.087,1271 3.17,1272 61.053,1273 140,1274 156,1275 0.203,1276 252.948,1277 425.62,1278 608.953,1279 19971,1280 3.1,1281 23.087,1282 0.721,1283 0.651,1284 24.087,1285 20.84,1286 15.443,1287 0.454,1288 0.356,1289 11.259,1290 14.301,1291 10.827,1292 9.063,1293 16.021,1294 12.098,1295 13.368,1296 0.291,1297 0.19,1298 14.147,1299 8.746,1300 11.062,1301 0.187,1302 0.106,1303 11.677,1304 6.241,1305 9.011,1306 0.12,1307 0.056,1308 9.707,1309 4.18,1310 6.615,1311 0.074,1312 0.027,1313 6.974,1314 2.439,1315 0.321,1316 102.332,1317 0.213,1318 30.183,1319 0.548,1320 160,1321 423.298,1322 205.471,1323 474.383,1324 639.41,1325 444,1326 185,1327 436.768,1328 221.9,1329 460.543,1330 676.81,1331 434,1332 5.585}
{0 CHEMBL2326608,1 1.963,2 12.188,3 4.8,4 23.036,5 130.247,6 10.189,7 0.6,8 4.039,9 4.12,10 4.014,11 3.716,12 5.176,13 3.658,14 4.557,15 4.674,16 4.456,17 4.123,18 5.927,19 4.039,20 4.766,21 4.911,22 4.428,23 4.176,24 5.992,25 4.09,26 4.817,27 4.992,28 4.437,29 4.133,30 6.08,31 4.058,32 4.779,33 4.956,34 4.436,35 4.127,36 6.065,37 4.048,38 4.773,39 4.936,40 4.393,41 4.178,42 6.072,43 4.092,44 4.779,45 4.946,46 4.404,47 4.189,48 6.015,49 4.084,50 4.712,51 4.864,52 4.267,53 4.14,54 5.909,55 3.997,56 0.168,57 0.758,58 7.049,59 4.597,60 19.041,61 4.475,62 0.487,63 1.215,64 19.818,65 8.512,66 53.682,67 8.325,68 0.595,69 1.444,70 26.401,71 10.599,72 64.904,73 10.008,74 0.741,75 1.481,76 31.836,77 10.787,78 75.72,79 10.961,80 0.785,81 1.415,82 30.155,83 10.269,84 78.617,85 10.668,86 0.692,87 1.403,88 32.164,89 11.259,90 76.001,91 11.429,92 0.664,93 1.375,94 27.299,95 10.927,96 80.292,97 10.975,98 0.566,99 1.265,100 30.042,101 11.398,102 54.121,103 11.549,104 40,105 51,106 0.324,107 0.646,108 0.769,109 0.877,110 0.89,111 0.897,112 3.503,113 1.075,114 -4.96,115 -4.86,116 -4.56,119 42,120 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 5,169 4,171 3,172 15,176 9,179 1,181 4,183 6,186 2,187 14,192 6,194 4,197 2,198 9,203 4,205 9,209 12,212 1,214 2,217 11,221 7,224 1,226 2,227 16,230 1,231 6,236 3,238 12,241 1,242 5,246 1,247 1,249 11,252 1836,253 20.988,254 20.988,255 20.988,256 20.988,257 20.988,258 17.954,259 24.686,260 12.199,261 21.75,262 17.304,263 17.304,264 17.304,265 17.304,266 17.304,267 12.629,268 33.11,269 5.845,270 18.716,271 3.681,272 1.734,273 0.986,274 0.335,275 0.255,276 0.215,277 4.191,279 1,280 1,283 1,284 831,285 4.183,287 157.907,288 190.221,291 134.408,295 1.836,296 43.494,299 0.75,300 0.83,301 0.83,302 0.3,304 0.83,305 1,306 0.65,307 69.667,308 390,309 4.881,310 4.689,311 7.321,312 4.342,313 3.43,314 4.766,315 1.909,316 12.601,317 3.162,318 4.676,319 3.52,320 6.905,321 4.155,322 3.218,323 4.629,324 0.561,325 11.551,326 2.96,327 4.082,328 3.401,329 5.803,330 3.701,331 2.711,332 3.679,333 0.522,334 8.067,335 2.685,336 3.86,337 2.943,338 5.539,339 3.318,340 2.419,341 3.424,343 7.299,344 2.264,345 3.699,346 2.896,347 5.335,348 3.244,349 2.361,350 3.124,352 6.741,353 2.11,354 3.544,355 2.689,356 5.077,357 3.165,358 2.186,359 2.74,361 5.926,362 1.985,363 3.382,364 2.391,365 4.993,366 2.926,367 1.986,368 2.726,370 5.829,371 1.856,372 3.289,373 2.145,374 4.598,375 2.888,376 1.914,377 2.53,379 4.994,380 1.813,381 2.797,382 1.613,383 4.441,384 2.305,385 1.371,386 1.887,388 3.911,389 1.268,390 2.751,391 1.593,392 4.404,393 2.237,394 1.336,395 1.851,397 3.847,398 1.179,399 2.658,400 1.298,401 3.731,402 2.166,403 1.179,404 1.729,406 2.783,407 1.121,408 2.599,409 1.216,410 3.497,411 2.097,412 1.158,413 1.63,415 2.621,416 1.016,417 2.179,418 1.056,419 3.282,420 1.559,421 0.686,422 1.019,424 1.67,425 0.577,426 1.778,427 0.811,428 3.116,429 1.516,430 0.547,431 0.632,433 1.219,434 0.526,435 1.261,436 0.4,437 2.984,438 0.934,439 -0.026,440 -0.033,442 -0.075,443 -0.024,444 16.195,445 0.506,446 1.033,447 0.032,448 43.25,449 1.352,450 23,451 0.719,452 20.25,453 0.633,454 28.428,455 0.888,456 33.605,457 0.672,458 34.602,459 1.081,460 8.32,461 0.26,462 6.905,463 0.216,464 0.181,465 0.051,466 0.303,472 0.535,473 1.136,474 0.635,475 0.947,476 0.617,477 0.783,478 0.573,479 1.061,480 0.581,481 0.763,482 0.52,483 0.815,484 1.09,485 1.235,486 0.974,487 1.088,488 1.081,489 1.038,490 0.94,491 1.169,492 0.773,493 0.919,494 0.919,495 0.949,496 0.829,497 0.945,498 0.691,499 0.788,500 0.831,501 0.855,502 0.9,503 0.924,504 0.949,505 0.97,506 0.827,507 0.894,508 1.076,509 0.843,510 0.722,511 0.725,512 1.15,513 0.861,514 0.97,515 1.137,516 1.243,517 1.21,518 0.914,519 1.218,520 8.5,521 0.258,522 3.778,523 2.979,524 1.971,525 1.344,526 0.892,527 0.583,528 0.508,529 0.27,530 13505,531 50116,532 2.037,533 36,535 13,538 2,539 3,542 1.748,543 1.873,544 3.556,545 0.301,550 98.141,551 1.963,552 3.91,553 4.658,554 5.309,555 5.389,556 5.429,557 3.067,558 4.812,559 4.966,560 3.723,561 1846.55,562 8.712,563 26675.3,568 282.193,569 1.646,570 4.907,571 0.243,572 0.009,573 0.074,574 0.061,575 0.04,576 0.028,577 0.018,578 0.012,579 0.013,580 0.008,581 0.506,582 0.17,583 0.88,584 1.078,585 167.397,586 0.055,587 -0.011,588 0.081,589 -0.025,590 -0.121,591 0.037,592 0.206,593 0.027,594 0.175,595 0.141,596 0.208,597 0.043,598 -0.147,599 -0.193,600 -0.075,601 -0.129,602 -0.143,603 -0.12,604 0.025,605 -0.136,606 0.073,607 -0.033,608 0.004,609 -0.019,610 0.113,611 0.072,612 0.146,613 0.087,614 0.065,615 0.085,616 0.014,617 0.074,618 -0.016,619 -0.005,620 0.07,621 0.076,622 -0.125,623 0.128,624 0.098,625 0.186,626 -0.131,627 0.098,628 -0.09,629 -0.179,630 -0.188,631 -0.182,632 -0.083,633 -0.217,634 4.79,635 5.823,636 0.625,637 32.938,638 1.025,639 1.113,640 3.725,641 13.879,642 0.75,643 3.584,644 3.951,645 4.19,646 4.489,647 4.691,648 4.812,649 4.949,650 5.1,651 5.231,652 5.298,653 7.103,654 0.709,655 509.47,656 3.584,657 5.153,658 6.004,659 6.907,660 7.783,661 8.691,662 9.58,663 10.493,664 11.389,665 12.305,666 8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 2,703 50,705 24,706 2,707 35,709 53,710 21,711 17,712 5,713 7,717 4,718 5,719 2,721 1,729 18,730 3,733 3,736 1,737 3,741 1,747 18,748 6,749 2,750 11,751 4,755 4,760 0.75,761 3,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 2,805 32,808 1,810 2,811 2,820 1,824 2,825 6,828 3,832 17.083,833 9.269,834 6.819,835 2.735,836 3.749,837 1.477,838 1.016,839 6.884,840 11.607,841 3.902,842 4.585,843 5.134,844 5.76,845 6.237,846 6.585,847 6.97,848 7.413,849 7.763,850 8.095,851 1,852 49,853 12.101,854 5.521,855 7.999,856 22.128,857 18.431,859 2.499,860 79.972,864 188.338,865 158.703,866 52.855,867 78.297,868 69.458,870 37.085,871 121.618,872 336.093,873 52.855,874 8.825,875 22.222,876 91.094,877 107.231,878 15.895,879 43.621,880 219.615,881 39.149,882 188.338,883 174.473,884 69.458,885 115.382,887 188.338,888 69.458,891 34.497,892 106.908,893 78.024,894 70.426,895 188.338,896 122.313,897 237,899 5.807,900 188.338,901 58.784,902 95.888,903 34.416,904 164.418,905 188.338,906 122.313,907 237,909 0.593,910 0.329,911 0.177,912 0.1,913 25,914 12,915 0.132,916 7,917 1,918 1.1,919 4.197,920 297.709,921 0.1,922 20,923 158,924 1,927 1,928 23.206,929 9.493,930 5.349,931 1.196,932 120.537,933 15.984,934 4.511,937 0.959,938 2.875,939 1.692,940 34.416,941 547.651,942 48.5,945 -3.873,946 36.837,950 -0.105,952 51.258,953 55.671,954 0.348,955 0.693,956 0.825,957 0.941,958 0.955,959 0.962,960 5.155,961 1.914,962 6.038,963 5.829,964 4.635,965 5.273,966 2.096,967 6.903,968 4.495,969 6.42,970 1.371,971 7.636,972 4.994,973 4.443,974 5.394,975 1.593,976 8.08,977 4.193,978 7.781,979 1.336,980 9.344,981 3.911,982 6.319,983 7.633,984 2.929,985 11.145,986 6.048,987 9.183,988 1.179,989 11.12,990 3.847,991 6.919,992 8.567,993 3.032,994 13.172,995 6.529,996 10.62,997 1.158,998 12.944,999 2.783,1000 8.339,1001 10.347,1002 4.047,1003 15.839,1004 7.919,1005 12.083,1006 0.686,1007 14.803,1008 2.621,1009 9.286,1010 11.634,1011 4.414,1012 18.18,1013 8.75,1014 13.567,1015 0.547,1016 16.687,1017 1.67,1018 10.552,1019 13.258,1020 5.259,1021 20.735,1022 9.968,1023 3.43,1024 -0.026,1025 18.592,1026 1.219,1027 11.65,1028 14.696,1029 5.757,1030 23.186,1031 10.959,1032 3.218,1033 12.601,1034 20.513,1035 -0.075,1036 12.869,1037 16.265,1038 6.511,1039 25.709,1040 12.113,1041 2.711,1042 11.551,1043 22.445,1044 4.766,1045 14.031,1046 17.767,1047 7.078,1048 28.199,1049 13.178,1050 2.419,1051 8.067,1052 24.388,1053 4.629,1054 15.239,1055 19.32,1056 7.782,1057 30.715,1058 14.31,1059 2.361,1060 7.299,1061 26.337,1062 3.679,1063 16.43,1064 20.848,1065 8.386,1066 33.22,1067 15.408,1068 2.186,1069 6.741,1070 28.293,1071 3.424,1072 17.637,1073 22.397,1074 9.064,1075 35.735,1076 16.535,1077 1.986,1078 5.926,1079 30.253,1080 3.124,1081 18.841,1082 23.937,1083 9.687,1084 38.247,1085 17.65,1086 13087,1087 25506,1088 22.77,1089 37.489,1090 53.554,1091 54.948,1092 54.623,1093 53.25,1094 52.998,1095 72.734,1096 5.984,1097 158.118,1098 49.043,1099 5.73,1100 6.689,1101 6.877,1102 5.514,1103 5.43,1104 7.766,1105 3.31,1106 20.167,1107 5.162,1108 18.563,1109 1.53,1110 1.57,1111 1.561,1112 1.521,1113 1.514,1114 2.078,1115 0.171,1116 4.518,1117 1.401,1118 4.167,1119 4.191,1120 4.794,1121 4.133,1122 7.717,1123 4.067,1124 3.999,1125 3.969,1126 4.182,1127 3.993,1128 7.43,1129 3.928,1130 3.914,1131 3.938,1132 4.128,1133 3.859,1134 6.999,1135 3.853,1136 3.593,1137 3.645,1138 3.868,1139 3.528,1140 5.08,1141 3.423,1142 3.557,1143 3.546,1144 3.568,1145 3.362,1146 4.886,1147 3.384,1148 3.391,1149 3.438,1150 3.477,1151 3.217,1152 4.737,1153 3.223,1154 3.147,1155 3.217,1156 3.182,1157 3.007,1158 4.621,1159 2.996,1160 3.036,1161 3.085,1162 3.151,1163 2.913,1164 4.224,1165 2.897,1166 0.139,1167 0.134,1168 0.209,1169 0.124,1170 0.098,1171 4.881,1172 0.136,1173 4.689,1174 0.055,1175 7.321,1176 0.36,1177 4.342,1178 0.09,1179 3.43,1180 4.766,1181 1.909,1182 12.601,1183 3.162,1184 1.966,1185 1.943,1186 2.066,1187 2.062,1188 1.245,1189 2.065,1190 1.905,1191 1.889,1192 1.973,1193 1.977,1194 1.143,1195 1.992,1196 1.73,1197 1.778,1198 1.747,1199 1.847,1200 0.945,1201 1.884,1202 1.518,1203 1.461,1204 1.617,1205 1.763,1206 0.849,1207 1.762,1208 1.42,1209 1.405,1210 1.574,1211 1.613,1212 0.702,1213 1.606,1214 1.367,1215 1.318,1216 1.432,1217 1.474,1218 0.606,1219 1.513,1220 1.156,1221 1.109,1222 1.335,1223 1.362,1224 0.546,1225 1.395,1226 1.089,1227 1.027,1228 1.08,1229 1.221,1230 0.37,1231 1.255,1232 4.263,1233 5.617,1234 3.045,1235 7.143,1236 5.416,1237 8.753,1238 7.535,1239 10.413,1241 1.468,1242 12.306,1247 0.806,1248 5.315,1257 35.474,1258 98.141,1259 195.483,1260 232.909,1261 265.438,1262 269.438,1263 271.438,1264 73.824,1265 7.858,1266 93.09,1267 129.71,1268 22,1269 12.82,1270 4.644,1271 3.858,1272 51.7,1273 134,1274 152,1275 0.187,1276 231.456,1277 390.23,1278 556.512,1279 28156,1280 4,1281 22.88,1282 0.715,1283 0.623,1284 24.484,1285 19.947,1286 15.225,1287 0.435,1288 0.358,1289 9.628,1290 13.122,1291 9.117,1292 7.527,1293 17.032,1294 12.538,1295 14.819,1296 0.291,1297 0.217,1298 17.764,1299 11.065,1300 11.372,1301 0.175,1302 0.123,1303 14.099,1304 8.014,1305 9.693,1306 0.11,1307 0.068,1308 12.254,1309 5.987,1310 7.684,1311 0.071,1312 0.04,1313 10.373,1314 4.371,1315 0.292,1316 113.391,1317 0.21,1318 29.751,1319 0.519,1320 172,1321 563.29,1322 292.128,1323 646.965,1324 851.76,1325 594,1326 202,1327 534.064,1328 306.706,1329 611.956,1330 895.07,1331 572,1332 7.5}
{0 CHEMBL2326609,1 2.003,2 12.188,3 4.341,4 18.842,5 125.658,6 9.86,7 0.6,8 4.042,9 4.126,10 3.989,11 3.694,12 5.211,13 3.647,14 4.561,15 4.681,16 4.424,17 4.092,18 5.964,19 4.023,20 4.773,21 4.923,22 4.376,23 4.127,24 6.052,25 4.066,26 4.826,27 5.008,28 4.36,29 4.084,30 6.169,31 4.03,32 4.785,33 4.968,34 4.371,35 4.075,36 6.104,37 4.026,38 4.784,39 4.955,40 4.308,41 4.125,42 6.232,43 4.062,44 4.785,45 4.957,46 4.305,47 4.122,48 6.087,49 4.052,50 4.723,51 4.887,52 4.182,53 4.062,54 6.013,55 3.958,56 0.186,57 0.837,58 7.85,59 4.801,60 22.635,61 4.57,62 0.519,63 1.335,64 20.729,65 8.744,66 57.6,67 8.362,68 0.667,69 1.616,70 26.072,71 10.526,72 80.296,73 9.819,74 0.876,75 1.74,76 30.225,77 10.594,78 92.992,79 10.828,80 0.867,81 1.592,82 26.422,83 10.054,84 99.426,85 10.286,86 0.888,87 1.63,88 29.017,89 11.095,90 131.575,91 11.101,92 0.734,93 1.589,94 25.241,95 10.839,96 90.203,97 10.732,98 0.678,99 1.554,100 27.146,101 11.315,102 75.86,103 10.915,104 40,105 51,106 0.331,107 0.652,108 0.769,109 0.877,110 0.89,111 0.897,112 3.503,113 1.042,114 -4.85,115 -4.76,116 -4.47,119 42,120 1,125 2,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 5,169 4,171 3,172 13,176 9,179 1,181 4,183 5,186 2,187 12,192 5,194 3,197 2,198 9,203 4,205 9,209 10,212 1,214 2,217 10,221 7,224 1,226 2,227 12,230 1,231 6,236 3,238 9,241 1,242 5,246 1,247 1,249 9,252 1836,253 20.988,254 20.988,255 20.988,256 20.988,257 20.988,258 17.954,259 24.713,260 12.199,261 21.691,262 17.304,263 17.304,264 17.304,265 17.304,266 17.304,267 12.629,268 33.152,269 5.845,270 18.591,271 3.641,272 1.694,273 0.986,274 0.335,275 0.255,276 0.215,277 4.191,280 1,283 1,284 831,285 4.183,287 157.907,288 190.221,291 134.408,295 1.836,296 51.349,299 1,300 0.83,301 1,302 0.4,304 1,305 1,306 0.75,307 70.833,308 390,309 4.881,310 4.689,311 7.321,312 4.344,313 3.43,314 4.766,315 1.909,316 12.601,317 3.181,318 4.676,319 3.52,320 6.905,321 4.16,322 3.218,323 4.629,324 0.561,325 11.551,326 2.967,327 4.082,328 3.396,329 5.803,330 3.703,331 2.711,332 3.679,333 0.522,334 8.067,335 2.689,336 3.86,337 2.94,338 5.539,339 3.327,340 2.419,341 3.424,343 7.299,344 2.278,345 3.699,346 2.896,347 5.335,348 3.245,349 2.361,350 3.124,352 6.741,353 2.142,354 3.544,355 2.679,356 5.077,357 3.176,358 2.186,359 2.74,361 5.926,362 1.993,363 3.382,364 2.386,365 4.993,366 2.939,367 1.986,368 2.726,370 5.829,371 1.903,372 3.289,373 2.145,374 4.598,375 2.888,376 1.914,377 2.53,379 4.994,380 1.817,381 2.797,382 1.613,383 4.441,384 2.32,385 1.371,386 1.887,388 3.911,389 1.301,390 2.751,391 1.588,392 4.404,393 2.238,394 1.336,395 1.851,397 3.847,398 1.18,399 2.658,400 1.297,401 3.731,402 2.169,403 1.179,404 1.729,406 2.783,407 1.154,408 2.599,409 1.216,410 3.497,411 2.106,412 1.158,413 1.63,415 2.621,416 1.028,417 2.179,418 1.056,419 3.282,420 1.559,421 0.686,422 1.019,424 1.67,425 0.577,426 1.778,427 0.811,428 3.116,429 1.516,430 0.547,431 0.632,433 1.219,434 0.526,435 1.261,436 0.388,437 2.984,438 0.938,439 -0.026,440 -0.033,442 -0.075,443 -0.025,444 15.767,445 0.493,446 1.033,447 0.032,448 43.25,449 1.352,450 23,451 0.719,452 20.25,453 0.633,454 27.373,455 0.855,456 34.033,457 0.681,458 35.656,459 1.114,460 8.451,461 0.264,462 6.774,463 0.212,464 0.159,465 0.053,466 0.311,470 1,472 0.529,473 1.04,474 0.672,475 0.989,476 0.59,477 0.811,478 0.577,479 1.01,480 0.597,481 0.808,482 0.532,483 0.846,484 1.075,485 1.215,486 0.981,487 1.119,488 1.058,489 1.056,490 0.929,491 1.047,492 0.736,493 0.889,494 0.944,495 0.947,496 0.854,497 0.957,498 0.674,499 0.817,500 0.885,501 0.851,502 0.929,503 0.982,504 0.885,505 0.915,506 0.847,507 0.874,508 1.044,509 0.96,510 0.756,511 0.834,512 1.087,513 0.905,514 1.125,515 1.284,516 1.138,517 1.203,518 1.123,519 1.204,520 8.5,521 0.258,522 3.778,523 2.979,524 1.971,525 1.344,526 0.892,527 0.583,528 0.508,529 0.27,530 13505,531 50116,532 2.037,533 36,535 13,538 2,539 3,542 1.748,543 1.873,544 3.556,545 0.301,547 1,550 100.141,551 2.003,552 3.95,553 4.658,554 5.309,555 5.389,556 5.429,557 3.067,558 4.812,559 4.966,560 3.723,561 1846.55,562 8.712,563 26675.3,568 282.193,569 1.646,570 4.907,571 0.243,572 0.009,573 0.074,574 0.061,575 0.04,576 0.028,577 0.018,578 0.012,579 0.013,580 0.008,581 0.506,582 0.17,583 0.88,584 1.078,585 167.397,586 0.039,587 -0.017,588 0.104,589 -0.021,590 -0.097,591 0.039,592 0.162,593 -0.019,594 0.204,595 0.12,596 0.157,597 0.032,598 -0.144,599 -0.201,600 -0.076,601 -0.152,602 -0.133,603 -0.133,604 0.051,605 -0.017,606 0.072,607 -0.01,608 0.01,609 -0.021,610 0.076,611 0.021,612 0.153,613 0.052,614 0.007,615 0.09,616 0.055,617 0.086,618 -0.014,619 0.049,620 0.148,621 0.089,622 -0.106,623 -0.011,624 0.05,625 0.074,626 -0.103,627 0.055,628 -0.117,629 -0.176,630 -0.173,631 -0.174,632 -0.111,633 -0.215,634 4.898,635 6.674,636 0.625,637 32.938,638 1.029,639 1.121,640 3.618,641 13.093,642 0.731,643 3.584,644 3.951,645 4.19,646 4.489,647 4.691,648 4.812,649 4.949,650 5.1,651 5.231,652 5.298,653 7.103,654 0.701,655 493.02,656 3.584,657 5.153,658 6.004,659 6.907,660 7.783,661 8.691,662 9.58,663 10.493,664 11.389,665 12.305,666 8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 2,703 50,705 24,706 2,707 35,709 53,710 21,711 17,712 5,713 7,717 4,718 5,719 1,721 1,729 18,730 3,733 3,736 1,737 3,741 1,745 1,747 18,748 7,749 2,750 11,751 3,755 4,760 0.75,761 3,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 1,803 1,805 32,808 1,810 2,811 2,820 1,824 2,825 6,828 3,832 17.083,833 9.269,834 6.819,835 2.735,836 3.749,837 1.477,838 1.019,839 6.63,840 11.607,841 3.902,842 4.585,843 5.134,844 5.76,845 6.237,846 6.585,847 6.97,848 7.413,849 7.763,850 8.095,851 1,852 49,853 12.194,854 5.661,855 8.121,856 21.988,857 18.323,859 2.621,860 83.861,864 188.338,865 164.323,866 52.855,867 39.149,868 69.458,869 14.96,870 37.085,871 127.238,872 296.944,873 67.815,874 8.825,875 22.222,876 91.094,877 107.231,878 21.515,879 58.581,880 219.615,882 188.338,883 180.093,884 84.418,885 76.234,887 203.298,888 69.458,891 34.497,892 112.528,893 38.875,894 70.426,895 203.298,896 122.313,897 203.472,899 5.807,900 188.338,901 64.404,902 95.888,903 34.416,904 140.23,905 188.338,906 137.273,907 203.472,909 0.593,910 0.329,911 0.177,912 0.1,913 25,914 12,915 0.132,916 7,917 1,918 1.1,919 4.197,920 297.709,921 0.1,922 20,923 158,924 1,927 1,928 22.867,929 9.278,930 5.206,931 0.521,932 135.497,933 14.837,934 4.355,937 0.898,938 1.405,939 1.537,940 34.416,941 529.083,942 48.5,945 -3.981,946 36.656,950 -0.132,952 51.447,953 56.067,954 0.355,955 0.7,956 0.825,957 0.941,958 0.955,959 0.962,960 5.155,961 1.914,962 6.038,963 5.829,964 4.635,965 5.273,966 2.096,967 6.903,968 4.508,969 6.42,970 1.371,971 7.636,972 4.994,973 4.443,974 5.394,975 1.593,976 8.08,977 4.22,978 7.781,979 1.336,980 9.344,981 3.911,982 6.319,983 7.633,984 2.929,985 11.145,986 6.068,987 9.183,988 1.179,989 11.12,990 3.847,991 6.919,992 8.567,993 3.032,994 13.172,995 6.56,996 10.62,997 1.158,998 12.944,999 2.783,1000 8.339,1001 10.347,1002 4.047,1003 15.839,1004 7.946,1005 12.083,1006 0.686,1007 14.803,1008 2.621,1009 9.286,1010 11.634,1011 4.414,1012 18.18,1013 8.786,1014 13.567,1015 0.547,1016 16.687,1017 1.67,1018 10.552,1019 13.258,1020 5.259,1021 20.735,1022 10.004,1023 3.43,1024 -0.026,1025 18.592,1026 1.219,1027 11.65,1028 14.696,1029 5.757,1030 23.186,1031 11.003,1032 3.218,1033 12.601,1034 20.513,1035 -0.075,1036 12.869,1037 16.265,1038 6.511,1039 25.709,1040 12.159,1041 2.711,1042 11.551,1043 22.445,1044 4.766,1045 14.031,1046 17.767,1047 7.078,1048 28.199,1049 13.23,1050 2.419,1051 8.067,1052 24.388,1053 4.629,1054 15.239,1055 19.32,1056 7.782,1057 30.715,1058 14.366,1059 2.361,1060 7.299,1061 26.337,1062 3.679,1063 16.43,1064 20.848,1065 8.386,1066 33.22,1067 15.471,1068 2.186,1069 6.741,1070 28.293,1071 3.424,1072 17.637,1073 22.397,1074 9.064,1075 35.735,1076 16.603,1077 1.986,1078 5.926,1079 30.253,1080 3.124,1081 18.841,1082 23.937,1083 9.687,1084 38.247,1085 17.724,1086 13087,1087 25506,1088 22.77,1089 36.568,1090 53.554,1091 54.909,1092 54.623,1093 53.14,1094 52.998,1095 72.734,1096 5.984,1097 158.118,1098 49.472,1099 5.73,1100 6.689,1101 6.877,1102 5.516,1103 5.43,1104 7.766,1105 3.31,1106 20.167,1107 5.181,1108 18.563,1109 1.53,1110 1.569,1111 1.561,1112 1.518,1113 1.514,1114 2.078,1115 0.171,1116 4.518,1117 1.413,1118 4.169,1119 4.195,1120 4.793,1121 4.131,1122 8.201,1123 4.063,1124 4,1125 3.969,1126 4.168,1127 3.985,1128 7.717,1129 3.927,1130 3.915,1131 3.94,1132 4.081,1133 3.856,1134 7.43,1135 3.851,1136 3.593,1137 3.646,1138 3.852,1139 3.528,1140 6.999,1141 3.422,1142 3.558,1143 3.548,1144 3.499,1145 3.361,1146 4.982,1147 3.383,1148 3.394,1149 3.444,1150 3.335,1151 3.209,1152 4.884,1153 3.219,1154 3.147,1155 3.217,1156 3.168,1157 3.006,1158 4.71,1159 2.995,1160 3.039,1161 3.091,1162 3.026,1163 2.898,1164 4.331,1165 2.888,1166 0.139,1167 0.134,1168 0.209,1169 0.124,1170 0.098,1171 4.881,1172 0.136,1173 4.689,1174 0.055,1175 7.321,1176 0.36,1177 4.344,1178 0.091,1179 3.43,1180 4.766,1181 1.909,1182 12.601,1183 3.181,1184 1.965,1185 1.94,1186 2.067,1187 2.066,1188 1.243,1189 2.067,1190 1.904,1191 1.887,1192 1.982,1193 1.989,1194 1.134,1195 1.997,1196 1.73,1197 1.777,1198 1.747,1199 1.847,1200 0.945,1201 1.884,1202 1.518,1203 1.461,1204 1.617,1205 1.765,1206 0.847,1207 1.762,1208 1.42,1209 1.405,1210 1.575,1211 1.619,1212 0.702,1213 1.609,1214 1.366,1215 1.316,1216 1.433,1217 1.475,1218 0.606,1219 1.514,1220 1.156,1221 1.108,1222 1.335,1223 1.363,1224 0.545,1225 1.395,1226 1.089,1227 1.027,1228 1.086,1229 1.223,1230 0.368,1231 1.256,1232 4.263,1233 5.617,1234 3.045,1235 7.143,1236 5.416,1237 8.753,1238 7.535,1239 10.413,1241 1.445,1242 5.86,1243 14.674,1247 0.659,1248 5.128,1257 35.029,1258 100.141,1259 197.483,1260 232.909,1261 265.438,1262 269.438,1263 271.438,1264 83.07,1265 7.858,1266 93.09,1267 129.71,1268 22,1269 12.82,1270 4.644,1271 3.858,1272 51.7,1273 134,1274 152,1275 0.187,1276 224.321,1277 381.09,1278 539.103,1279 28156,1280 4,1281 22.88,1282 0.715,1283 0.6,1284 23.113,1285 19.191,1286 15.225,1287 0.435,1288 0.347,1289 9.573,1290 13.302,1291 9.117,1292 7.527,1293 16.333,1294 12.16,1295 14.819,1296 0.291,1297 0.209,1298 16.856,1299 10.658,1300 11.372,1301 0.175,1302 0.118,1303 13.35,1304 7.699,1305 9.693,1306 0.11,1307 0.065,1308 11.445,1309 5.728,1310 7.684,1311 0.071,1312 0.039,1313 9.867,1314 4.177,1315 0.292,1316 111.082,1317 0.21,1318 29.751,1319 0.519,1320 172,1321 623.198,1322 280.44,1323 646.965,1324 851.76,1325 594,1326 202,1327 550.535,1328 298.487,1329 611.956,1330 895.07,1331 572,1332 7.1}
{0 CHEMBL2326610,1 1.917,2 12.212,3 4.014,4 16.113,5 131.18,6 9.805,7 0.583,8 4.054,9 4.138,10 4,11 3.726,12 5.243,13 3.675,14 4.563,15 4.683,16 4.424,17 4.125,18 5.937,19 4.049,20 4.777,21 4.925,22 4.383,23 4.183,24 6.021,25 4.111,26 4.842,27 5.022,28 4.372,29 4.154,30 6.127,31 4.095,32 4.822,33 5.005,34 4.41,35 4.146,36 6.187,37 4.089,38 4.797,39 4.968,40 4.33,41 4.197,42 6.061,43 4.12,44 4.832,45 5.003,46 4.336,47 4.207,48 6.24,49 4.127,50 4.737,51 4.893,52 4.243,53 4.166,54 5.989,55 4.047,56 0.158,57 0.788,58 7.981,59 4.654,60 21.239,61 4.481,62 0.467,63 1.254,64 20.808,65 8.528,66 54.956,67 8.309,68 0.542,69 1.517,70 25.68,71 10.404,72 67.352,73 9.941,74 0.622,75 1.612,76 29.692,77 10.649,78 81.587,79 10.961,80 0.782,81 1.582,82 25.254,83 9.919,84 85.314,85 10.577,86 0.519,87 1.537,88 28.696,89 11.049,90 71.958,91 11.392,92 0.719,93 1.522,94 25.025,95 10.767,96 134.534,97 10.946,98 0.483,99 1.415,100 26.463,101 11.137,102 50.919,103 11.408,104 43,105 52,106 0.313,107 0.656,108 0.769,109 0.873,110 0.886,111 0.893,112 3.532,113 1.037,114 -4.14,115 -4.08,116 -3.86,119 43.1,120 1,125 2,138 9,139 4,143 1,148 1,149 2,151 2,159 1,163 11,165 1,166 6,169 4,171 3,172 14,176 13,179 1,181 5,183 6,186 2,187 13,192 5,194 3,197 4,198 12,201 1,203 4,205 10,209 10,212 1,214 2,217 14,220 2,221 8,224 1,226 2,227 15,230 1,231 10,236 3,238 11,241 1,242 8,246 1,247 2,249 9,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.785,259 26.409,260 12.722,261 22.52,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 12.881,268 35.022,269 6,270 18.943,271 3.756,272 1.661,273 0.966,274 0.329,275 0.25,276 0.211,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 46.209,299 0.75,300 0.83,301 0.83,302 0.3,304 0.67,305 1,306 0.63,307 71.833,308 403,309 4.883,310 4.689,311 7.322,312 4.35,313 3.431,314 4.772,315 2.035,316 12.608,317 3.215,318 4.692,319 4.073,320 6.925,321 4.173,322 3.227,323 4.639,324 1.909,325 11.652,326 2.978,327 4.088,328 3.52,329 5.839,330 3.708,331 2.715,332 3.682,333 0.561,334 8.158,335 2.696,336 3.863,337 3.294,338 5.551,339 3.373,340 2.419,341 3.424,342 0.522,343 7.416,344 2.334,345 3.848,346 2.906,347 5.365,348 3.251,349 2.397,350 3.248,352 6.797,353 2.197,354 3.56,355 2.887,356 5.116,357 3.205,358 2.204,359 2.754,361 6.032,362 2.01,363 3.42,364 2.545,365 5.015,366 2.975,367 2.005,368 2.726,370 5.926,371 1.945,372 3.32,373 2.23,374 4.609,375 2.888,376 1.918,377 2.544,379 5.003,380 1.819,381 3.143,382 2.144,383 4.507,384 2.392,385 1.416,386 1.979,388 4.109,389 1.38,390 2.796,391 1.613,392 4.438,393 2.24,394 1.349,395 1.884,397 3.874,398 1.191,399 2.716,400 1.507,401 3.732,402 2.18,403 1.185,404 1.736,406 2.797,407 1.177,408 2.658,409 1.277,410 3.497,411 2.129,412 1.176,413 1.729,415 2.629,416 1.037,417 2.512,418 1.214,419 3.283,420 1.561,421 0.687,422 1.021,424 1.671,425 0.579,426 2.179,427 1.056,428 3.143,429 1.517,430 0.548,431 0.877,433 1.22,434 0.527,435 1.778,436 0.808,437 3.023,438 1.414,439 0.469,440 0.631,442 0.768,443 0.442,444 16.381,445 0.496,446 0.995,447 0.03,448 46.75,449 1.417,450 26,451 0.788,452 20.75,453 0.629,454 27.475,455 0.833,456 34.019,457 0.667,458 38.445,459 1.165,460 8.963,461 0.272,462 6.8,463 0.206,464 0.16,465 0.051,466 0.299,472 0.537,473 1.109,474 0.679,475 0.981,476 0.583,477 0.796,478 0.562,479 1.02,480 0.606,481 0.792,482 0.494,483 0.832,484 1.065,485 1.207,486 0.979,487 1.111,488 0.998,489 1.048,490 0.99,491 1.223,492 0.731,493 0.909,494 0.92,495 0.95,496 0.78,497 0.898,498 0.667,499 0.78,500 0.82,501 0.845,502 0.945,503 0.962,504 0.899,505 0.976,506 0.905,507 0.9,508 1.1,509 0.791,510 0.774,511 0.74,512 1.131,513 0.863,514 0.818,515 1.185,516 1.108,517 1.229,518 0.854,519 1.206,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 52295,532 2.036,533 35.3,535 13,538 2,539 3,542 1.757,543 1.877,544 3.552,545 0.282,550 97.763,551 1.917,552 4.011,553 4.706,554 5.344,555 5.422,556 5.462,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 289.294,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.064,587 -0.011,588 0.108,589 -0.024,590 -0.085,591 0.038,592 0.233,593 0.039,594 0.208,595 0.14,596 0.187,597 0.041,598 -0.128,599 -0.183,600 -0.072,601 -0.142,602 -0.124,603 -0.122,604 -0.049,605 -0.2,606 0.065,607 -0.031,608 -0.022,609 -0.017,610 0.178,611 0.133,612 0.149,613 0.082,614 0.088,615 0.085,616 -0.082,617 0.041,618 -0.01,619 0.006,620 -0.033,621 0.078,622 -0.086,623 0.182,624 0.023,625 0.163,626 -0.007,627 0.086,628 -0.025,629 -0.209,630 -0.139,631 -0.194,632 -0.05,633 -0.209,634 4.849,635 5.871,636 0.606,637 34.793,638 1.023,639 1.114,640 2.907,641 8.451,642 0.743,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.709,655 500.04,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 9.8,671 1,673 1,674 1,675 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,689 1,702 1,703 51,705 25,706 2,707 36,709 54,710 22,711 17,712 5,713 7,717 4,718 5,719 1,721 1,728 1,729 18,730 3,733 3,736 1,737 3,741 1,747 18,748 7,749 2,750 11,751 3,755 5,760 0.75,761 3,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 1,805 33,808 1,810 2,811 2,818 1,820 1,821 1,823 1,824 1,825 5.9,828 3,832 17.583,833 9.576,834 7.153,835 2.812,836 3.816,837 1.481,838 1.011,839 6.825,840 11.74,841 3.961,842 4.615,843 5.186,844 5.822,845 6.325,846 6.687,847 7.12,848 7.535,849 7.903,850 8.293,851 1,852 51,853 12.475,854 5.692,855 8.056,856 22.676,857 18.797,859 2.556,860 84.361,864 188.338,865 174.99,866 83.915,867 39.149,868 69.458,870 37.085,871 137.904,872 296.944,873 83.915,874 8.825,875 22.222,876 91.094,877 123.832,878 46.639,879 43.621,880 219.615,882 188.338,883 221.819,884 69.458,885 76.234,887 188.338,888 69.458,891 65.557,892 123.194,893 38.875,894 70.426,895 188.338,896 153.373,897 214.138,899 5.807,900 188.338,901 58.469,902 95.888,903 51.017,904 156.329,905 188.338,906 153.373,907 214.138,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.13,916 7,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 164.465,924 1,927 1,928 23.406,929 9.622,930 5.26,931 1.031,932 151.596,933 15.678,934 4.492,937 0.932,938 2.607,939 1.646,940 34.416,941 555.848,942 51.5,945 -3.932,946 36.949,950 -0.119,952 52.153,953 56.81,954 0.338,955 0.707,956 0.83,957 0.942,958 0.956,959 0.963,960 5.216,961 1.918,962 6.057,963 5.926,964 4.654,965 5.303,966 2.798,967 6.923,968 4.541,969 6.481,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.246,978 7.839,979 1.349,980 9.361,981 4.109,982 6.337,983 7.659,984 3.97,985 11.169,986 6.111,987 9.237,988 1.185,989 11.138,990 3.874,991 6.929,992 8.58,993 3.032,994 13.198,995 6.607,996 10.67,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.369,1002 5.294,1003 15.866,1004 8,1005 12.129,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.651,1011 4.414,1012 18.208,1013 8.848,1014 13.609,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.277,1020 6.659,1021 20.764,1022 10.07,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.714,1029 5.757,1030 23.217,1031 11.078,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.286,1038 8.041,1039 25.741,1040 12.24,1041 2.715,1042 11.652,1043 22.463,1044 4.772,1045 14.046,1046 17.787,1047 7.078,1048 28.232,1049 13.321,1050 2.419,1051 8.158,1052 24.405,1053 4.639,1054 15.255,1055 19.342,1056 9.431,1057 30.748,1058 14.465,1059 2.397,1060 7.416,1061 26.354,1062 3.682,1063 16.445,1064 20.871,1065 8.386,1066 33.254,1067 15.58,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.421,1074 10.826,1075 35.77,1076 16.72,1077 2.005,1078 6.032,1079 30.27,1080 3.248,1081 18.857,1082 23.962,1083 9.687,1084 38.283,1085 17.852,1086 13996,1087 26965,1088 23.463,1089 37.875,1090 55.996,1091 58.777,1092 56.097,1093 54.379,1094 54.291,1095 75.297,1096 10.053,1097 161.317,1098 51.051,1099 5.731,1100 6.689,1101 6.909,1102 5.521,1103 5.431,1104 7.772,1105 4.069,1106 20.175,1107 5.215,1108 19.021,1109 1.555,1110 1.633,1111 1.558,1112 1.511,1113 1.508,1114 2.092,1115 0.279,1116 4.481,1117 1.418,1118 4.172,1119 4.198,1120 4.793,1121 4.134,1122 7.717,1123 4.074,1124 4.001,1125 3.969,1126 4.168,1127 3.998,1128 7.43,1129 3.93,1130 3.917,1131 3.942,1132 4.084,1133 3.861,1134 6.999,1135 3.855,1136 3.596,1137 3.648,1138 3.853,1139 3.53,1140 6.82,1141 3.428,1142 3.56,1143 3.557,1144 3.503,1145 3.364,1146 5,1147 3.386,1148 3.426,1149 3.467,1150 3.387,1151 3.242,1152 4.885,1153 3.258,1154 3.166,1155 3.224,1156 3.171,1157 3.037,1158 4.713,1159 3.042,1160 3.147,1161 3.209,1162 3.108,1163 2.995,1164 4.359,1165 2.987,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.883,1172 0.133,1173 4.689,1174 0.057,1175 7.322,1176 0.35,1177 4.35,1178 0.089,1179 3.431,1180 4.772,1181 2.035,1182 12.608,1183 3.215,1184 1.976,1185 1.954,1186 2.07,1187 2.068,1188 1.247,1189 2.07,1190 1.917,1191 1.896,1192 2,1193 1.994,1194 1.151,1195 2.005,1196 1.731,1197 1.781,1198 1.748,1199 1.847,1200 0.945,1201 1.885,1202 1.52,1203 1.463,1204 1.618,1205 1.766,1206 0.851,1207 1.764,1208 1.423,1209 1.405,1210 1.581,1211 1.627,1212 0.703,1213 1.617,1214 1.38,1215 1.335,1216 1.437,1217 1.477,1218 0.606,1219 1.515,1220 1.164,1221 1.113,1222 1.339,1223 1.367,1224 0.547,1225 1.399,1226 1.089,1227 1.04,1228 1.175,1229 1.259,1230 0.372,1231 1.273,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 1.458,1242 5.899,1247 0.738,1248 5.272,1255 9.604,1256 2.107,1257 36.141,1258 97.763,1259 204.584,1260 240.009,1261 272.539,1262 276.539,1263 278.539,1264 80.054,1265 7.925,1266 116.88,1267 153.5,1268 22,1269 12.853,1270 4.7,1271 4.044,1272 54.105,1273 139,1274 160,1275 0.189,1276 233.655,1277 398.04,1278 561.877,1279 30173,1280 2,1281 23.587,1282 0.715,1283 0.599,1284 24.691,1285 19.76,1286 15.763,1287 0.438,1288 0.346,1289 9.875,1290 13.909,1291 9.39,1292 7.775,1293 17.281,1294 12.444,1295 15.01,1296 0.289,1297 0.208,1298 17.584,1299 10.836,1300 11.699,1301 0.175,1302 0.117,1303 14.089,1304 7.87,1305 9.957,1306 0.109,1307 0.064,1308 12.157,1309 5.863,1310 8.044,1311 0.071,1312 0.038,1313 10.447,1314 4.285,1315 0.294,1316 113.797,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 580.732,1322 281.303,1323 638.713,1324 847.02,1325 586,1326 207,1327 550.61,1328 300.661,1329 621.157,1330 903.89,1331 580,1332 6.5}
{0 CHEMBL2326611,1 1.897,2 12.212,3 3.531,4 12.466,5 132.258,6 9.353,7 0.583,8 4.11,9 4.197,10 4.008,11 3.744,12 5.25,13 3.692,14 4.628,15 4.754,16 4.432,17 4.148,18 5.974,19 4.069,20 4.833,21 4.987,22 4.392,23 4.211,24 6.033,25 4.133,26 4.918,27 5.1,28 4.387,29 4.197,30 6.14,31 4.129,32 4.935,33 5.127,34 4.431,35 4.196,36 6.233,37 4.131,38 4.901,39 5.083,40 4.352,41 4.245,42 6.061,43 4.156,44 4.96,45 5.136,46 4.361,47 4.257,48 6.307,49 4.168,50 4.857,51 5.016,52 4.276,53 4.229,54 6.049,55 4.099,56 0.186,57 0.825,58 10.142,59 5.262,60 24.6,61 5.325,62 0.524,63 1.315,64 24.42,65 9.499,66 63.512,67 9.597,68 0.556,69 1.569,70 29.332,71 11.225,72 64.372,73 11.692,74 0.656,75 1.67,76 33.463,77 11.696,78 79.008,79 12.854,80 0.951,81 1.683,82 31.053,83 11.009,84 89.236,85 12.461,86 0.621,87 1.649,88 36.674,89 12.93,90 75.631,91 13.674,92 0.987,93 1.623,94 33.558,95 12.939,96 155.354,97 13.544,98 0.573,99 1.528,100 34.053,101 13.341,102 60.906,103 13.849,104 43,105 52,106 0.309,107 0.647,108 0.774,109 0.872,110 0.893,111 0.899,112 3.532,113 1.053,114 -3.94,115 -3.89,116 -3.69,119 40.7,120 1,125 3,138 9,139 4,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 5,169 4,171 4,172 14,176 11,179 1,181 7,183 6,186 2,187 12,192 6,194 3,197 2,198 11,201 2,202 1,203 5,205 10,209 10,212 1,214 2,217 14,221 7,224 3,226 3,227 15,230 1,231 6,236 7,238 11,241 1,242 5,246 1,247 5,249 9,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.801,260 12.722,261 22.53,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 13.058,268 38.514,269 6,270 18.964,271 3.858,272 1.784,273 1.001,274 0.398,275 0.273,276 0.236,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 46.999,299 0.75,300 0.83,301 0.83,302 0.5,304 0.67,305 1,306 0.65,307 72.333,308 403,309 4.882,310 4.689,311 7.322,312 4.35,313 3.431,314 4.768,315 1.909,316 12.608,317 3.213,318 4.683,319 3.52,320 6.925,321 4.173,322 3.227,323 4.632,324 0.765,325 11.652,326 2.978,327 4.084,328 3.36,329 5.839,330 3.707,331 2.715,332 3.68,333 0.561,334 8.158,335 2.695,336 3.86,337 2.923,338 5.551,339 3.372,340 2.419,341 3.424,342 0.522,343 7.416,344 2.33,345 3.732,346 2.895,347 5.365,348 3.251,349 2.397,350 3.159,352 6.797,353 2.195,354 3.549,355 2.633,356 5.116,357 3.204,358 2.204,359 2.745,361 6.032,362 2.009,363 3.388,364 2.367,365 5.015,366 2.974,367 2.005,368 2.726,370 5.926,371 1.944,372 3.295,373 2.145,374 4.609,375 2.888,376 1.918,377 2.535,379 5.003,380 1.819,381 2.8,382 1.631,383 4.507,384 2.389,385 1.416,386 1.892,388 4.109,389 1.374,390 2.774,391 1.612,392 4.438,393 2.24,394 1.349,395 1.873,397 3.874,398 1.19,399 2.659,400 1.316,401 3.732,402 2.179,403 1.185,404 1.729,406 2.797,407 1.176,408 2.63,409 1.217,410 3.497,411 2.128,412 1.176,413 1.675,415 2.629,416 1.037,417 2.179,418 1.057,419 3.283,420 1.561,421 0.687,422 1.019,424 1.671,425 0.578,426 1.778,427 0.952,428 3.143,429 1.517,430 0.548,431 0.632,433 1.22,434 0.527,435 1.64,436 0.796,437 3.023,438 1.37,439 0.469,440 0.531,442 0.768,443 0.417,444 16.314,445 0.494,446 0.995,447 0.03,448 43.75,449 1.326,450 23,451 0.697,452 20.75,453 0.629,454 29.416,455 0.891,456 35.286,457 0.653,458 36.504,459 1.106,460 8.544,461 0.259,462 7.219,463 0.219,464 0.156,465 0.051,466 0.3,472 0.63,473 1.138,474 0.698,475 0.986,476 0.699,477 0.824,478 0.642,479 1.044,480 0.625,481 0.79,482 0.595,483 0.843,484 0.972,485 1.24,486 0.95,487 1.111,488 0.973,489 1.05,490 0.947,491 1.253,492 0.727,493 0.94,494 0.89,495 0.986,496 0.808,497 0.911,498 0.685,499 0.766,500 0.778,501 0.86,502 0.938,503 0.973,504 0.963,505 1.026,506 0.883,507 0.911,508 1.162,509 0.788,510 0.816,511 0.758,512 1.269,513 0.868,514 0.874,515 1.21,516 1.169,517 1.315,518 0.914,519 1.25,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 50741,532 2.036,533 38.9,535 15,538 3,539 3,542 1.757,543 1.877,544 3.552,545 0.922,550 102.418,551 1.897,552 3.971,553 4.754,554 5.357,555 5.482,556 5.519,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 310.764,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.021,587 0.009,588 0.105,589 0.01,590 -0.14,591 0.055,592 0.164,593 0.054,594 0.194,595 0.157,596 0.153,597 0.053,598 -0.099,599 -0.187,600 -0.052,601 -0.141,602 -0.105,603 -0.116,604 -0.039,605 -0.225,606 0.053,607 -0.07,608 -0.014,609 -0.059,610 0.154,611 0.135,612 0.117,613 0.077,614 0.093,615 0.055,616 -0.085,617 0.06,618 -0.03,619 -0.009,620 -0.041,621 0.073,622 -0.06,623 0.17,624 0.008,625 0.165,626 -0.038,627 0.086,628 -0.044,629 -0.213,630 -0.174,631 -0.241,632 -0.063,633 -0.247,634 4.821,635 5.892,636 0.606,637 34.793,638 1.021,639 1.118,640 2.709,641 7.339,642 0.719,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.683,655 505.06,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 7.4,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 1,703 54,705 24,706 2,707 36,709 57,710 22,711 17,712 5,713 7,717 4,718 5,719 1,721 2,729 18,730 4,733 3,736 1,737 3,741 1,747 21,748 7,749 3,750 11,751 3,755 4,760 0.75,761 4,762 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 1,802 1,805 33,808 1,809 1,810 3,811 2,820 1,824 1,825 7.4,826 1,828 3,832 17.583,833 9.826,834 7.153,835 2.924,836 3.729,837 1.471,838 0.991,839 7.167,840 11.654,841 3.922,842 4.595,843 5.152,844 5.782,845 6.267,846 6.62,847 7.022,848 7.455,849 7.812,850 8.165,851 1,852 51,853 12.508,854 5.699,855 8.026,856 22.86,857 19.015,859 2.526,860 83.361,864 211.88,865 158.388,866 52.855,867 39.149,868 112.141,870 37.085,871 121.303,872 363.17,873 52.855,874 8.825,875 22.222,876 133.777,877 107.231,878 15.58,879 43.621,880 243.158,882 211.88,883 174.158,884 112.141,885 76.234,887 211.88,888 69.458,889 42.683,891 34.497,892 106.593,893 38.875,894 70.426,895 211.88,896 164.997,897 197.536,899 5.807,900 211.88,901 58.469,902 95.888,903 34.416,904 167.953,905 211.88,906 164.997,907 197.536,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.14,916 8,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 164.465,924 1,927 1,928 23.858,929 9.913,930 5.45,931 1.205,932 163.22,933 15.973,934 4.532,937 0.948,938 2.985,939 1.686,940 77.099,941 574.413,942 49.5,945 -3.904,946 36.996,950 -0.112,952 55.145,953 60.352,954 0.33,955 0.69,956 0.826,957 0.931,958 0.953,959 0.959,960 5.172,961 1.918,962 6.057,963 5.926,964 4.654,965 5.283,966 2.231,967 6.923,968 4.538,969 6.431,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.246,978 7.79,979 1.349,980 9.361,981 4.109,982 6.337,983 7.64,984 2.965,985 11.169,986 6.108,987 9.192,988 1.185,989 11.138,990 3.874,991 6.929,992 8.572,993 3.032,994 13.198,995 6.606,996 10.629,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.353,1002 4.053,1003 15.866,1004 7.997,1005 12.092,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.639,1011 4.414,1012 18.208,1013 8.846,1014 13.576,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.263,1020 5.26,1021 20.764,1022 10.067,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.701,1029 5.757,1030 23.217,1031 11.076,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.271,1038 6.511,1039 25.741,1040 12.237,1041 2.715,1042 11.652,1043 22.463,1044 4.768,1045 14.046,1046 17.773,1047 7.078,1048 28.232,1049 13.318,1050 2.419,1051 8.158,1052 24.405,1053 4.632,1054 15.255,1055 19.326,1056 7.782,1057 30.748,1058 14.461,1059 2.397,1060 7.416,1061 26.354,1062 3.68,1063 16.445,1064 20.855,1065 8.386,1066 33.254,1067 15.576,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.404,1074 9.064,1075 35.77,1076 16.716,1077 2.005,1078 6.032,1079 30.27,1080 3.159,1081 18.857,1082 23.944,1083 9.687,1084 38.283,1085 17.847,1086 13996,1087 26553,1088 23.463,1089 38.847,1090 54.612,1091 56.178,1092 56.097,1093 54.355,1094 54.291,1095 74.038,1096 7.513,1097 161.317,1098 50.963,1099 5.731,1100 6.689,1101 6.909,1102 5.521,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.213,1108 19.021,1109 1.517,1110 1.56,1111 1.558,1112 1.51,1113 1.508,1114 2.057,1115 0.209,1116 4.481,1117 1.416,1118 4.174,1119 4.2,1120 4.793,1121 4.134,1122 7.717,1123 4.074,1124 4.001,1125 3.969,1126 4.168,1127 3.998,1128 7.43,1129 3.93,1130 3.917,1131 3.942,1132 4.082,1133 3.861,1134 6.999,1135 3.855,1136 3.597,1137 3.65,1138 3.852,1139 3.53,1140 6.457,1141 3.427,1142 3.561,1143 3.56,1144 3.501,1145 3.364,1146 5.005,1147 3.385,1148 3.436,1149 3.474,1150 3.366,1151 3.241,1152 4.885,1153 3.252,1154 3.204,1155 3.255,1156 3.169,1157 3.035,1158 4.713,1159 3.03,1160 3.147,1161 3.215,1162 3.074,1163 2.995,1164 4.366,1165 2.985,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.35,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.213,1184 1.978,1185 1.956,1186 2.074,1187 2.072,1188 1.263,1189 2.074,1190 1.918,1191 1.897,1192 2.015,1193 2.001,1194 1.188,1195 2.013,1196 1.731,1197 1.781,1198 1.749,1199 1.847,1200 0.946,1201 1.886,1202 1.521,1203 1.463,1204 1.62,1205 1.767,1206 0.865,1207 1.766,1208 1.424,1209 1.405,1210 1.594,1211 1.642,1212 0.713,1213 1.632,1214 1.385,1215 1.341,1216 1.465,1217 1.485,1218 0.606,1219 1.519,1220 1.176,1221 1.119,1222 1.4,1223 1.417,1224 0.597,1225 1.432,1226 1.104,1227 1.07,1228 1.325,1229 1.35,1230 0.514,1231 1.374,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 1.463,1242 5.909,1246 9.854,1247 0.507,1248 5.32,1257 36.888,1258 102.418,1259 214.421,1260 256.725,1261 289.254,1262 296.009,1263 298.009,1264 80.319,1265 7.925,1266 113.32,1267 149.94,1268 22,1269 12.853,1270 4.644,1271 3.858,1272 54.105,1273 139,1274 160,1275 0.189,1276 236.711,1277 401.11,1278 569.336,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.605,1284 24.691,1285 19.967,1286 15.763,1287 0.438,1288 0.351,1289 10.057,1290 13.87,1291 9.571,1292 7.912,1293 17.281,1294 12.641,1295 15.01,1296 0.289,1297 0.211,1298 17.584,1299 10.994,1300 11.699,1301 0.175,1302 0.119,1303 14.089,1304 8.006,1305 9.957,1306 0.109,1307 0.066,1308 12.157,1309 5.973,1310 8.044,1311 0.071,1312 0.039,1313 10.447,1314 4.37,1315 0.294,1316 114.151,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 573.236,1322 282.048,1323 623.599,1324 827.3,1325 574,1326 207,1327 532.717,1328 301.324,1329 601.596,1330 879.95,1331 562,1332 8.2}
{0 CHEMBL2326612,1 1.885,2 12.235,3 3.875,4 15.016,5 135.845,6 9.401,7 0.568,8 4.121,9 4.208,10 4.026,11 3.772,12 5.267,13 3.719,14 4.643,15 4.773,16 4.457,17 4.17,18 5.999,19 4.094,20 4.85,21 4.994,22 4.419,23 4.232,24 6.096,25 4.163,26 4.92,27 5.093,28 4.422,29 4.231,30 6.173,31 4.17,32 4.954,33 5.136,34 4.482,35 4.245,36 6.279,37 4.184,38 4.95,39 5.134,40 4.402,41 4.291,42 6.126,43 4.204,44 4.972,45 5.141,46 4.419,47 4.305,48 6.359,49 4.218,50 4.923,51 5.086,52 4.35,53 4.284,54 6.156,55 4.164,56 0.162,57 0.831,58 9.796,59 5.28,60 20.045,61 5.407,62 0.492,63 1.332,64 24.591,65 9.632,66 58.312,67 9.88,68 0.609,69 1.584,70 29.101,71 11.23,72 78.639,73 11.127,74 0.638,75 1.688,76 32.324,77 11.628,78 79.549,79 12.533,80 0.898,81 1.724,82 30.322,83 11.476,84 90.015,85 12.983,86 0.665,87 1.755,88 35.338,89 12.818,90 77.275,91 13.471,92 0.908,93 1.678,94 34.853,95 13.53,96 153.275,97 13.997,98 0.681,99 1.602,100 34.986,101 13.835,102 84.76,103 14.233,104 56,105 54,106 0.305,107 0.635,108 0.759,109 0.872,110 0.884,111 0.89,112 3.561,113 1.048,114 -4.35,115 -4.28,116 -4.04,119 41.8,120 2,125 2,138 9,139 4,143 1,148 1,149 2,150 1,151 1,159 1,163 11,165 1,166 7,169 4,171 3,172 15,176 13,179 1,181 5,183 8,186 2,187 13,192 5,194 4,197 4,198 14,201 1,203 5,205 11,209 10,212 1,214 2,217 14,220 2,221 10,224 1,226 2,227 16,230 1,231 10,236 3,238 15,241 1,242 8,246 1,247 2,249 12,252 2144,253 22.195,254 22.195,255 22.195,256 22.195,257 22.195,258 19.069,259 25.513,260 12.882,261 22.802,262 18.288,263 18.288,264 18.288,265 18.288,266 18.288,267 13.405,268 33.045,269 6.15,270 19.399,271 3.896,272 1.86,273 1.092,274 0.391,275 0.318,276 0.282,277 4.248,280 1,283 1,284 881,285 4.528,287 168.216,288 203.335,291 143.89,295 1.779,296 50.169,299 0.75,300 0.83,301 0.83,302 0.5,304 0.67,305 1,306 0.65,307 74.333,308 416,309 4.884,310 4.689,311 7.323,312 4.361,313 3.436,314 4.776,315 1.909,316 12.622,317 3.255,318 4.704,319 3.606,320 6.979,321 4.197,322 3.25,323 4.644,324 1.277,325 11.822,326 2.992,327 4.095,328 3.52,329 6.01,330 3.728,331 2.734,332 3.685,333 0.561,334 8.505,335 2.715,336 3.916,337 3.22,338 5.609,339 3.542,340 2.544,341 3.425,342 0.522,343 7.656,344 2.531,345 3.859,346 2.902,347 5.455,348 3.266,349 2.419,350 3.369,352 6.904,353 2.235,354 3.562,355 2.875,356 5.213,357 3.229,358 2.242,359 2.77,361 6.332,362 2.045,363 3.42,364 2.503,365 5.032,366 3.032,367 2.049,368 2.726,370 5.926,371 1.969,372 3.318,373 2.146,374 4.726,375 2.888,376 1.924,377 2.565,379 5.029,380 1.82,381 3.077,382 2.029,383 4.582,384 2.633,385 1.624,386 2.244,388 4.602,389 1.63,390 2.795,391 1.613,392 4.439,393 2.245,394 1.354,395 1.885,397 3.878,398 1.231,399 2.703,400 1.411,401 3.793,402 2.214,403 1.23,404 1.784,406 2.915,407 1.179,408 2.658,409 1.232,410 3.724,411 2.15,412 1.178,413 1.729,415 2.674,416 1.064,417 2.42,418 1.198,419 3.495,420 1.952,421 0.949,422 1.329,424 2.42,425 0.939,426 2.179,427 1.056,428 3.281,429 1.559,430 0.685,431 1.018,433 1.669,434 0.577,435 1.778,436 0.804,437 3.106,438 1.516,439 0.547,440 0.632,442 1.218,443 0.526,444 16.814,445 0.495,446 1.122,447 0.033,448 45.75,449 1.346,450 24.5,451 0.721,452 21.25,453 0.625,454 30.662,455 0.902,456 35.986,457 0.654,458 39.133,459 1.151,460 8.886,461 0.261,462 7.25,463 0.213,464 0.181,465 0.05,466 0.321,472 0.528,473 1.146,474 0.684,475 1.002,476 0.6,477 0.837,478 0.561,479 1.039,480 0.589,481 0.792,482 0.52,483 0.816,484 1.132,485 1.203,486 0.985,487 1.084,488 1.131,489 1.03,490 0.963,491 1.24,492 0.733,493 0.934,494 0.906,495 0.973,496 0.746,497 1.01,498 0.658,499 0.815,500 0.774,501 0.887,502 0.992,503 0.92,504 0.92,505 0.936,506 0.892,507 0.9,508 1.063,509 0.846,510 0.876,511 0.866,512 1.104,513 0.889,514 1.009,515 1.067,516 1.067,517 1.133,518 1.09,519 1.12,520 9,521 0.299,522 4,523 3.104,524 2.166,525 1.685,526 1.056,527 0.708,528 0.551,529 0.408,530 15287,531 54105,532 2.018,533 38.2,535 13,538 2,539 6,542 1.766,543 1.846,544 3.539,545 0.264,550 103.694,551 1.885,552 3.922,553 4.69,554 5.39,555 5.463,556 5.499,557 3.032,558 4.653,559 5.053,560 3.723,561 2088.41,562 8.9,563 31327.7,568 317.975,569 1.667,570 4.989,571 0.243,572 0.009,573 0.074,574 0.059,575 0.039,576 0.03,577 0.02,578 0.013,579 0.011,580 0.01,581 0.508,582 0.17,583 0.88,584 1.159,585 180.519,586 0.059,587 -0.013,588 0.112,589 -0.018,590 -0.106,591 0.037,592 0.211,593 0.047,594 0.234,595 0.153,596 0.183,597 0.085,598 -0.161,599 -0.152,600 -0.085,601 -0.117,602 -0.157,603 -0.115,604 -0.048,605 -0.204,606 0.043,607 -0.064,608 -0.025,609 -0.056,610 0.194,611 0.023,612 0.135,613 0.034,614 0.1,615 0.034,616 -0.124,617 0.131,618 -0.026,619 0.037,620 -0.067,621 0.062,622 -0.014,623 0.132,624 -0.004,625 0.104,626 0.053,627 0.076,628 -0.084,629 -0.096,630 -0.101,631 -0.094,632 -0.104,633 -0.122,634 4.868,635 5.951,636 0.588,637 36.481,638 1.021,639 1.115,640 3.118,641 9.723,642 0.724,643 3.638,644 4.007,645 4.248,646 4.554,647 4.779,648 4.905,649 5.081,650 5.215,651 5.352,652 5.464,653 7.174,654 0.689,655 517.07,656 3.638,657 5.209,658 6.061,659 6.967,660 7.847,661 8.759,662 9.653,663 10.568,664 11.472,665 12.39,666 7.3,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,690 1,702 1,703 55,705 25,706 2,707 37,709 58,710 23,711 17,712 5,713 7,714 1,717 4,718 5,719 1,721 2,729 19,730 4,733 4,736 1,737 4,741 2,747 21,748 7,749 2,750 11,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 34,808 1,810 2,811 2,820 1,824 1,825 7.3,828 4,832 18.417,833 10.543,834 7.264,835 3.053,836 3.753,837 1.47,838 1.005,839 7.194,840 11.741,841 3.961,842 4.635,843 5.186,844 5.822,845 6.325,846 6.687,847 7.12,848 7.535,849 7.903,850 8.293,851 1,852 53,853 12.906,854 5.898,855 8.045,856 23.495,857 19.49,859 2.545,860 86.528,864 223.651,865 172.346,866 52.855,867 39.149,868 94.603,870 37.085,871 135.261,872 357.402,873 52.855,874 17.65,875 22.222,876 91.094,877 137.509,878 15.58,879 43.621,880 254.929,882 223.651,883 188.117,884 94.603,885 76.234,887 223.651,888 94.603,891 43.323,892 111.726,893 38.875,894 70.426,895 223.651,896 147.458,897 211.495,899 5.807,900 223.651,901 63.602,902 104.713,903 34.416,904 150.414,905 223.651,906 147.458,907 211.495,909 0.593,910 0.329,911 0.177,912 0.103,913 26,914 13,915 0.138,916 8,917 1,918 1.1,919 4.285,920 326.442,921 0.1,922 20,923 170.974,924 1,927 1,928 24.55,929 9.963,930 5.579,931 1.039,932 145.682,933 15.728,934 4.525,937 0.931,938 2.652,939 1.651,940 34.416,941 582.604,942 51.5,945 -3.951,946 49.459,950 -0.328,952 56.145,953 61.352,954 0.326,955 0.678,956 0.811,957 0.932,958 0.945,959 0.951,960 5.216,961 1.924,962 6.098,963 5.926,964 4.691,965 5.323,966 2.434,967 6.969,968 4.592,969 6.481,970 1.624,971 7.7,972 5.029,973 4.511,974 5.447,975 1.593,976 8.152,977 4.344,978 7.842,979 1.354,980 9.412,981 4.602,982 6.378,983 7.674,984 3.18,985 11.223,986 6.179,987 9.243,988 1.23,989 11.192,990 3.878,991 6.986,992 8.61,993 3.032,994 13.25,995 6.707,996 10.679,997 1.178,998 13.018,999 2.915,1000 8.401,1001 10.383,1002 4.188,1003 15.922,1004 8.087,1005 12.141,1006 0.949,1007 14.878,1008 2.674,1009 9.351,1010 11.671,1011 4.414,1012 18.263,1013 8.955,1014 13.624,1015 0.685,1016 16.763,1017 2.42,1018 10.616,1019 13.291,1020 5.33,1021 20.822,1022 10.175,1023 3.436,1024 0.547,1025 18.667,1026 1.669,1027 11.714,1028 14.73,1029 5.757,1030 23.275,1031 11.197,1032 3.25,1033 12.622,1034 20.587,1035 1.218,1036 12.933,1037 16.299,1038 6.545,1039 25.802,1040 12.362,1041 2.734,1042 11.822,1043 22.519,1044 4.776,1045 14.095,1046 17.801,1047 7.078,1048 28.294,1049 13.454,1050 2.544,1051 8.505,1052 24.46,1053 4.644,1054 15.304,1055 19.355,1056 7.798,1057 30.813,1058 14.604,1059 2.419,1060 7.656,1061 26.409,1062 3.685,1063 16.495,1064 20.885,1065 8.386,1066 33.32,1067 15.729,1068 2.242,1069 6.904,1070 28.363,1071 3.425,1072 17.703,1073 22.435,1074 9.071,1075 35.838,1076 16.879,1077 2.049,1078 6.332,1079 30.323,1080 3.369,1081 18.908,1082 23.977,1083 9.687,1084 38.352,1085 18.021,1086 14913,1087 28342,1088 23.868,1089 39.847,1090 56.979,1091 58.556,1092 58.068,1093 56.399,1094 56.324,1095 77.161,1096 8.539,1097 168.347,1098 53.416,1099 5.734,1100 6.689,1101 6.879,1102 5.532,1103 5.436,1104 7.776,1105 3.31,1106 20.192,1107 5.255,1108 20.818,1109 1.54,1110 1.583,1111 1.569,1112 1.524,1113 1.522,1114 2.085,1115 0.231,1116 4.55,1117 1.444,1118 4.177,1119 4.201,1120 4.794,1121 4.135,1122 7.717,1123 4.078,1124 4.002,1125 3.969,1126 4.169,1127 4.002,1128 7.431,1129 3.931,1130 3.919,1131 3.943,1132 4.088,1133 3.862,1134 7.427,1135 3.856,1136 3.606,1137 3.656,1138 3.855,1139 3.532,1140 6.999,1141 3.437,1142 3.568,1143 3.585,1144 3.513,1145 3.374,1146 5.004,1147 3.39,1148 3.498,1149 3.507,1150 3.442,1151 3.305,1152 4.885,1153 3.319,1154 3.308,1155 3.365,1156 3.201,1157 3.148,1158 4.713,1159 3.145,1160 3.147,1161 3.217,1162 3.162,1163 3.004,1164 4.365,1165 2.993,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.884,1172 0.129,1173 4.689,1174 0.052,1175 7.323,1176 0.341,1177 4.361,1178 0.088,1179 3.436,1180 4.776,1181 1.909,1182 12.622,1183 3.255,1184 1.981,1185 1.962,1186 2.073,1187 2.073,1188 1.254,1189 2.074,1190 1.921,1191 1.899,1192 2.013,1193 2.004,1194 1.173,1195 2.014,1196 1.731,1197 1.783,1198 1.75,1199 1.847,1200 0.946,1201 1.886,1202 1.524,1203 1.467,1204 1.674,1205 1.77,1206 0.861,1207 1.768,1208 1.444,1209 1.405,1210 1.615,1211 1.67,1212 0.72,1213 1.667,1214 1.407,1215 1.387,1216 1.562,1217 1.547,1218 0.674,1219 1.56,1220 1.302,1221 1.243,1222 1.431,1223 1.468,1224 0.606,1225 1.508,1226 1.151,1227 1.106,1228 1.334,1229 1.359,1230 0.543,1231 1.392,1232 4.317,1233 5.673,1234 3.045,1235 7.201,1236 5.416,1237 8.814,1238 7.535,1239 10.479,1241 2.883,1242 5.917,1247 0.726,1248 5.294,1257 37.888,1258 103.694,1259 215.697,1260 257.936,1261 296.465,1262 300.465,1263 302.465,1264 88.448,1265 7.988,1266 110.16,1267 146.78,1268 22,1269 12.903,1270 4.7,1271 3.954,1272 56.576,1273 144,1274 168,1275 0.191,1276 243.376,1277 415.77,1278 585.598,1279 32192,1280 1.8,1281 24.457,1282 0.719,1283 0.609,1284 25.561,1285 20.721,1286 16.136,1287 0.436,1288 0.349,1289 10.349,1290 14.249,1291 9.804,1292 8.126,1293 17.654,1294 12.925,1295 15.749,1296 0.292,1297 0.209,1298 18.324,1299 11.28,1300 11.943,1301 0.173,1302 0.118,1303 14.334,1304 8.129,1305 10.165,1306 0.108,1307 0.065,1308 12.364,1309 6.063,1310 8.3,1311 0.07,1312 0.038,1313 10.699,1314 4.45,1315 0.297,1316 116.257,1317 0.205,1318 31.118,1319 0.537,1320 182,1321 600.822,1322 288.713,1323 651.025,1324 862.78,1325 598,1326 214,1327 560.838,1328 308.656,1329 629.152,1330 918.23,1331 588,1332 7}
{0 CHEMBL2326613,1 1.867,2 12.235,3 3.908,4 15.274,5 136.676,6 9.107,7 0.568,8 4.156,9 4.247,10 4.029,11 3.785,12 5.279,13 3.729,14 4.682,15 4.815,16 4.461,17 4.19,18 6.011,19 4.11,20 4.905,21 5.064,22 4.423,23 4.262,24 6.101,25 4.183,26 4.979,27 5.163,28 4.428,29 4.267,30 6.179,31 4.194,32 5.014,33 5.207,34 4.489,35 4.281,36 6.288,37 4.211,38 5.01,39 5.206,40 4.41,41 4.325,42 6.135,43 4.228,44 5.038,45 5.217,46 4.427,47 4.341,48 6.362,49 4.244,50 4.993,51 5.163,52 4.361,53 4.327,54 6.19,55 4.197,56 0.178,57 0.864,58 11.352,59 5.617,60 24.694,61 5.917,62 0.503,63 1.383,64 26.68,65 10.169,66 62.908,67 10.699,68 0.607,69 1.658,70 32.852,71 12.055,72 75.214,73 12.822,74 0.632,75 1.768,76 35.976,77 12.494,78 79.029,79 14.233,80 0.922,81 1.818,82 33.872,83 12.104,84 90.567,85 14.287,86 0.686,87 1.854,88 39.96,89 13.679,90 80.219,91 14.93,92 0.95,93 1.77,94 40.07,95 14.703,96 150.471,97 15.675,98 0.715,99 1.703,100 39.777,101 15.016,102 93.778,103 15.86,104 56,105 54,106 0.301,107 0.641,108 0.78,109 0.872,110 0.891,111 0.897,112 3.561,113 1.062,114 -4.15,115 -4.09,116 -3.87,119 40.4,120 2,125 2,127 1,138 9,139 4,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 5,169 4,171 5,172 15,176 11,179 1,181 7,183 8,186 2,187 12,192 6,194 4,197 2,198 13,201 2,202 1,203 6,205 11,209 10,212 1,214 2,217 14,221 9,224 3,226 3,227 16,230 1,231 6,236 7,238 15,241 1,242 5,246 1,247 5,249 12,252 2144,253 22.195,254 22.195,255 22.195,256 22.195,257 22.195,258 19.238,259 28.607,260 12.882,261 22.898,262 18.288,263 18.288,264 18.288,265 18.288,266 18.288,267 13.641,268 40.361,269 6.15,270 19.548,271 3.966,272 1.857,273 0.996,274 0.426,275 0.307,276 0.272,277 4.248,280 1,283 1,284 881,285 4.528,287 168.216,288 203.335,291 143.89,295 1.779,296 48.509,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.67,305 1,306 0.75,307 74.333,308 416,309 4.883,310 4.689,311 7.323,312 4.359,313 3.436,314 4.771,315 1.909,316 12.622,317 3.238,318 4.697,319 3.52,320 6.979,321 4.193,322 3.25,323 4.637,324 0.765,325 11.822,326 2.986,327 4.089,328 3.421,329 6.01,330 3.722,331 2.734,332 3.681,333 0.561,334 8.505,335 2.704,336 3.861,337 2.992,338 5.609,339 3.511,340 2.544,341 3.424,342 0.522,343 7.656,344 2.451,345 3.834,346 2.898,347 5.455,348 3.263,349 2.419,350 3.243,352 6.904,353 2.227,354 3.557,355 2.797,356 5.213,357 3.227,358 2.242,359 2.755,361 6.332,362 2.034,363 3.404,364 2.452,365 5.032,366 3.023,367 2.049,368 2.726,370 5.926,371 1.964,372 3.308,373 2.145,374 4.726,375 2.888,376 1.924,377 2.546,379 5.029,380 1.82,381 2.929,382 1.814,383 4.582,384 2.591,385 1.624,386 2.037,388 4.602,389 1.563,390 2.795,391 1.613,392 4.439,393 2.243,394 1.354,395 1.884,397 3.878,398 1.223,399 2.684,400 1.357,401 3.793,402 2.208,403 1.23,404 1.758,406 2.915,407 1.178,408 2.658,409 1.22,410 3.724,411 2.147,412 1.178,413 1.729,415 2.674,416 1.056,417 2.255,418 1.12,419 3.495,420 1.908,421 0.949,422 1.195,424 2.42,425 0.901,426 2.179,427 1.056,428 3.281,429 1.559,430 0.685,431 1.017,433 1.669,434 0.577,435 1.778,436 0.801,437 3.106,438 1.516,439 0.547,440 0.632,442 1.218,443 0.526,444 16.814,445 0.495,446 1.122,447 0.033,448 44.25,449 1.301,450 23,451 0.676,452 21.25,453 0.625,454 32.215,455 0.947,456 36.586,457 0.642,458 37.581,459 1.105,460 8.484,461 0.25,462 7.652,463 0.225,464 0.181,465 0.05,466 0.321,472 0.625,473 1.151,474 0.704,475 0.998,476 0.709,477 0.847,478 0.614,479 1.06,480 0.609,481 0.809,482 0.565,483 0.844,484 1.085,485 1.194,486 0.951,487 1.068,488 1.077,489 1.019,490 0.922,491 1.235,492 0.717,493 0.933,494 0.874,495 0.974,496 0.757,497 1.011,498 0.668,499 0.815,500 0.74,501 0.899,502 0.995,503 0.925,504 0.951,505 0.953,506 0.873,507 0.906,508 1.101,509 0.854,510 0.907,511 0.887,512 1.183,513 0.895,514 1.053,515 1.085,516 1.098,517 1.158,518 1.177,519 1.137,520 9,521 0.299,522 4,523 3.104,524 2.166,525 1.685,526 1.056,527 0.708,528 0.551,529 0.408,530 15287,531 52426,532 2.018,533 40.4,535 14,538 3,539 3,540 3,542 1.766,543 1.846,544 3.539,545 0.899,550 106.391,551 1.867,552 3.976,553 4.837,554 5.407,555 5.526,556 5.561,557 3.032,558 4.653,559 5.053,560 3.723,561 2088.41,562 8.9,563 31327.7,568 332.475,569 1.667,570 4.989,571 0.243,572 0.009,573 0.074,574 0.059,575 0.039,576 0.03,577 0.02,578 0.013,579 0.011,580 0.01,581 0.508,582 0.33,583 0.88,584 1.159,585 180.519,586 0.028,587 0.007,588 0.109,589 0.011,590 -0.148,591 0.053,592 0.192,593 0.039,594 0.217,595 0.146,596 0.183,597 0.069,598 -0.13,599 -0.146,600 -0.052,601 -0.098,602 -0.133,603 -0.085,604 -0.026,605 -0.205,606 0.057,607 -0.061,608 -0.01,609 -0.046,610 0.178,611 0.03,612 0.118,613 0.027,614 0.104,615 0.017,616 -0.128,617 0.141,618 -0.04,619 0.032,620 -0.063,621 0.056,622 -0.026,623 0.126,624 -0.015,625 0.098,626 0.02,627 0.073,628 -0.1,629 -0.105,630 -0.123,631 -0.106,632 -0.126,633 -0.14,634 4.838,635 5.973,636 0.588,637 36.481,638 1.018,639 1.119,640 2.92,641 8.528,642 0.712,643 3.638,644 4.007,645 4.248,646 4.554,647 4.779,648 4.905,649 5.081,650 5.215,651 5.352,652 5.464,653 7.174,654 0.674,655 519.09,656 3.638,657 5.209,658 6.061,659 6.967,660 7.847,661 8.759,662 9.653,663 10.568,664 11.472,665 12.39,666 7,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 1,703 57,705 24,706 2,707 37,709 60,710 23,711 17,712 5,713 7,717 4,718 5,719 1,721 2,727 1,729 18,730 5,733 3,736 1,737 3,741 1,747 23,748 7,749 3,750 11,751 3,755 4,760 0.75,761 4,763 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 2,802 1,805 34,808 1,809 1,810 2,811 2,814 1,820 1,824 1,825 7,826 1,828 3,832 18.417,833 10.66,834 7.264,835 3.183,836 3.71,837 1.465,838 0.977,839 7.404,840 11.698,841 3.942,842 4.615,843 5.169,844 5.802,845 6.297,846 6.654,847 7.073,848 7.496,849 7.859,850 8.231,851 1,852 53,853 12.906,854 5.89,855 8.006,856 23.616,857 19.686,859 2.506,860 85.194,864 235.422,865 167.213,866 52.855,867 39.149,868 112.141,870 37.085,871 130.128,872 386.712,873 52.855,874 17.65,875 22.222,876 133.777,877 107.231,878 15.58,879 43.621,880 266.7,882 235.422,883 182.983,884 112.141,885 76.234,887 200.109,888 104.771,889 42.683,891 43.323,892 106.593,893 38.875,894 70.426,895 235.422,896 164.997,897 206.362,899 5.807,900 235.422,901 58.469,902 104.713,903 34.416,904 167.953,905 235.422,906 164.997,907 206.362,909 0.593,910 0.329,911 0.177,912 0.103,913 26,914 13,915 0.133,916 8,917 1,918 1.1,919 4.285,920 326.442,921 0.1,922 20,923 168.974,924 1,927 1,928 24.827,929 10.14,930 5.696,931 1.2,932 163.22,933 16.022,934 4.566,937 0.949,938 2.981,939 1.692,940 77.099,941 606.78,942 50.5,945 -3.922,946 37.185,950 -0.113,952 58.029,953 63.767,954 0.32,955 0.682,956 0.829,957 0.927,958 0.947,959 0.953,960 5.2,961 1.924,962 6.098,963 5.926,964 4.691,965 5.303,966 2.231,967 6.969,968 4.576,969 6.461,970 1.624,971 7.7,972 5.029,973 4.511,974 5.421,975 1.593,976 8.152,977 4.312,978 7.82,979 1.354,980 9.412,981 4.602,982 6.378,983 7.653,984 2.965,985 11.223,986 6.152,987 9.221,988 1.23,989 11.192,990 3.878,991 6.986,992 8.587,993 3.032,994 13.25,995 6.667,996 10.656,997 1.178,998 13.018,999 2.915,1000 8.401,1001 10.364,1002 4.053,1003 15.922,1004 8.05,1005 12.119,1006 0.949,1007 14.878,1008 2.674,1009 9.351,1010 11.652,1011 4.414,1012 18.263,1013 8.91,1014 13.602,1015 0.685,1016 16.763,1017 2.42,1018 10.616,1019 13.274,1020 5.26,1021 20.822,1022 10.129,1023 3.436,1024 0.547,1025 18.667,1026 1.669,1027 11.714,1028 14.712,1029 5.757,1030 23.275,1031 11.145,1032 3.25,1033 12.622,1034 20.587,1035 1.218,1036 12.933,1037 16.282,1038 6.511,1039 25.802,1040 12.308,1041 2.734,1042 11.822,1043 22.519,1044 4.771,1045 14.095,1046 17.784,1047 7.078,1048 28.294,1049 13.395,1050 2.544,1051 8.505,1052 24.46,1053 4.637,1054 15.304,1055 19.338,1056 7.782,1057 30.813,1058 14.543,1059 2.419,1060 7.656,1061 26.409,1062 3.681,1063 16.495,1064 20.867,1065 8.386,1066 33.32,1067 15.663,1068 2.242,1069 6.904,1070 28.363,1071 3.424,1072 17.703,1073 22.417,1074 9.064,1075 35.838,1076 16.809,1077 2.049,1078 6.332,1079 30.323,1080 3.243,1081 18.908,1082 23.958,1083 9.687,1084 38.352,1085 17.946,1086 14913,1087 27900,1088 23.868,1089 40.608,1090 56.873,1091 58.033,1092 58.068,1093 56.422,1094 56.324,1095 76.074,1096 7.513,1097 168.347,1098 52.897,1099 5.733,1100 6.689,1101 6.879,1102 5.53,1103 5.436,1104 7.771,1105 3.31,1106 20.192,1107 5.238,1108 20.818,1109 1.537,1110 1.568,1111 1.569,1112 1.525,1113 1.522,1114 2.056,1115 0.203,1116 4.55,1117 1.43,1118 4.177,1119 4.202,1120 4.794,1121 4.136,1122 7.717,1123 4.078,1124 4.002,1125 3.969,1126 4.168,1127 4.002,1128 7.43,1129 3.931,1130 3.918,1131 3.944,1132 4.086,1133 3.862,1134 6.999,1135 3.856,1136 3.606,1137 3.659,1138 3.853,1139 3.532,1140 6.451,1141 3.436,1142 3.568,1143 3.593,1144 3.507,1145 3.375,1146 5.005,1147 3.389,1148 3.499,1149 3.512,1150 3.418,1151 3.308,1152 4.885,1153 3.314,1154 3.31,1155 3.371,1156 3.188,1157 3.15,1158 4.713,1159 3.144,1160 3.147,1161 3.217,1162 3.158,1163 3.004,1164 4.369,1165 2.993,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.883,1172 0.129,1173 4.689,1174 0.052,1175 7.323,1176 0.341,1177 4.359,1178 0.088,1179 3.436,1180 4.771,1181 1.909,1182 12.622,1183 3.238,1184 1.983,1185 1.962,1186 2.077,1187 2.075,1188 1.273,1189 2.077,1190 1.922,1191 1.899,1192 2.024,1193 2.007,1194 1.2,1195 2.018,1196 1.731,1197 1.783,1198 1.753,1199 1.847,1200 0.947,1201 1.887,1202 1.526,1203 1.468,1204 1.71,1205 1.772,1206 0.893,1207 1.771,1208 1.455,1209 1.406,1210 1.616,1211 1.686,1212 0.792,1213 1.69,1214 1.41,1215 1.394,1216 1.564,1217 1.559,1218 0.695,1219 1.569,1220 1.312,1221 1.249,1222 1.431,1223 1.469,1224 0.606,1225 1.509,1226 1.151,1227 1.106,1228 1.335,1229 1.359,1230 0.543,1231 1.392,1232 4.317,1233 5.673,1234 3.045,1235 7.201,1236 5.416,1237 8.814,1238 7.535,1239 10.479,1241 3.084,1242 5.928,1246 10.34,1247 0.768,1248 5.345,1251 -0.832,1257 38.414,1258 106.391,1259 226.607,1260 275.681,1261 308.21,1262 314.965,1263 316.965,1264 87.329,1265 7.988,1266 113.32,1267 149.94,1268 22,1269 12.903,1270 4.644,1271 3.858,1272 56.576,1273 144,1274 168,1275 0.191,1276 246.304,1277 418.41,1278 592.741,1279 32192,1280 1.8,1281 24.457,1282 0.719,1283 0.613,1284 25.561,1285 20.837,1286 16.136,1287 0.436,1288 0.354,1289 10.516,1290 14.249,1291 9.98,1292 8.264,1293 17.654,1294 13.095,1295 15.749,1296 0.292,1297 0.212,1298 18.324,1299 11.442,1300 11.943,1301 0.173,1302 0.119,1303 14.334,1304 8.232,1305 10.165,1306 0.108,1307 0.065,1308 12.364,1309 6.145,1310 8.3,1311 0.07,1312 0.038,1313 10.699,1314 4.515,1315 0.297,1316 116.257,1317 0.205,1318 31.118,1319 0.537,1320 182,1321 579.236,1322 288.713,1323 630.716,1324 838.62,1325 580,1326 214,1327 545.474,1328 308.656,1329 613.51,1330 897.95,1331 574,1332 7.7}
{0 CHEMBL2326614,1 1.838,2 12.257,3 4.113,4 16.918,5 141.314,6 8.885,7 0.553,8 4.2,9 4.295,10 4.05,11 3.824,12 5.311,13 3.765,14 4.733,15 4.873,16 4.499,17 4.236,18 6.049,19 4.158,20 4.975,21 5.127,22 4.458,23 4.33,24 6.179,25 4.248,26 5.086,27 5.291,28 4.468,29 4.349,30 6.236,31 4.264,32 5.087,33 5.28,34 4.543,35 4.359,36 6.341,37 4.285,38 5.109,39 5.315,40 4.466,41 4.4,42 6.206,43 4.296,44 5.111,45 5.291,46 4.49,47 4.418,48 6.416,49 4.314,50 5.113,51 5.292,52 4.44,53 4.416,54 6.315,55 4.286,56 0.171,57 0.904,58 12.54,59 5.973,60 24.464,61 6.503,62 0.485,63 1.451,64 28.999,65 10.83,66 63.36,67 11.771,68 0.63,69 1.763,70 34.694,71 12.8,72 81.535,73 13.778,74 0.658,75 1.935,76 42.306,77 14.256,78 85.902,79 17.062,80 0.89,81 1.955,82 36.711,83 13.208,84 91.4,85 16.096,86 0.749,87 2.056,88 43.451,89 14.411,90 84.639,91 16.236,92 0.913,93 1.917,94 46.317,95 16.447,96 146.478,97 17.752,98 0.846,99 1.876,100 45.357,101 16.64,102 123.928,103 17.854,104 71,105 57,106 0.294,107 0.63,108 0.759,109 0.845,110 0.863,111 0.869,112 3.589,113 1.061,114 -4.36,115 -4.29,116 -4.05,119 40,120 3,125 2,129 1,138 9,139 4,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 5,169 4,171 6,172 17,176 11,179 1,181 7,183 10,186 2,187 12,192 6,194 5,197 2,198 15,201 2,202 1,203 7,205 12,209 10,212 1,214 2,217 14,221 11,224 3,226 3,227 17,230 1,231 6,236 7,238 19,241 1,242 5,246 1,247 5,249 15,252 2289,253 22.46,254 22.46,255 22.46,256 22.46,257 22.46,258 19.517,259 29.413,260 12.896,261 23.161,262 18.799,263 18.799,264 18.799,265 18.799,266 18.799,267 14.18,268 42.856,269 6.183,270 20.071,271 4.069,272 1.965,273 1.159,274 0.617,275 0.504,276 0.471,277 4.273,280 1,283 1,284 906,285 4.848,287 173.371,288 209.892,291 148.63,295 1.75,296 49.952,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.67,305 1,306 0.75,307 76.333,308 429,309 4.891,310 4.689,311 7.378,312 4.455,313 3.493,314 4.779,315 1.909,316 12.944,317 3.376,318 4.752,319 3.765,320 7.295,321 4.278,322 3.37,323 4.649,324 0.765,325 12.46,326 3.034,327 4.243,328 3.52,329 6.639,330 3.968,331 3.016,332 3.691,333 0.561,334 10.464,335 2.859,336 4.058,337 3.203,338 5.721,339 3.682,340 2.69,341 3.501,342 0.522,343 7.93,344 2.666,345 3.859,346 2.901,347 5.515,348 3.281,349 2.419,350 3.423,352 7.121,353 2.25,354 3.573,355 2.868,356 5.286,357 3.236,358 2.276,359 2.793,361 6.632,362 2.076,363 3.455,364 2.489,365 5.047,366 3.082,367 2.098,368 2.727,370 5.926,371 1.978,372 3.335,373 2.146,374 4.915,375 2.889,376 1.931,377 2.602,379 5.466,380 1.824,381 3.185,382 1.947,383 4.593,384 2.788,385 1.806,386 2.403,388 4.976,389 1.764,390 2.796,391 1.613,392 4.439,393 2.255,394 1.355,395 1.885,397 3.881,398 1.25,399 2.709,400 1.385,401 4.331,402 2.228,403 1.26,404 1.799,406 3.539,407 1.179,408 2.658,409 1.224,410 3.731,411 2.156,412 1.178,413 1.729,415 2.761,416 1.092,417 2.45,418 1.171,419 3.497,420 2.027,421 1.058,422 1.428,424 2.606,425 0.996,426 2.179,427 1.056,428 3.283,429 1.559,430 0.685,431 1.018,433 1.67,434 0.577,435 1.778,436 0.803,437 3.139,438 1.516,439 0.547,440 0.632,442 1.219,443 0.526,444 17.314,445 0.495,446 1.321,447 0.038,448 44.75,449 1.279,450 23,451 0.657,452 21.75,453 0.621,454 35.513,455 1.015,456 37.886,457 0.631,458 38.795,459 1.108,460 8.442,461 0.241,462 7.994,463 0.228,464 0.205,465 0.077,466 0.283,472 0.621,473 1.162,474 0.711,475 1.009,476 0.718,477 0.867,478 0.585,479 1.045,480 0.578,481 0.797,482 0.532,483 0.806,484 1.199,485 1.227,486 0.994,487 1.1,488 1.189,489 1.086,490 0.85,491 1.149,492 0.669,493 0.874,494 0.811,495 0.91,496 0.714,497 1.099,498 0.656,499 0.858,500 0.709,501 0.933,502 1.05,503 0.887,504 0.945,505 0.894,506 0.867,507 0.902,508 1.05,509 0.912,510 0.988,511 0.999,512 1.108,513 0.918,514 1.207,515 0.988,516 1.045,517 1.037,518 1.405,519 1.051,520 10.5,521 0.328,522 4.444,523 3.479,524 2.418,525 1.883,526 1.219,527 0.833,528 0.643,529 0.503,530 16184,531 54115,532 1.994,533 41.7,535 13,538 3,539 3,540 6,542 1.774,543 1.81,544 3.521,545 0.877,550 110.278,551 1.838,552 3.942,553 4.748,554 5.29,555 5.402,556 5.436,557 3.008,558 4.672,559 5.095,560 3.72,561 2213.52,562 8.988,563 33723.8,568 354.413,569 1.763,570 5.017,571 0.276,572 0.009,573 0.078,574 0.063,575 0.042,576 0.031,577 0.022,578 0.014,579 0.012,580 0.011,581 0.559,582 0.17,583 0.88,584 1.162,585 187.044,586 0.034,587 0.006,588 0.111,589 0.011,590 -0.155,591 0.05,592 0.22,593 0.058,594 0.254,595 0.166,596 0.217,597 0.122,598 -0.175,599 -0.173,600 -0.111,601 -0.136,602 -0.177,603 -0.164,604 0.013,605 -0.141,606 0.112,607 0.003,608 0.015,609 0.042,610 0.199,611 -0.059,612 0.118,613 -0.015,614 0.113,615 -0.013,616 -0.165,617 0.206,618 -0.049,619 0.063,620 -0.081,621 0.04,622 0.004,623 0.088,624 -0.033,625 0.042,626 0.07,627 0.064,628 -0.146,629 -0.021,630 -0.085,631 -0.003,632 -0.177,633 -0.062,634 4.858,635 6.053,636 0.571,637 37.771,638 1.015,639 1.12,640 3.128,641 9.784,642 0.706,643 3.664,644 4.06,645 4.277,646 4.585,647 4.82,648 4.949,649 5.142,650 5.268,651 5.407,652 5.537,653 7.195,654 0.666,655 533.12,656 3.664,657 5.252,658 6.103,659 7.02,660 7.901,661 8.822,662 9.718,663 10.641,664 11.548,665 12.473,666 6.7,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 1,703 60,705 24,706 2,707 38,709 63,710 24,711 17,712 5,713 7,717 4,718 5,719 1,721 3,729 18,730 6,731 1,733 3,736 1,737 3,741 1,747 25,748 7,749 3,750 11,751 3,755 4,760 0.75,761 4,764 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 3,802 1,805 35,808 1,809 1,810 2,811 2,816 1,820 1,824 1,825 6.7,826 1,828 3,832 19.333,833 11.576,834 7.319,835 3.312,836 3.694,837 1.459,838 0.964,839 7.366,840 11.741,841 3.961,842 4.644,843 5.186,844 5.822,845 6.325,846 6.687,847 7.12,848 7.535,849 7.903,850 8.293,851 1,852 55,853 13.301,854 6.098,855 7.989,856 24.352,857 20.372,859 2.489,860 87.111,864 258.964,865 176.038,866 52.855,867 39.149,868 112.141,870 37.085,871 138.953,872 410.254,873 52.855,874 26.476,875 22.222,876 133.777,877 107.231,878 15.58,879 43.621,880 290.242,882 258.964,883 191.808,884 112.141,885 76.234,887 188.338,888 140.084,889 42.683,891 52.148,892 106.593,893 38.875,894 70.426,895 258.964,896 164.997,897 215.187,899 5.807,900 258.964,901 58.469,902 113.538,903 34.416,904 167.953,905 258.964,906 164.997,907 215.187,909 0.602,910 0.325,911 0.172,912 0.101,913 28,914 14,915 0.127,916 8,917 1,918 1.1,919 4.303,920 342.953,921 0.1,922 20,923 175.525,924 1,927 1,928 25.797,929 9.994,930 5.931,931 1.18,932 163.22,933 16.047,934 4.597,937 0.948,938 2.945,939 1.696,940 77.099,941 639.148,942 51.5,945 -3.942,946 37.371,950 -0.114,952 60.913,953 67.182,954 0.311,955 0.667,956 0.804,957 0.896,958 0.915,959 0.92,960 5.238,961 1.931,962 6.172,963 5.926,964 4.745,965 5.333,966 2.231,967 7.074,968 4.632,969 6.517,970 1.806,971 7.799,972 5.466,973 4.691,974 5.497,975 1.593,976 8.393,977 4.502,978 7.891,979 1.355,980 9.54,981 4.976,982 6.497,983 7.689,984 2.965,985 11.433,986 6.277,987 9.304,988 1.26,989 11.353,990 3.881,991 7.201,992 8.64,993 3.032,994 13.541,995 6.903,996 10.749,997 1.178,998 13.211,999 3.539,1000 8.594,1001 10.401,1002 4.053,1003 16.219,1004 8.262,1005 12.219,1006 1.058,1007 15.101,1008 2.761,1009 9.606,1010 11.693,1011 4.414,1012 18.603,1013 9.203,1014 13.709,1015 0.685,1016 17.015,1017 2.606,1018 10.872,1019 13.309,1020 5.26,1021 21.18,1022 10.428,1023 3.493,1024 0.547,1025 18.946,1026 1.67,1027 12.008,1028 14.748,1029 5.757,1030 23.661,1031 11.503,1032 3.37,1033 12.944,1034 20.889,1035 1.219,1036 13.238,1037 16.315,1038 6.511,1039 26.21,1040 12.688,1041 3.016,1042 12.46,1043 22.843,1044 4.779,1045 14.426,1046 17.817,1047 7.078,1048 28.728,1049 13.823,1050 2.69,1051 10.464,1052 24.804,1053 4.649,1054 15.648,1055 19.37,1056 7.782,1057 31.27,1058 15.001,1059 2.419,1060 7.93,1061 26.771,1062 3.691,1063 16.859,1064 20.9,1065 8.386,1066 33.802,1067 16.164,1068 2.276,1069 7.121,1070 28.743,1071 3.501,1072 18.082,1073 22.45,1074 9.064,1075 36.344,1076 17.345,1077 2.098,1078 6.632,1079 30.718,1080 3.423,1081 19.304,1082 23.992,1083 9.687,1084 38.883,1085 18.523,1086 15838,1087 29255,1088 24.156,1089 42.369,1090 59.184,1091 60.074,1092 59.661,1093 58.455,1094 58.363,1095 78.115,1096 7.513,1097 179.19,1098 54.897,1099 5.741,1100 6.689,1101 6.934,1102 5.627,1103 5.493,1104 7.779,1105 3.31,1106 20.871,1107 5.376,1108 22.503,1109 1.557,1110 1.581,1111 1.57,1112 1.538,1113 1.536,1114 2.056,1115 0.198,1116 4.716,1117 1.445,1118 4.18,1119 4.206,1120 4.794,1121 4.137,1122 7.717,1123 4.083,1124 4.003,1125 3.969,1126 4.169,1127 4.007,1128 7.43,1129 3.932,1130 3.92,1131 3.945,1132 4.091,1133 3.863,1134 6.999,1135 3.857,1136 3.64,1137 3.693,1138 3.855,1139 3.537,1140 6.449,1141 3.472,1142 3.579,1143 3.624,1144 3.532,1145 3.433,1146 5.006,1147 3.401,1148 3.536,1149 3.526,1150 3.469,1151 3.348,1152 4.885,1153 3.365,1154 3.335,1155 3.394,1156 3.228,1157 3.176,1158 4.713,1159 3.175,1160 3.147,1161 3.217,1162 3.165,1163 3.005,1164 4.374,1165 2.993,1166 0.129,1167 0.123,1168 0.194,1169 0.117,1170 0.092,1171 4.891,1172 0.126,1173 4.689,1174 0.05,1175 7.378,1176 0.341,1177 4.455,1178 0.089,1179 3.493,1180 4.779,1181 1.909,1182 12.944,1183 3.376,1184 1.99,1185 1.97,1186 2.081,1187 2.079,1188 1.282,1189 2.082,1190 1.925,1191 1.901,1192 2.033,1193 2.013,1194 1.207,1195 2.024,1196 1.732,1197 1.784,1198 1.788,1199 1.847,1200 0.951,1201 1.888,1202 1.558,1203 1.501,1204 1.742,1205 1.783,1206 0.931,1207 1.787,1208 1.501,1209 1.446,1210 1.616,1211 1.728,1212 0.823,1213 1.735,1214 1.415,1215 1.404,1216 1.568,1217 1.581,1218 0.698,1219 1.584,1220 1.338,1221 1.281,1222 1.431,1223 1.471,1224 0.606,1225 1.511,1226 1.152,1227 1.107,1228 1.417,1229 1.36,1230 0.544,1231 1.392,1232 4.344,1233 5.72,1234 3.045,1235 7.263,1236 5.416,1237 8.889,1238 7.535,1239 10.564,1241 4.747,1242 5.947,1246 10.805,1247 0.757,1248 5.367,1253 -1.238,1257 39.941,1258 110.278,1259 236.494,1260 284.865,1261 317.394,1262 324.149,1263 326.149,1264 95.66,1265 8.047,1266 113.32,1267 149.94,1268 22,1269 12.982,1270 4.644,1271 3.858,1272 59.112,1273 149,1274 176,1275 0.194,1276 255.896,1277 435.71,1278 616.146,1279 34213,1280 1.7,1281 25.38,1282 0.725,1283 0.622,1284 26.484,1285 21.76,1286 16.437,1287 0.433,1288 0.354,1289 10.867,1290 14.556,1291 10.246,1292 8.516,1293 17.955,1294 13.444,1295 16.814,1296 0.295,1297 0.215,1298 19.388,1299 12.283,1300 12.147,1301 0.171,1302 0.118,1303 14.538,1304 8.409,1305 10.341,1306 0.107,1307 0.065,1308 12.541,1309 6.28,1310 8.51,1311 0.069,1312 0.038,1313 10.907,1314 4.628,1315 0.3,1316 117.984,1317 0.203,1318 31.776,1319 0.548,1320 190,1321 587.236,1322 297.377,1323 641.009,1324 852.94,1325 588,1326 223,1327 560.232,1328 317.989,1329 630.492,1330 920.27,1331 588,1332 7}
{0 CHEMBL2326615,1 2.038,2 12.235,3 4.583,4 21.006,5 130.526,6 9.906,7 0.568,8 4.1,9 4.185,10 4.037,11 3.735,12 5.273,13 3.695,14 4.639,15 4.764,16 4.481,17 4.137,18 6.159,19 4.076,20 4.822,21 4.968,22 4.433,23 4.195,24 6.098,25 4.136,26 4.923,27 5.102,28 4.45,29 4.175,30 6.245,31 4.137,32 4.933,33 5.121,34 4.52,35 4.166,36 6.391,37 4.135,38 4.882,39 5.055,40 4.43,41 4.217,42 6.12,43 4.154,44 4.963,45 5.132,46 4.459,47 4.228,48 6.574,49 4.177,50 4.829,51 4.978,52 4.4,53 4.194,54 6.159,55 4.103,56 0.226,57 0.95,58 8.001,59 5.195,60 34.611,61 4.886,62 0.816,63 1.648,64 22.428,65 9.564,66 114.288,67 8.814,68 0.723,69 1.715,70 25.937,71 11.008,72 90.27,73 10.575,74 0.927,75 1.932,76 31.817,77 11.758,78 119.181,79 11.839,80 1.291,81 2.067,82 28.61,83 10.809,84 124.157,85 11.258,86 0.874,87 1.904,88 35.16,89 13.012,90 129.795,91 12.429,92 1.536,93 1.949,94 30.131,95 12.662,96 267.468,97 11.968,98 0.726,99 1.876,100 30.642,101 13.082,102 75.555,103 12.363,104 56,105 54,106 0.333,107 0.647,108 0.769,109 0.87,110 0.891,111 0.897,112 3.561,113 1.029,114 -5.17,115 -5.06,116 -4.74,119 41.5,120 1,125 2,128 1,138 9,139 4,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 5,169 4,171 3,172 14,176 11,179 1,181 5,183 6,186 2,187 12,192 5,194 3,197 2,198 11,203 4,205 10,209 10,212 1,214 2,217 14,221 7,224 1,226 2,227 15,230 1,231 6,236 3,238 11,241 1,242 5,246 1,247 2,249 9,252 2144,253 22.195,254 22.195,255 22.195,256 22.195,257 22.195,258 19.238,259 27.437,260 12.882,261 23.009,262 18.288,263 18.288,264 18.288,265 18.288,266 18.288,267 13.641,268 37.221,269 6.15,270 19.727,271 3.69,272 1.77,273 1.02,274 0.406,275 0.278,276 0.241,277 4.248,280 1,283 1,284 881,285 4.528,287 168.216,288 203.335,291 143.89,295 1.779,296 61.664,299 0.75,300 0.83,301 0.83,302 0.5,303 0.5,304 0.83,305 1,306 0.75,307 76.333,308 416,309 4.883,310 4.689,311 7.323,312 4.357,313 3.436,314 4.771,315 2.375,316 12.622,317 3.226,318 4.697,319 3.625,320 6.979,321 4.19,322 3.25,323 4.637,324 1.909,325 11.822,326 2.982,327 4.089,328 3.52,329 6.01,330 3.719,331 2.734,332 3.681,333 0.561,334 8.505,335 2.7,336 3.861,337 3.184,338 5.609,339 3.485,340 2.544,341 3.424,342 0.522,343 7.656,344 2.391,345 3.834,346 2.901,347 5.455,348 3.261,349 2.419,350 3.243,352 6.904,353 2.217,354 3.557,355 2.868,356 5.213,357 3.225,358 2.242,359 2.755,361 6.332,362 2.023,363 3.404,364 2.493,365 5.032,366 3.016,367 2.049,368 2.726,370 5.926,371 1.958,372 3.308,373 2.146,374 4.726,375 2.888,376 1.924,377 2.546,379 5.029,380 1.819,381 2.929,382 1.993,383 4.582,384 2.552,385 1.624,386 2.037,388 4.602,389 1.49,390 2.795,391 1.613,392 4.439,393 2.242,394 1.354,395 1.884,397 3.878,398 1.214,399 2.684,400 1.407,401 3.793,402 2.202,403 1.23,404 1.758,406 2.915,407 1.178,408 2.658,409 1.232,410 3.724,411 2.145,412 1.178,413 1.729,415 2.674,416 1.049,417 2.255,418 1.198,419 3.495,420 1.854,421 0.949,422 1.195,424 2.42,425 0.835,426 2.179,427 1.056,428 3.281,429 1.558,430 0.685,431 1.017,433 1.669,434 0.577,435 1.778,436 0.804,437 3.106,438 1.516,439 0.547,440 0.632,442 1.218,443 0.526,444 16.552,445 0.487,446 1.122,447 0.033,448 44.5,449 1.309,450 23,451 0.676,452 21.5,453 0.632,454 30.709,455 0.903,456 36.848,457 0.695,458 39.087,459 1.15,460 8.771,461 0.258,462 7.365,463 0.217,464 0.168,465 0.05,466 0.326,468 2,472 0.529,473 0.997,474 0.666,475 0.998,476 0.598,477 0.828,478 0.614,479 0.883,480 0.624,481 0.775,482 0.579,483 0.839,484 0.849,485 1.055,486 0.947,487 1.119,488 0.826,489 1.072,490 0.96,491 1.171,492 0.731,493 0.933,494 0.904,495 0.97,496 0.801,497 0.814,498 0.675,499 0.754,500 0.854,501 0.836,502 0.941,503 0.979,504 0.945,505 1.05,506 0.96,507 0.918,508 1.082,509 0.884,510 0.788,511 0.72,512 1.114,513 0.853,514 0.841,515 1.28,516 1.106,517 1.367,518 0.842,519 1.254,520 9,521 0.299,522 4,523 3.104,524 2.166,525 1.685,526 1.056,527 0.708,528 0.551,529 0.408,530 15287,531 59698,532 2.018,533 35.8,535 13,536 1,538 2,539 3,542 1.766,543 1.846,544 3.539,545 0.293,550 108.007,551 2.038,552 3.958,553 4.708,554 5.322,555 5.45,556 5.487,557 3.032,558 4.653,559 5.053,560 3.723,561 2088.41,562 8.9,563 31327.7,568 303.58,569 1.667,570 4.989,571 0.243,572 0.009,573 0.074,574 0.059,575 0.039,576 0.03,577 0.02,578 0.013,579 0.011,580 0.01,581 0.508,582 0.17,583 0.88,584 1.159,585 180.519,586 0.024,587 -0.02,588 0.098,589 -0.018,590 -0.099,591 0.038,592 0.192,593 0.146,594 0.178,595 0.167,596 0.193,597 0.044,598 -0.097,599 -0.186,600 -0.066,601 -0.161,602 -0.083,603 -0.137,604 -0.079,605 -0.224,606 0.059,607 -0.063,608 -0.042,609 -0.035,610 0.179,611 0.212,612 0.138,613 0.094,614 0.071,615 0.076,616 -0.087,617 -0.011,618 -0.004,619 -0.025,620 -0.1,621 0.079,622 0.047,623 0.144,624 0.02,625 0.187,626 0.1,627 0.088,628 -0.015,629 -0.297,630 -0.108,631 -0.29,632 -0.022,633 -0.25,634 5.002,635 5.848,636 0.588,637 36.481,638 1.035,639 1.129,640 3.937,641 15.497,642 0.722,643 3.638,644 4.007,645 4.248,646 4.554,647 4.779,648 4.905,649 5.081,650 5.215,651 5.352,652 5.464,653 7.174,654 0.697,655 525.04,656 3.638,657 5.209,658 6.061,659 6.967,660 7.847,661 8.759,662 9.653,663 10.568,664 11.472,665 12.39,666 7.5,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,702 1,703 53,705 24,706 2,707 37,709 56,710 22,711 17,712 5,713 7,716 1,717 4,718 5,719 1,721 2,729 18,730 4,733 3,736 1,737 3,741 1,745 2,747 19,748 8,749 2,750 12,751 3,755 4,760 0.75,761 3,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 1,803 2,805 34,808 1,810 2,811 2,814 1,820 1,824 3,825 5.7,828 3,832 18.417,833 9.745,834 7.264,835 2.878,836 3.71,837 1.465,838 1.013,839 7.337,840 11.698,841 3.942,842 4.615,843 5.169,844 5.802,845 6.297,846 6.654,847 7.073,848 7.496,849 7.859,850 8.231,851 1,852 53,853 13.091,854 6.171,855 8.241,856 23.208,857 19.332,859 2.741,860 93.194,864 200.109,865 166.503,866 52.855,867 39.149,868 69.458,869 29.92,870 37.085,871 129.417,872 308.715,873 82.776,874 8.825,875 22.222,876 99.208,877 107.231,878 45.5,879 55.392,880 219.615,882 200.109,883 182.273,884 99.378,885 76.234,887 200.109,888 99.378,890 8.115,891 34.497,892 106.593,893 38.875,894 70.426,895 230.029,896 122.313,897 205.651,899 5.807,900 208.223,901 58.469,902 95.888,903 34.416,904 155.19,905 200.109,906 152.233,907 205.651,909 0.593,910 0.329,911 0.177,912 0.103,913 26,914 13,915 0.125,916 7,917 1,918 1.1,919 4.285,920 326.442,921 0.1,922 20,923 168.974,924 1,927 1,928 24.739,929 10.084,930 5.659,931 0.38,932 150.457,933 14.457,934 4.344,937 0.85,938 1.362,939 1.47,940 34.416,941 557.993,942 50.5,945 -4.085,946 36.895,950 -0.16,952 54.843,953 59.822,954 0.356,955 0.691,956 0.822,957 0.929,958 0.951,959 0.958,960 5.2,961 1.924,962 6.098,963 5.926,964 4.691,965 5.303,966 2.822,967 6.969,968 4.561,969 6.461,970 1.624,971 7.7,972 5.029,973 4.511,974 5.421,975 2.655,976 8.152,977 4.287,978 7.82,979 1.354,980 9.412,981 4.602,982 6.378,983 7.653,984 4.03,985 11.223,986 6.132,987 9.221,988 1.23,989 11.192,990 3.878,991 6.986,992 8.587,993 4.477,994 13.25,995 6.639,996 10.656,997 1.178,998 13.018,999 2.915,1000 8.401,1001 10.364,1002 5.517,1003 15.922,1004 8.025,1005 12.119,1006 0.949,1007 14.878,1008 2.674,1009 9.351,1010 11.652,1011 6.195,1012 18.263,1013 8.879,1014 13.602,1015 0.685,1016 16.763,1017 2.42,1018 10.616,1019 13.274,1020 7.116,1021 20.822,1022 10.099,1023 3.436,1024 0.547,1025 18.667,1026 1.669,1027 11.714,1028 14.712,1029 7.893,1030 23.275,1031 11.111,1032 3.25,1033 12.622,1034 20.587,1035 1.218,1036 12.933,1037 16.282,1038 8.77,1039 25.802,1040 12.274,1041 2.734,1042 11.822,1043 22.519,1044 4.771,1045 14.095,1046 17.784,1047 9.591,1048 28.294,1049 13.358,1050 2.544,1051 8.505,1052 24.46,1053 4.637,1054 15.304,1055 19.338,1056 10.455,1057 30.813,1058 14.503,1059 2.419,1060 7.656,1061 26.409,1062 3.681,1063 16.495,1064 20.867,1065 11.297,1066 33.32,1067 15.621,1068 2.242,1069 6.904,1070 28.363,1071 3.424,1072 17.703,1073 22.417,1074 12.157,1075 35.838,1076 16.764,1077 2.049,1078 6.332,1079 30.323,1080 3.243,1081 18.908,1082 23.958,1083 13.009,1084 38.352,1085 17.898,1086 14913,1087 29764,1088 23.868,1089 38.267,1090 56.873,1091 58.151,1092 58.068,1093 56.451,1094 56.324,1095 76.074,1096 10.733,1097 168.347,1098 52.369,1099 5.733,1100 6.689,1101 6.879,1102 5.529,1103 5.436,1104 7.771,1105 3.885,1106 20.192,1107 5.226,1108 20.818,1109 1.537,1110 1.572,1111 1.569,1112 1.526,1113 1.522,1114 2.056,1115 0.29,1116 4.55,1117 1.415,1118 4.175,1119 4.202,1120 4.793,1121 4.134,1122 8.362,1123 4.075,1124 4.002,1125 3.969,1126 4.169,1127 3.998,1128 7.999,1129 3.93,1130 3.918,1131 3.944,1132 4.088,1133 3.861,1134 7.717,1135 3.855,1136 3.598,1137 3.651,1138 3.854,1139 3.53,1140 7.43,1141 3.428,1142 3.563,1143 3.567,1144 3.507,1145 3.364,1146 6.999,1147 3.386,1148 3.45,1149 3.484,1150 3.415,1151 3.24,1152 5.004,1153 3.257,1154 3.225,1155 3.282,1156 3.177,1157 3.03,1158 4.885,1159 3.038,1160 3.147,1161 3.216,1162 3.145,1163 2.992,1164 4.713,1165 2.987,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.883,1172 0.129,1173 4.689,1174 0.064,1175 7.323,1176 0.341,1177 4.357,1178 0.087,1179 3.436,1180 4.771,1181 2.375,1182 12.622,1183 3.226,1184 1.977,1185 1.955,1186 2.071,1187 2.072,1188 1.257,1189 2.073,1190 1.917,1191 1.896,1192 2.005,1193 2.002,1194 1.179,1195 2.011,1196 1.731,1197 1.781,1198 1.748,1199 1.847,1200 0.946,1201 1.886,1202 1.52,1203 1.463,1204 1.618,1205 1.767,1206 0.859,1207 1.765,1208 1.423,1209 1.405,1210 1.584,1211 1.64,1212 0.707,1213 1.625,1214 1.381,1215 1.336,1216 1.44,1217 1.482,1218 0.606,1219 1.517,1220 1.166,1221 1.113,1222 1.345,1223 1.397,1224 0.558,1225 1.407,1226 1.089,1227 1.043,1228 1.256,1229 1.343,1230 0.427,1231 1.333,1232 4.317,1233 5.673,1234 3.045,1235 7.201,1236 5.416,1237 8.814,1238 7.535,1239 10.479,1241 1.424,1242 5.862,1243 27.622,1247 0.538,1248 5.068,1251 -2.832,1257 36.939,1258 108.007,1259 209.766,1260 249.541,1261 282.07,1262 288.825,1263 290.825,1264 97.354,1265 7.988,1266 93.09,1267 129.71,1268 22,1269 12.903,1270 4.644,1271 3.858,1272 56.576,1273 144,1274 168,1275 0.191,1276 235.111,1277 404.46,1278 565.432,1279 32192,1280 5.7,1281 24.457,1282 0.719,1283 0.593,1284 23.984,1285 20.146,1286 16.136,1287 0.436,1288 0.343,1289 10.076,1290 14.1,1291 9.631,1292 7.927,1293 16.743,1294 12.696,1295 15.749,1296 0.292,1297 0.205,1298 17.393,1299 11.066,1300 11.943,1301 0.173,1302 0.116,1303 13.762,1304 8.017,1305 10.165,1306 0.108,1307 0.064,1308 11.892,1309 5.978,1310 8.3,1311 0.07,1312 0.037,1313 10.097,1314 4.378,1315 0.297,1316 117.412,1317 0.205,1318 31.118,1319 0.537,1320 182,1321 719.309,1322 294.948,1323 708.61,1324 922.46,1325 652,1326 214,1327 581.202,1328 312.815,1329 640.95,1330 945.63,1331 598,1332 7}
{0 CHEMBL2326616,1 1.888,2 13.806,3 3.833,4 14.694,5 141.146,6 9.273,7 0.525,8 4.212,9 4.294,10 4.097,11 3.82,12 5.316,13 3.781,14 4.745,15 4.871,16 4.493,17 4.214,18 6.024,19 4.147,20 4.916,21 5.068,22 4.474,23 4.265,24 6.093,25 4.201,26 5.011,27 5.188,28 4.465,29 4.247,30 6.272,31 4.191,32 4.984,33 5.168,34 4.472,35 4.268,36 6.189,37 4.202,38 5.03,39 5.224,40 4.427,41 4.324,42 6.194,43 4.242,44 4.995,45 5.157,46 4.451,47 4.347,48 6.193,49 4.265,50 5.039,51 5.215,52 4.367,53 4.331,54 6.173,55 4.216,56 0.194,57 0.897,58 10.929,59 5.843,60 21.295,61 5.916,62 0.681,63 1.426,64 27.676,65 10.533,66 70.485,67 10.286,68 0.61,69 1.677,70 31.486,71 12.126,72 59.796,73 12.717,74 1.058,75 1.786,76 36.908,77 12.181,78 102.308,79 13.159,80 0.874,81 1.747,82 32.372,83 12.032,84 81.722,85 13.696,86 0.962,87 1.833,88 39.605,89 13.684,90 84.546,91 15.028,92 0.727,93 1.734,94 34.249,95 13.791,96 83.184,97 14.536,98 0.882,99 1.735,100 39.982,101 15.196,102 92.556,103 15.983,104 27,105 58,106 0.302,107 0.642,108 0.78,109 0.868,110 0.878,111 0.884,112 3.616,113 1.032,114 -3.89,115 -3.84,116 -3.65,119 40.7,122 1,124 1,125 4,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 8,169 4,171 3,172 13,176 10,179 1,181 4,183 5,186 5,187 13,190 2,192 5,194 3,197 2,198 9,203 4,205 9,208 2,209 12,212 1,214 2,217 10,221 13,224 1,226 2,227 12,230 1,231 11,236 3,238 9,241 1,242 8,246 1,247 1,249 9,252 2634,253 24.22,254 24.22,255 24.22,256 24.22,257 24.22,258 21.315,259 31.167,260 14.013,261 25.171,262 19.703,263 19.703,264 19.703,265 19.703,266 19.703,267 15.067,268 42.073,269 6.577,270 21.24,271 3.995,272 1.866,273 1.005,274 0.453,275 0.386,276 0.352,277 4.314,280 1,283 1,284 1086,285 4.359,286 91.243,287 181.014,288 220.098,291 155.474,295 2.039,296 49.238,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 79.333,308 497,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.193,318 4.683,319 3.727,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.09,328 3.372,329 6.039,330 3.821,331 2.833,332 3.681,333 0.86,334 8.609,335 2.793,336 3.961,337 2.934,338 5.839,339 3.687,340 2.696,341 3.424,342 0.561,343 8.152,344 2.673,345 3.86,346 2.895,347 5.546,348 3.328,349 2.418,350 3.164,351 0.522,352 7.401,353 2.256,354 3.725,355 2.675,356 5.365,357 3.249,358 2.378,359 3.115,361 6.797,362 2.007,363 3.392,364 2.592,365 5.116,366 3.018,367 2.057,368 2.735,370 6.021,371 1.965,372 3.325,373 2.384,374 4.998,375 2.9,376 1.956,377 2.582,379 5.882,380 1.82,381 2.926,382 2.145,383 4.523,384 2.657,385 1.705,386 1.937,388 4.257,389 1.602,390 2.8,391 1.645,392 4.439,393 2.367,394 1.413,395 1.888,397 4.072,398 1.343,399 2.77,400 1.613,401 4.315,402 2.239,403 1.348,404 1.857,406 3.874,407 1.185,408 2.658,409 1.317,410 3.732,411 2.175,412 1.184,413 1.726,415 2.797,416 1.172,417 2.63,418 1.218,419 3.501,420 2.125,421 1.176,422 1.674,424 2.629,425 1.035,426 2.179,427 1.164,428 3.283,429 1.561,430 0.687,431 1.019,433 1.671,434 0.583,435 1.791,436 1.029,437 3.168,438 1.56,439 0.639,440 0.695,442 1.478,443 0.578,444 17.648,445 0.49,446 1.008,447 0.028,448 47,449 1.306,450 23.5,451 0.653,452 23.5,453 0.653,454 32.692,455 0.908,456 38.752,457 0.657,458 39.753,459 1.104,460 9.138,461 0.254,462 8.198,463 0.228,464 0.125,465 0.047,466 0.306,472 0.646,473 1.208,474 0.678,475 1.048,476 0.623,477 0.86,478 0.882,479 1.001,480 0.673,481 0.764,482 0.616,483 0.829,484 0.962,485 1.327,486 0.929,487 1.155,488 1.017,489 1.062,490 0.99,491 1.084,492 0.772,493 0.85,494 1.158,495 0.935,496 0.771,497 1.068,498 0.691,499 0.881,500 0.77,501 0.942,502 0.907,503 0.823,504 0.866,505 0.816,506 0.783,507 0.813,508 0.984,509 0.988,510 0.891,511 1.002,512 1.142,513 0.994,514 1.091,515 1.015,516 1.037,517 1.044,518 1.126,519 1.078,520 8.5,521 0.258,522 4.333,523 3.229,524 2.113,525 1.577,526 0.934,527 0.615,528 0.512,529 0.331,530 20218,531 67377,532 2.096,533 39,535 20,538 2,539 1,542 1.777,543 1.955,544 3.711,545 0.259,550 111.385,551 1.888,552 4.017,553 4.878,554 5.429,555 5.497,556 5.531,557 3.202,558 5.003,559 5.137,560 3.891,561 2451.11,562 9.048,563 39115.4,568 347.076,569 1.548,570 5.093,571 0.213,572 0.007,573 0.077,574 0.058,575 0.038,576 0.029,577 0.016,578 0.011,579 0.01,580 0.008,581 0.466,582 0.33,583 0.75,584 0.683,585 196.501,586 0.029,587 -0.059,588 0.116,589 -0.046,590 -0.105,591 0.025,592 0.046,593 0.083,594 0.157,595 0.189,596 0.144,597 0.067,598 -0.081,599 -0.275,600 -0.025,601 -0.178,602 -0.086,603 -0.123,604 0.041,605 -0.033,606 0.028,607 0.017,608 -0.026,609 -0.031,610 0.086,611 -0.042,612 0.112,613 -0.015,614 0.079,615 -0.001,616 -0.016,617 0.21,618 0.022,619 0.141,620 0.049,621 0.161,622 -0.095,623 0.017,624 -0.035,625 -0.028,626 -0.086,627 -0.027,628 -0.128,629 -0.06,630 -0.095,631 -0.033,632 -0.123,633 -0.074,634 4.808,635 5.979,636 0.667,637 42.361,638 1.023,639 1.118,640 2.657,641 7.059,642 0.713,643 3.714,644 4.078,645 4.357,646 4.605,647 4.804,648 4.92,649 5.081,650 5.236,651 5.371,652 5.481,653 7.928,654 0.68,655 547.1,656 3.714,657 5.283,658 6.146,659 7.047,660 7.928,661 8.833,662 9.724,663 10.632,664 11.529,665 12.439,666 6.8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 59,705 24,706 2,707 40,709 63,710 24,711 17,712 5,713 7,717 5,718 6,719 1,725 1,729 18,730 6,731 1,733 3,736 1,737 3,741 1,747 23,748 8,749 2,750 12,751 3,755 4,760 0.8,761 5,766 1,769 1,774 1,775 2,776 2,779 1,783 1,795 1,796 4,799 2,801 1,802 1,805 36,808 1,810 4,811 2,812 2,814 1,820 1,824 1,825 8.5,828 3,829 1,830 1,832 18.417,833 10.793,834 7.764,835 3.241,836 3.766,837 1.456,838 1.009,839 7.442,840 12.026,841 3.998,842 4.654,843 5.219,844 5.812,845 6.286,846 6.633,847 7.038,848 7.474,849 7.833,850 8.192,851 1,852 56,853 13.639,854 6.243,855 7.922,856 25.203,857 21.251,859 2.422,860 87.194,864 247.193,865 171.688,866 52.855,867 39.149,868 91.458,870 37.085,871 134.603,872 377.799,873 52.855,874 10.883,875 31.407,876 91.094,877 118.23,878 28.637,879 43.621,880 278.471,882 247.193,883 187.458,884 91.458,885 76.234,887 247.193,888 80.458,889 11,891 34.857,892 119.534,893 38.875,894 70.426,895 247.193,896 144.313,897 210.837,899 5.807,900 247.193,901 69.712,902 97.946,903 34.416,904 147.269,905 247.193,906 144.313,907 210.837,909 0.59,910 0.347,911 0.18,912 0.097,913 29,914 13,915 0.143,916 9,917 1,918 1.083,919 4.629,920 353.027,921 0.083,922 24,923 182.117,924 1,927 1,928 25.33,929 10.576,930 5.519,931 1.261,932 142.536,933 16.226,934 4.591,937 0.966,938 3.023,939 1.723,940 34.416,941 602.343,942 53.5,945 -3.892,946 38.081,950 -0.013,952 60.356,953 65.976,954 0.321,955 0.683,956 0.829,957 0.923,958 0.934,959 0.94,960 5.259,961 1.956,962 6.168,963 6.021,964 4.762,965 5.342,966 2.406,967 7.033,968 4.634,969 6.503,970 1.705,971 7.764,972 5.882,973 4.511,974 5.421,975 1.593,976 8.186,977 4.312,978 7.859,979 1.413,980 9.471,981 4.257,982 6.457,983 7.677,984 3.04,985 11.26,986 6.215,987 9.256,988 1.348,989 11.245,990 4.072,991 7.022,992 8.596,993 3.032,994 13.262,995 6.702,996 10.69,997 1.184,998 13.065,999 3.874,1000 8.467,1001 10.374,1002 4.074,1003 15.921,1004 8.103,1005 12.149,1006 1.176,1007 14.917,1008 2.797,1009 9.39,1010 11.655,1011 4.414,1012 18.246,1013 8.943,1014 13.629,1015 0.687,1016 16.794,1017 2.629,1018 10.662,1019 13.275,1020 5.265,1021 20.794,1022 10.161,1023 3.431,1024 0.639,1025 18.691,1026 1.671,1027 11.743,1028 14.709,1029 5.757,1030 23.237,1031 11.158,1032 3.227,1033 12.608,1034 20.603,1035 1.478,1036 12.959,1037 16.277,1038 6.512,1039 25.756,1040 12.31,1041 2.833,1042 11.652,1043 22.527,1044 4.768,1045 14.109,1046 17.777,1047 7.078,1048 28.242,1049 13.377,1050 2.696,1051 8.609,1052 24.461,1053 4.632,1054 15.311,1055 19.329,1056 7.783,1057 30.756,1058 14.508,1059 2.418,1060 8.152,1061 26.403,1062 3.681,1063 16.493,1064 20.857,1065 8.386,1066 33.259,1067 15.608,1068 2.378,1069 7.401,1070 28.352,1071 3.424,1072 17.695,1073 22.405,1074 9.064,1075 35.773,1076 16.735,1077 2.057,1078 6.797,1079 30.306,1080 3.164,1081 18.892,1082 23.945,1083 9.687,1084 38.285,1085 17.851,1086 18946,1087 34900,1088 26.641,1089 42.063,1090 59.927,1091 62.742,1092 61.879,1093 59.618,1094 59.542,1095 79.212,1096 9.424,1097 178.044,1098 55.455,1099 5.882,1100 6.689,1101 6.94,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.193,1108 18.209,1109 1.498,1110 1.569,1111 1.547,1112 1.49,1113 1.489,1114 1.98,1115 0.236,1116 4.451,1117 1.386,1118 4.17,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.972,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.926,1131 3.949,1132 4.079,1133 3.858,1134 6.999,1135 3.854,1136 3.82,1137 3.846,1138 3.861,1139 3.641,1140 5.049,1141 3.659,1142 3.56,1143 3.556,1144 3.733,1145 3.528,1146 4.885,1147 3.423,1148 3.447,1149 3.492,1150 3.369,1151 3.249,1152 4.727,1153 3.259,1154 3.324,1155 3.384,1156 3.22,1157 3.095,1158 4.651,1159 3.106,1160 3.221,1161 3.286,1162 3.166,1163 2.988,1164 4.594,1165 2.994,1166 0.122,1167 0.117,1168 0.183,1169 0.109,1170 0.086,1171 4.882,1172 0.119,1173 4.689,1174 0.048,1175 7.322,1176 0.315,1177 4.347,1178 0.08,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.069,1187 2.069,1188 1.262,1189 2.069,1190 1.906,1191 1.89,1192 1.99,1193 2.007,1194 1.231,1195 2.007,1196 1.756,1197 1.779,1198 1.934,1199 1.957,1200 1.143,1201 1.954,1202 1.728,1203 1.724,1204 1.631,1205 1.837,1206 0.944,1207 1.881,1208 1.436,1209 1.406,1210 1.606,1211 1.665,1212 0.828,1213 1.657,1214 1.394,1215 1.357,1216 1.563,1217 1.537,1218 0.608,1219 1.536,1220 1.254,1221 1.192,1222 1.465,1223 1.5,1224 0.586,1225 1.527,1226 1.168,1227 1.092,1228 1.336,1229 1.444,1230 0.556,1231 1.467,1232 4.394,1233 5.771,1234 3.045,1235 7.315,1236 5.416,1237 8.936,1238 7.535,1239 10.6,1241 1.525,1242 5.943,1247 1.723,1248 5.533,1249 10.583,1251 -0.078,1257 40.129,1258 111.385,1259 236.998,1260 287.792,1261 320.321,1262 324.321,1263 326.321,1264 80.372,1265 8.26,1266 111.55,1267 148.17,1268 26,1269 12.957,1270 4.644,1271 3.858,1272 54.36,1273 167,1274 200,1275 0.154,1276 252.499,1277 432.14,1278 607.857,1279 48629,1280 1.7,1281 25.286,1282 0.702,1283 0.601,1284 26.389,1285 21.621,1286 17.336,1287 0.433,1288 0.344,1289 11.123,1290 15.255,1291 10.652,1292 8.761,1293 18.854,1294 13.766,1295 16.284,1296 0.281,1297 0.206,1298 18.859,1299 11.921,1300 13.531,1301 0.176,1302 0.115,1303 15.922,1304 8.865,1305 10.927,1306 0.11,1307 0.063,1308 13.127,1309 6.285,1310 8.649,1311 0.071,1312 0.037,1313 11.053,1314 4.52,1315 0.243,1316 124.994,1317 0.194,1318 33.016,1319 0.419,1320 196,1321 648.558,1322 306.366,1323 684.66,1324 913.08,1325 634,1326 233,1327 595.384,1328 333.305,1329 662.542,1330 973.43,1331 618,1332 7.7}
{0 CHEMBL2326617,1 1.888,2 13.806,3 3.978,4 15.828,5 141.075,6 9.273,7 0.525,8 4.212,9 4.294,10 4.097,11 3.82,12 5.314,13 3.781,14 4.745,15 4.87,16 4.497,17 4.209,18 6.028,19 4.143,20 4.921,21 5.074,22 4.478,23 4.255,24 6.128,25 4.192,26 4.979,27 5.15,28 4.456,29 4.24,30 6.211,31 4.186,32 4.993,33 5.173,34 4.475,35 4.261,36 6.222,37 4.203,38 5.016,39 5.207,40 4.43,41 4.318,42 6.191,43 4.238,44 5.01,45 5.179,46 4.45,47 4.339,48 6.198,49 4.259,50 5.014,51 5.181,52 4.366,53 4.326,54 6.161,55 4.213,56 0.194,57 0.897,58 10.929,59 5.843,60 21.506,61 5.916,62 0.665,63 1.425,64 27.524,65 10.534,66 69.142,67 10.314,68 0.76,69 1.665,70 32.589,71 12.145,72 69.375,73 12.738,74 0.882,75 1.746,76 34.949,77 11.913,78 85.419,79 12.807,80 0.951,81 1.754,82 32.654,83 11.842,84 90.469,85 13.057,86 0.91,87 1.818,88 38.277,89 13.474,90 81.215,91 14.827,92 0.795,93 1.74,94 36.286,95 14.023,96 88.367,97 14.727,98 0.833,99 1.706,100 37.86,101 14.764,102 88.539,103 15.407,104 27,105 58,106 0.302,107 0.647,108 0.796,109 0.884,110 0.895,111 0.9,112 3.616,113 1.035,114 -3.89,115 -3.84,116 -3.65,119 40.7,121 1,124 1,125 3,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 7,169 4,171 2,172 13,175 1,176 11,179 2,181 5,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 10,203 4,205 8,208 2,209 13,212 1,214 2,217 10,221 13,224 1,226 2,227 13,230 1,231 9,236 3,238 10,241 2,242 7,246 1,247 1,249 9,252 2634,253 24.22,254 24.22,255 24.22,256 24.22,257 24.22,258 21.315,259 31.092,260 14.013,261 25.184,262 19.703,263 19.703,264 19.703,265 19.703,266 19.703,267 15.067,268 41.84,269 6.577,270 21.271,271 3.995,272 1.832,273 0.903,274 0.352,275 0.284,276 0.25,277 4.314,280 1,283 1,284 1086,285 4.359,286 91.243,287 181.014,288 220.098,291 155.474,295 2.039,296 49.332,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 79.333,308 497,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.032,316 12.608,317 3.193,318 4.683,319 3.776,320 6.925,321 4.168,322 3.227,323 4.632,324 0.9,325 11.652,326 2.971,327 4.09,328 3.372,329 6.039,330 3.801,331 2.833,332 3.681,333 0.86,334 8.609,335 2.74,336 3.961,337 2.936,338 5.839,339 3.683,340 2.696,341 3.424,342 0.546,343 8.152,344 2.657,345 3.86,346 2.895,347 5.546,348 3.328,349 2.418,350 3.164,351 0.522,352 7.401,353 2.255,354 3.725,355 2.687,356 5.365,357 3.249,358 2.378,359 3.115,361 6.797,362 2.007,363 3.392,364 2.613,365 5.116,366 3.018,367 2.057,368 2.735,370 6.021,371 1.965,372 3.325,373 2.384,374 4.998,375 2.9,376 1.956,377 2.582,379 5.882,380 1.82,381 2.926,382 2.145,383 4.523,384 2.669,385 1.705,386 1.937,388 4.257,389 1.621,390 2.8,391 1.645,392 4.439,393 2.368,394 1.413,395 1.888,397 4.072,398 1.344,399 2.77,400 1.613,401 4.315,402 2.239,403 1.348,404 1.857,406 3.874,407 1.185,408 2.658,409 1.317,410 3.732,411 2.176,412 1.184,413 1.726,415 2.797,416 1.173,417 2.63,418 1.217,419 3.501,420 2.125,421 1.176,422 1.674,424 2.629,425 1.035,426 2.179,427 1.101,428 3.283,429 1.581,430 0.687,431 1.019,433 1.671,434 0.597,435 1.791,436 1.014,437 3.168,438 1.56,439 0.639,440 0.695,442 1.478,443 0.578,444 17.648,445 0.49,446 1.008,447 0.028,448 47,449 1.306,450 23.5,451 0.653,452 23.5,453 0.653,454 32.731,455 0.909,456 38.752,457 0.657,458 39.715,459 1.103,460 9.105,461 0.253,462 8.23,463 0.229,464 0.125,465 0.047,466 0.306,472 0.646,473 1.208,474 0.678,475 1.048,476 0.626,477 0.86,478 0.868,479 1.032,480 0.666,481 0.791,482 0.608,483 0.845,484 0.941,485 1.24,486 0.919,487 1.094,488 0.984,489 1.011,490 1.011,491 1.17,492 0.771,493 0.905,494 1.101,495 0.965,496 0.916,497 1.036,498 0.727,499 0.851,500 0.923,501 0.927,502 0.871,503 0.869,504 0.867,505 0.858,506 0.773,507 0.845,508 1.045,509 0.928,510 0.877,511 0.943,512 1.145,513 0.931,514 1.083,515 1.055,516 1.06,517 1.084,518 1.149,519 1.117,520 8.5,521 0.258,522 4.333,523 3.229,524 2.113,525 1.577,526 0.934,527 0.615,528 0.512,529 0.331,530 20218,531 66857,532 2.096,533 39,535 19,538 2,541 2,542 1.777,543 1.955,544 3.711,545 0.259,550 111.385,551 1.888,552 4.051,553 4.98,554 5.531,555 5.599,556 5.633,557 3.202,558 5.003,559 5.137,560 3.891,561 2451.11,562 9.048,563 39115.4,568 347.076,569 1.548,570 5.093,571 0.213,572 0.007,573 0.077,574 0.058,575 0.038,576 0.029,577 0.016,578 0.011,579 0.01,580 0.008,581 0.466,582 0.33,583 0.75,584 0.683,585 196.501,586 0.029,587 -0.059,588 0.116,589 -0.046,590 -0.107,591 0.025,592 0.059,593 0.052,594 0.163,595 0.162,596 0.151,597 0.051,599 -0.193,600 -0.003,601 -0.116,602 -0.038,603 -0.072,604 -0.023,605 -0.117,606 0.022,607 -0.033,608 -0.047,609 -0.06,610 0.023,611 -0.002,612 0.077,613 0.008,614 0.028,615 -0.005,616 0.001,617 0.171,618 0.016,619 0.099,620 0.062,621 0.125,622 -0.11,623 0.066,624 -0.007,625 0.032,626 -0.086,627 0.042,628 -0.131,629 -0.089,630 -0.124,631 -0.071,632 -0.135,633 -0.123,634 4.81,635 5.978,636 0.667,637 42.361,638 1.023,639 1.118,640 2.657,641 7.059,642 0.713,643 3.714,644 4.078,645 4.357,646 4.605,647 4.804,648 4.92,649 5.081,650 5.236,651 5.371,652 5.481,653 7.928,654 0.68,655 547.1,656 3.714,657 5.283,658 6.146,659 7.047,660 7.928,661 8.833,662 9.724,663 10.632,664 11.529,665 12.439,666 6.8,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 59,705 24,706 2,707 40,709 63,710 24,711 17,712 5,713 7,717 5,718 6,719 1,724 2,727 2,729 18,730 6,733 3,736 1,737 3,741 1,747 23,748 8,749 2,750 12,751 3,755 4,760 0.8,761 5,766 1,769 1,774 1,775 2,776 2,779 1,783 1,795 1,796 4,799 2,801 1,802 1,805 36,808 1,810 4,811 2,812 2,814 1,820 1,824 1,825 8.5,828 3,829 1,830 1,832 18.417,833 10.793,834 7.764,835 3.297,836 3.766,837 1.456,838 1.013,839 7.442,840 12.026,841 3.998,842 4.654,843 5.219,844 5.812,845 6.286,846 6.633,847 7.038,848 7.474,849 7.833,850 8.192,851 1,852 56,853 13.643,854 6.249,855 7.922,856 25.203,857 21.237,859 2.422,860 87.194,864 247.193,865 169.63,866 52.855,867 39.149,868 91.458,870 37.085,871 132.545,872 377.799,873 52.855,874 10.883,875 29.349,876 91.094,877 118.23,878 28.637,879 43.621,880 278.471,882 247.193,883 185.401,884 91.458,885 76.234,887 223.651,888 104,889 11,891 32.799,892 119.534,893 38.875,894 70.426,895 247.193,896 144.313,897 208.779,899 5.807,900 247.193,901 67.654,902 97.946,903 34.416,904 147.269,905 247.193,906 144.313,907 208.779,909 0.59,910 0.347,911 0.18,912 0.097,913 29,914 13,915 0.143,916 9,917 1,918 1.083,919 4.629,920 353.027,921 0.083,922 24,923 184.117,924 1,927 1,928 25.33,929 10.576,930 5.519,931 1.257,932 142.536,933 16.189,934 4.588,937 0.965,938 2.996,939 1.719,940 34.416,941 600.285,942 53.5,945 -3.893,946 38.034,950 -0.11,952 60.356,953 65.976,954 0.321,955 0.689,956 0.846,957 0.94,958 0.952,959 0.957,960 5.259,961 1.956,962 6.168,963 6.021,964 4.762,965 5.342,966 2.507,967 7.033,968 4.63,969 6.503,970 1.705,971 7.764,972 5.882,973 4.511,974 5.421,975 1.593,976 8.186,977 4.296,978 7.859,979 1.413,980 9.471,981 4.257,982 6.457,983 7.677,984 3.324,985 11.26,986 6.203,987 9.256,988 1.348,989 11.245,990 4.072,991 7.022,992 8.596,993 3.201,994 13.262,995 6.68,996 10.69,997 1.184,998 13.065,999 3.874,1000 8.467,1001 10.374,1002 4.509,1003 15.921,1004 8.083,1005 12.149,1006 1.176,1007 14.917,1008 2.797,1009 9.39,1010 11.655,1011 4.754,1012 18.246,1013 8.916,1014 13.629,1015 0.687,1016 16.794,1017 2.629,1018 10.662,1019 13.275,1020 5.82,1021 20.794,1022 10.136,1023 3.431,1024 0.639,1025 18.691,1026 1.671,1027 11.743,1028 14.709,1029 6.253,1030 23.237,1031 11.129,1032 3.227,1033 12.608,1034 20.603,1035 1.478,1036 12.959,1037 16.277,1038 7.18,1039 25.756,1040 12.282,1041 2.833,1042 11.652,1043 22.527,1044 4.768,1045 14.109,1046 17.777,1047 7.72,1048 28.242,1049 13.348,1050 2.696,1051 8.609,1052 24.461,1053 4.632,1054 15.311,1055 19.329,1056 8.563,1057 30.756,1058 14.48,1059 2.418,1060 8.152,1061 26.403,1062 3.681,1063 16.493,1064 20.857,1065 9.167,1066 33.259,1067 15.58,1068 2.378,1069 7.401,1070 28.352,1071 3.424,1072 17.695,1073 22.405,1074 9.96,1075 35.773,1076 16.708,1077 2.057,1078 6.797,1079 30.306,1080 3.164,1081 18.892,1082 23.945,1083 10.603,1084 38.285,1085 17.825,1086 18946,1087 34776,1088 26.641,1089 42.063,1090 59.927,1091 62.411,1092 61.879,1093 59.674,1094 59.542,1095 79.212,1096 9.717,1097 178.044,1098 55.387,1099 5.882,1100 6.689,1101 6.94,1102 5.519,1103 5.431,1104 7.768,1105 3.636,1106 20.175,1107 5.193,1108 18.209,1109 1.498,1110 1.56,1111 1.547,1112 1.492,1113 1.489,1114 1.98,1115 0.243,1116 4.451,1117 1.385,1118 4.17,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.925,1131 3.947,1132 4.079,1133 3.858,1134 6.999,1135 3.853,1136 3.815,1137 3.841,1138 3.86,1139 3.627,1140 5.049,1141 3.645,1142 3.56,1143 3.556,1144 3.728,1145 3.528,1146 4.885,1147 3.423,1148 3.45,1149 3.497,1150 3.37,1151 3.252,1152 4.728,1153 3.262,1154 3.338,1155 3.398,1156 3.233,1157 3.111,1158 4.64,1159 3.123,1160 3.221,1161 3.287,1162 3.167,1163 2.989,1164 4.594,1165 2.994,1166 0.122,1167 0.117,1168 0.183,1169 0.109,1170 0.086,1171 4.882,1172 0.119,1173 4.689,1174 0.051,1175 7.322,1176 0.315,1177 4.347,1178 0.08,1179 3.431,1180 4.768,1181 2.032,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.069,1187 2.069,1188 1.257,1189 2.069,1190 1.906,1191 1.89,1192 1.989,1193 2.005,1194 1.23,1195 2.005,1196 1.748,1197 1.779,1198 1.936,1199 1.956,1200 1.143,1201 1.953,1202 1.728,1203 1.714,1204 1.634,1205 1.837,1206 0.945,1207 1.881,1208 1.438,1209 1.406,1210 1.608,1211 1.667,1212 0.831,1213 1.661,1214 1.396,1215 1.36,1216 1.565,1217 1.548,1218 0.609,1219 1.545,1220 1.27,1221 1.207,1222 1.473,1223 1.5,1224 0.59,1225 1.527,1226 1.17,1227 1.092,1228 1.336,1229 1.446,1230 0.56,1231 1.472,1232 4.394,1233 5.771,1234 3.045,1235 7.315,1236 5.416,1237 8.936,1238 7.535,1239 10.6,1241 1.524,1242 5.942,1247 2.126,1248 5.486,1249 10.727,1251 -0.356,1257 40.129,1258 111.385,1259 238.998,1260 293.792,1261 326.321,1262 330.321,1263 332.321,1264 79.986,1265 8.26,1266 111.55,1267 148.17,1268 26,1269 12.957,1270 4.644,1271 3.858,1272 54.36,1273 167,1274 200,1275 0.154,1276 252.499,1277 432.14,1278 607.857,1279 48629,1280 1.7,1281 25.286,1282 0.702,1283 0.601,1284 26.389,1285 21.621,1286 17.336,1287 0.433,1288 0.345,1289 11.165,1290 15.258,1291 10.709,1292 8.796,1293 18.854,1294 13.804,1295 16.284,1296 0.281,1297 0.204,1298 18.859,1299 11.835,1300 13.531,1301 0.176,1302 0.115,1303 15.922,1304 8.848,1305 10.927,1306 0.11,1307 0.064,1308 13.127,1309 6.31,1310 8.649,1311 0.071,1312 0.037,1313 11.053,1314 4.526,1315 0.243,1316 124.902,1317 0.194,1318 33.016,1319 0.419,1320 196,1321 648.558,1322 307.031,1323 684.33,1324 914.84,1325 634,1326 233,1327 600.293,1328 333.803,1329 665.152,1330 979.39,1331 622,1332 7.5}
{0 CHEMBL2326618,1 1.861,2 13.919,3 4.558,4 20.779,5 145.719,6 9.05,7 0.512,8 4.254,9 4.34,10 4.116,11 3.858,12 5.34,13 3.816,14 4.812,15 4.941,16 4.537,17 4.268,18 6.067,19 4.202,20 5.016,21 5.182,22 4.499,23 4.318,24 6.179,25 4.244,26 5.043,27 5.226,28 4.487,29 4.278,30 6.257,31 4.222,32 5.037,33 5.219,34 4.492,35 4.292,36 6.267,37 4.233,38 5.059,39 5.254,40 4.446,41 4.355,42 6.212,43 4.269,44 5.058,45 5.235,46 4.476,47 4.382,48 6.225,49 4.298,50 5.063,51 5.232,52 4.397,53 4.381,54 6.195,55 4.265,56 0.185,57 0.936,58 12.145,59 6.199,60 21.35,61 6.502,62 0.66,63 1.516,64 29.903,65 11.335,66 70.771,67 11.504,68 0.809,69 1.799,70 37.271,71 13.466,72 74.492,73 14.707,74 0.894,75 1.841,76 39.031,77 12.793,78 89.358,79 14.328,80 0.988,81 1.822,82 35.145,83 12.194,84 98.777,85 13.626,86 0.888,87 1.887,88 40.384,89 14.105,90 82.314,91 15.976,92 0.778,93 1.82,94 39.223,95 14.794,96 88.798,97 16.091,98 0.796,99 1.796,100 39.717,101 15.491,102 87.227,103 16.641,104 27,105 59,106 0.295,107 0.636,108 0.792,109 0.885,110 0.895,111 0.9,112 3.642,113 1.047,114 -4.09,115 -4.04,116 -3.82,119 40.3,121 2,124 1,125 3,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 10,165 1,166 8,169 4,171 2,172 13,175 1,176 11,179 2,181 5,183 5,186 4,187 14,190 1,192 6,194 2,197 2,198 10,203 4,205 8,208 2,209 13,212 1,214 2,217 11,221 13,224 1,226 2,227 15,230 1,231 9,236 3,238 12,241 2,242 7,246 1,247 1,249 10,252 2837,253 24.927,254 24.927,255 24.927,256 24.927,257 24.927,258 22.022,259 31.092,260 14.513,261 25.891,262 20.203,263 20.203,264 20.203,265 20.203,266 20.203,267 15.567,268 40.971,269 6.824,270 21.776,271 4.094,272 1.941,273 0.956,274 0.367,275 0.302,276 0.27,277 4.342,280 1,283 1,284 1122,285 4.359,287 297.032,288 226.521,291 160.28,295 2.088,296 50.446,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 81.333,308 515,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 2.032,316 12.608,317 3.193,318 4.683,319 3.766,320 6.925,321 4.168,322 3.227,323 4.632,324 0.9,325 11.652,326 2.971,327 4.09,328 3.372,329 6.024,330 3.784,331 2.811,332 3.681,333 0.86,334 8.563,335 2.732,336 3.943,337 2.935,338 5.839,339 3.679,340 2.692,341 3.424,342 0.546,343 8.151,344 2.651,345 3.86,346 2.895,347 5.546,348 3.327,349 2.418,350 3.163,351 0.522,352 7.4,353 2.255,354 3.725,355 2.677,356 5.365,357 3.249,358 2.378,359 3.101,361 6.797,362 2.007,363 3.392,364 2.579,365 5.116,366 3.017,367 2.056,368 2.735,370 6.021,371 1.965,372 3.324,373 2.383,374 4.998,375 2.9,376 1.956,377 2.581,379 5.881,380 1.82,381 2.936,382 2.145,383 4.522,384 2.718,385 1.745,386 1.945,388 4.238,389 1.682,390 2.8,391 1.645,392 4.439,393 2.371,394 1.416,395 1.889,397 4.07,398 1.347,399 2.771,400 1.613,401 4.293,402 2.239,403 1.349,404 1.862,406 3.874,407 1.185,408 2.658,409 1.355,410 3.732,411 2.179,412 1.189,413 1.727,415 2.798,416 1.176,417 2.63,418 1.316,419 3.504,420 2.125,421 1.176,422 1.674,424 2.639,425 1.035,426 2.179,427 1.217,428 3.311,429 1.86,430 0.91,431 1.019,433 2.103,434 0.858,435 1.963,436 1.047,437 3.283,438 1.56,439 0.687,440 0.945,442 1.671,443 0.578,444 18.148,445 0.49,446 1.008,447 0.027,448 47.5,449 1.284,450 23.5,451 0.635,452 24,453 0.649,454 34.921,455 0.944,456 40.052,457 0.646,458 40.464,459 1.094,460 9.105,461 0.246,462 8.73,463 0.236,464 0.122,465 0.046,466 0.298,472 0.642,473 1.217,474 0.685,475 1.057,476 0.622,477 0.879,478 0.876,479 1.044,480 0.662,481 0.809,482 0.599,483 0.857,484 0.965,485 1.214,486 0.911,487 1.075,488 0.947,489 1.021,490 1.011,491 1.16,492 0.743,493 0.884,494 1.123,495 0.923,496 1.014,497 1.02,498 0.755,499 0.837,500 1.061,501 0.92,502 0.863,503 0.883,504 0.864,505 0.868,506 0.766,507 0.856,508 1.025,509 0.911,510 0.855,511 0.922,512 1.127,513 0.901,514 1.066,515 1.077,516 1.056,517 1.099,518 1.138,519 1.134,520 8.5,521 0.266,522 4.444,523 3.132,524 2.101,525 1.567,526 0.959,527 0.609,528 0.524,529 0.336,530 21838,531 69919,532 2.093,533 40.3,535 19,538 2,540 4,542 1.783,543 1.956,544 3.734,545 0.243,550 115.358,551 1.861,552 4.013,553 4.998,554 5.587,555 5.652,556 5.684,557 3.221,558 4.885,559 5.177,560 3.931,561 2617.92,562 9.125,563 42822.9,568 369.16,569 1.531,570 5.134,571 0.207,572 0.007,573 0.075,574 0.055,575 0.036,576 0.028,577 0.017,578 0.01,579 0.01,580 0.008,581 0.454,582 0.33,583 0.75,584 0.672,585 204.012,586 0.035,587 -0.058,588 0.119,589 -0.043,590 -0.101,591 0.024,592 0.067,593 0.04,594 0.164,595 0.145,596 0.155,597 0.048,598 -0.004,599 -0.181,600 0.001,601 -0.102,602 -0.025,603 -0.07,604 -0.002,605 -0.114,606 0.063,607 -0.01,608 -0.033,609 -0.01,610 -0.013,611 0.024,612 0.053,613 0.02,614 -0.007,615 -0.01,616 0.011,617 0.158,618 0.019,619 0.09,620 0.069,621 0.113,622 -0.093,623 0.084,624 0.018,625 0.055,626 -0.072,627 0.075,628 -0.124,629 -0.102,630 -0.131,631 -0.089,632 -0.131,633 -0.145,634 4.812,635 6,636 0.676,637 44.497,638 1.02,639 1.119,640 2.861,641 8.187,642 0.707,643 3.738,644 4.094,645 4.369,646 4.654,647 4.82,648 4.949,649 5.094,650 5.247,651 5.389,652 5.497,653 8.154,654 0.672,655 561.13,656 3.738,657 5.303,658 6.163,659 7.06,660 7.94,661 8.842,662 9.731,663 10.637,664 11.532,665 12.441,666 6.5,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 62,705 24,706 2,707 41,709 66,710 25,711 17,712 5,713 7,717 5,718 6,719 1,724 3,727 3,729 18,730 7,733 3,736 1,737 3,741 1,747 25,748 8,749 2,750 12,751 3,755 4,760 0.8,761 5,767 1,769 1,775 3,776 2,779 1,783 1,795 1,796 4,799 2,801 1,802 1,805 37,808 1,810 5,811 2,812 2,814 1,820 1,824 1,825 8.1,828 3,829 1,830 1,832 18.917,833 11.293,834 8.014,835 3.547,836 3.773,837 1.452,838 1.008,839 7.953,840 12.125,841 4.016,842 4.663,843 5.224,844 5.827,845 6.29,846 6.641,847 7.039,848 7.476,849 7.835,850 8.195,851 1,852 57,853 14.031,854 6.401,855 7.897,856 26.019,857 21.904,859 2.397,860 88.694,864 270.735,865 172.165,866 52.855,867 39.149,868 91.458,870 37.085,871 135.08,872 401.342,873 52.855,874 10.883,875 31.884,876 91.094,877 118.23,878 28.637,879 43.621,880 302.013,882 270.735,883 187.935,884 91.458,885 76.234,887 223.651,888 127.542,889 11,891 35.334,892 119.534,893 38.875,894 70.426,895 270.735,896 144.313,897 211.314,899 5.807,900 270.735,901 70.188,902 97.946,903 34.416,904 147.269,905 270.735,906 144.313,907 211.314,909 0.588,910 0.345,911 0.187,912 0.097,913 29,914 13,915 0.136,916 9,917 1,918 1.08,919 4.688,920 365.694,921 0.08,922 25,923 190.75,924 1,927 1,928 26.289,929 11.193,930 5.9,931 1.259,932 142.536,933 16.227,934 4.599,937 0.966,938 3.005,939 1.723,940 34.416,941 626.362,942 54.5,945 -3.896,946 38.297,950 -0.1,952 63.24,953 69.391,954 0.312,955 0.674,956 0.839,957 0.938,958 0.949,959 0.955,960 5.274,961 1.956,962 6.18,963 6.021,964 4.779,965 5.352,966 2.507,967 7.04,968 4.649,969 6.513,970 1.745,971 7.773,972 5.881,973 4.511,974 5.421,975 1.593,976 8.186,977 4.296,978 7.863,979 1.416,980 9.475,981 4.238,982 6.454,983 7.676,984 3.324,985 11.257,986 6.205,987 9.257,988 1.349,989 11.247,990 4.07,991 7.022,992 8.596,993 3.201,994 13.261,995 6.68,996 10.689,997 1.189,998 13.065,999 3.874,1000 8.459,1001 10.373,1002 4.509,1003 15.919,1004 8.08,1005 12.147,1006 1.176,1007 14.916,1008 2.798,1009 9.387,1010 11.654,1011 4.754,1012 18.245,1013 8.913,1014 13.626,1015 0.91,1016 16.793,1017 2.639,1018 10.653,1019 13.274,1020 5.82,1021 20.792,1022 10.131,1023 3.431,1024 0.687,1025 18.689,1026 2.103,1027 11.738,1028 14.709,1029 6.253,1030 23.236,1031 11.125,1032 3.227,1033 12.608,1034 20.601,1035 1.671,1036 12.951,1037 16.277,1038 7.18,1039 25.755,1040 12.277,1041 2.811,1042 11.652,1043 22.525,1044 4.768,1045 14.103,1046 17.777,1047 7.72,1048 28.242,1049 13.343,1050 2.692,1051 8.563,1052 24.459,1053 4.632,1054 15.305,1055 19.329,1056 8.563,1057 30.755,1058 14.475,1059 2.418,1060 8.151,1061 26.401,1062 3.681,1063 16.487,1064 20.856,1065 9.167,1066 33.259,1067 15.575,1068 2.378,1069 7.4,1070 28.35,1071 3.424,1072 17.69,1073 22.405,1074 9.96,1075 35.773,1076 16.703,1077 2.056,1078 6.797,1079 30.304,1080 3.163,1081 18.888,1082 23.945,1083 10.603,1084 38.285,1085 17.821,1086 20500,1087 37051,1088 27.334,1089 43.824,1090 61.734,1091 64.405,1092 63.12,1093 61.875,1094 61.79,1095 81.48,1096 9.717,1097 182.893,1098 57.544,1099 5.843,1100 6.689,1101 6.919,1102 5.519,1103 5.431,1104 7.768,1105 3.636,1106 20.175,1107 5.193,1108 18.547,1109 1.506,1110 1.571,1111 1.54,1112 1.509,1113 1.507,1114 1.987,1115 0.237,1116 4.461,1117 1.404,1118 4.17,1119 4.194,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.924,1131 3.948,1132 4.079,1133 3.858,1134 6.999,1135 3.853,1136 3.821,1137 3.853,1138 3.859,1139 3.651,1140 5.049,1141 3.661,1142 3.56,1143 3.558,1144 3.724,1145 3.528,1146 4.885,1147 3.423,1148 3.463,1149 3.513,1150 3.375,1151 3.262,1152 4.727,1153 3.273,1154 3.371,1155 3.422,1156 3.277,1157 3.146,1158 4.608,1159 3.162,1160 3.222,1161 3.288,1162 3.168,1163 2.992,1164 4.589,1165 2.996,1166 0.119,1167 0.114,1168 0.179,1169 0.106,1170 0.084,1171 4.882,1172 0.116,1173 4.689,1174 0.05,1175 7.322,1176 0.308,1177 4.347,1178 0.078,1179 3.431,1180 4.768,1181 2.032,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.067,1188 1.249,1189 2.067,1190 1.905,1191 1.889,1192 1.988,1193 1.993,1194 1.216,1195 2.001,1196 1.73,1197 1.779,1198 1.861,1199 1.852,1200 1.144,1201 1.886,1202 1.625,1203 1.576,1204 1.67,1205 1.804,1206 0.945,1207 1.82,1208 1.46,1209 1.408,1210 1.615,1211 1.7,1212 0.864,1213 1.704,1214 1.415,1215 1.396,1216 1.588,1217 1.638,1218 0.786,1219 1.622,1220 1.37,1221 1.327,1222 1.542,1223 1.501,1224 0.608,1225 1.527,1226 1.2,1227 1.14,1228 1.437,1229 1.473,1230 0.584,1231 1.502,1232 4.419,1233 5.765,1234 3.434,1235 7.288,1236 5.733,1237 8.895,1238 7.789,1239 10.55,1241 1.526,1242 5.949,1247 3.024,1248 5.531,1249 10.958,1251 -0.374,1257 41.656,1258 115.358,1259 248.799,1260 309.876,1261 346.405,1262 350.405,1263 352.405,1264 84.321,1265 8.352,1266 111.55,1267 148.17,1268 27,1269 12.96,1270 4.644,1271 3.858,1272 56.691,1273 177,1274 192,1275 0.151,1276 262.091,1277 449.44,1278 631.262,1279 55523,1280 1.6,1281 25.993,1282 0.703,1283 0.603,1284 27.097,1285 22.328,1286 17.836,1287 0.435,1288 0.349,1289 11.665,1290 15.758,1291 11.199,1292 9.212,1293 19.354,1294 14.304,1295 16.638,1296 0.282,1297 0.207,1298 19.212,1299 12.188,1300 13.781,1301 0.177,1302 0.116,1303 16.172,1304 9.079,1305 11.649,1306 0.112,1307 0.065,1308 13.849,1309 6.77,1310 8.816,1311 0.072,1312 0.038,1313 11.219,1314 4.649,1315 0.239,1316 127.902,1317 0.191,1318 33.794,1319 0.41,1320 200,1321 652.558,1322 311.031,1323 688.491,1324 920.6,1325 638,1326 237,1327 604.293,1328 337.803,1329 669.312,1330 985.11,1331 626,1332 7.4}
{0 CHEMBL2326619,1 1.835,2 14.632,3 4.476,4 20.032,5 150.655,6 8.849,7 0.5,8 4.294,9 4.383,10 4.135,11 3.894,12 5.366,13 3.849,14 4.857,15 4.992,16 4.548,17 4.31,18 6.085,19 4.237,20 5.08,21 5.252,22 4.532,23 4.39,24 6.182,25 4.311,26 5.151,27 5.346,28 4.512,29 4.356,30 6.33,31 4.285,32 5.118,33 5.318,34 4.527,35 4.341,36 6.338,37 4.271,38 5.104,39 5.307,40 4.458,41 4.393,42 6.228,43 4.3,44 5.098,45 5.277,46 4.489,47 4.428,48 6.244,49 4.336,50 5.119,51 5.296,52 4.426,53 4.434,54 6.228,55 4.312,56 0.175,57 0.976,58 13.34,59 6.554,60 20.857,61 7.084,62 0.664,63 1.583,64 32.177,65 11.973,66 72.701,67 12.542,68 0.666,69 1.923,70 39.9,71 14.475,72 67.536,73 16.31,74 0.96,75 2.022,76 44.342,77 14.296,78 100.732,79 16.572,80 1.105,81 1.948,82 40.718,83 13.491,84 111.436,85 16.053,86 0.894,87 1.96,88 43.251,89 14.845,90 84.911,91 17.27,92 0.737,93 1.899,94 40.814,95 15.451,96 87.124,97 17.288,98 0.758,99 1.898,100 42.758,101 16.471,102 87.143,103 18.368,104 27,105 60,106 0.288,107 0.624,108 0.779,109 0.857,110 0.867,111 0.872,112 3.668,113 1.055,114 -4.29,115 -4.23,116 -3.99,119 40,121 2,122 1,124 1,125 4,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 9,169 4,171 3,172 14,176 13,179 1,181 6,183 5,186 4,187 13,190 1,192 5,194 3,197 3,198 9,201 1,203 4,205 11,208 2,209 11,212 1,214 2,217 14,221 12,224 1,226 2,227 16,230 1,231 11,236 3,238 11,241 1,242 11,246 1,247 1,249 9,252 3056,253 25.634,254 25.634,255 25.634,256 25.634,257 25.634,258 22.729,259 34.137,260 15.013,261 26.621,262 20.703,263 20.703,264 20.703,265 20.703,266 20.703,267 16.067,268 46.583,269 7.074,270 22.277,271 4.188,272 2.047,273 1.066,274 0.565,275 0.504,276 0.473,277 4.37,280 1,283 1,284 1209,285 4.359,287 192.011,288 368.097,291 165.36,295 2.177,296 51.065,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 83.333,308 556,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.193,318 4.683,319 3.706,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.089,328 3.372,329 6.02,330 3.802,331 2.802,332 3.681,333 0.86,334 8.551,335 2.798,336 3.936,337 2.933,338 5.839,339 3.683,340 2.689,341 3.424,342 0.561,343 8.151,344 2.673,345 3.86,346 2.895,347 5.546,348 3.328,349 2.418,350 3.163,351 0.522,352 7.4,353 2.256,354 3.725,355 2.666,356 5.365,357 3.249,358 2.377,359 3.096,361 6.797,362 2.007,363 3.392,364 2.482,365 5.116,366 3.018,367 2.056,368 2.735,370 6.02,371 1.967,372 3.323,373 2.385,374 4.998,375 2.9,376 1.956,377 2.581,379 5.88,380 1.82,381 2.944,382 2.145,383 4.522,384 2.731,385 1.783,386 1.951,388 4.224,389 1.678,390 2.8,391 1.808,392 4.439,393 2.373,394 1.421,395 1.89,397 4.068,398 1.348,399 2.772,400 1.644,401 4.279,402 2.24,403 1.35,404 1.866,406 3.874,407 1.185,408 2.658,409 1.613,410 3.732,411 2.184,412 1.211,413 1.728,415 2.804,416 1.178,417 2.63,418 1.317,419 3.525,420 2.125,421 1.176,422 1.674,424 2.722,425 1.035,426 2.221,427 1.217,428 3.466,429 2.044,430 1.116,431 1.195,433 2.553,434 1.018,435 2.179,436 1.2,437 3.283,438 1.969,439 1,440 1.019,442 2.136,443 0.963,444 18.648,445 0.491,446 1.008,447 0.027,448 48,449 1.263,450 23.5,451 0.618,452 24.5,453 0.645,454 37.049,455 0.975,456 41.352,457 0.636,458 41.075,459 1.081,460 9.157,461 0.241,462 9.179,463 0.242,464 0.119,465 0.045,466 0.29,472 0.638,473 1.226,474 0.692,475 1.066,476 0.616,477 0.897,478 0.878,479 1.031,480 0.676,481 0.805,482 0.598,483 0.866,484 0.987,485 1.247,486 0.897,487 1.089,488 0.955,489 1.03,490 1.034,491 1.14,492 0.761,493 0.887,494 1.169,495 0.956,496 0.863,497 0.974,498 0.7,499 0.803,500 0.999,501 0.874,502 0.859,503 0.858,504 0.854,505 0.843,506 0.766,507 0.836,508 0.99,509 0.934,510 0.864,511 0.942,512 1.12,513 0.935,514 1,515 1.074,516 1.023,517 1.09,518 1.098,519 1.117,520 8.5,521 0.274,522 4.444,523 3.292,524 2.042,525 1.64,526 0.994,527 0.594,528 0.54,529 0.346,530 23622,531 74309,532 2.091,533 41.5,535 20,538 2,539 1,540 4,542 1.789,543 1.957,544 3.792,545 0.227,550 119.251,551 1.835,552 3.975,553 4.956,554 5.457,555 5.518,556 5.549,557 3.251,558 5.037,559 5.216,560 3.981,561 2798.29,562 9.199,563 46914.6,568 391.454,569 1.514,570 5.174,571 0.202,572 0.007,573 0.074,574 0.055,575 0.035,576 0.028,577 0.017,578 0.01,579 0.01,580 0.008,581 0.445,582 0.17,583 0.75,584 0.661,585 211.682,586 0.041,587 -0.058,588 0.121,589 -0.041,590 -0.092,591 0.024,592 0.065,593 0.057,594 0.157,595 0.155,596 0.156,597 0.052,598 -0.073,599 -0.213,600 0.001,601 -0.118,602 -0.06,603 -0.072,604 -0.015,605 -0.105,606 0.042,607 -0.018,608 -0.042,609 -0.035,610 0.123,611 0.055,612 0.121,613 0.058,614 0.07,615 0.054,616 0.014,617 0.18,618 0.032,619 0.116,620 0.067,621 0.135,622 -0.084,623 0.071,624 0.002,625 0.036,626 -0.072,627 0.043,628 -0.093,629 -0.095,630 -0.104,631 -0.08,632 -0.108,633 -0.121,634 4.812,635 6.021,636 0.684,637 47.224,638 1.017,639 1.12,640 3.062,641 9.379,642 0.701,643 3.761,644 4.111,645 4.382,646 4.663,647 4.868,648 4.963,649 5.118,650 5.257,651 5.398,652 5.513,653 8.412,654 0.664,655 575.16,656 3.761,657 5.323,658 6.18,659 7.074,660 7.951,661 8.851,662 9.738,663 10.643,664 11.537,665 12.445,666 6.2,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 65,705 24,706 2,707 42,709 69,710 26,711 17,712 5,713 7,717 5,718 6,719 1,724 2,725 1,727 2,729 18,730 8,731 1,733 3,736 1,737 3,741 1,747 27,748 8,749 2,750 12,751 3,755 4,760 0.8,761 5,769 1,775 2,776 3,779 1,783 1,795 1,796 4,799 2,801 1,802 1,805 38,808 1,810 6,811 2,812 2,814 1,820 1,824 1,825 7.7,828 3,829 1,830 1,832 19.417,833 11.793,834 8.264,835 3.741,836 3.779,837 1.448,838 1,839 8.477,840 12.215,841 4.034,842 4.673,843 5.23,844 5.83,845 6.301,846 6.644,847 7.045,848 7.477,849 7.836,850 8.197,851 0.9,852 60,853 14.41,854 6.54,855 7.874,856 26.836,857 22.585,859 2.374,860 90.194,864 294.278,865 176.757,866 52.855,867 39.149,868 91.458,870 37.085,871 139.672,872 424.884,873 52.855,874 10.883,875 36.476,876 91.094,877 118.23,878 28.637,879 43.621,880 325.555,882 294.278,883 192.528,884 91.458,885 76.234,887 247.193,888 127.542,889 11,891 39.926,892 119.534,893 38.875,894 70.426,895 294.278,896 144.313,897 215.906,899 5.807,900 294.278,901 74.781,902 97.946,903 34.416,904 147.269,905 294.278,906 144.313,907 215.906,909 0.585,910 0.343,911 0.186,912 0.101,913 29,914 13,915 0.13,916 9,917 1,918 1.077,919 4.767,920 377.348,921 0.077,922 26,923 193.421,924 1,927 1,928 27.25,929 11.821,930 6.303,931 1.269,932 142.536,933 16.322,934 4.612,937 0.969,938 3.057,939 1.733,940 34.416,941 654.497,942 55.5,945 -3.895,946 38.561,950 0.049,952 66.123,953 72.807,954 0.305,955 0.66,956 0.823,957 0.906,958 0.916,959 0.921,960 5.29,961 1.956,962 6.192,963 6.02,964 4.796,965 5.361,966 2.406,967 7.047,968 4.672,969 6.523,970 1.783,971 7.781,972 5.88,973 4.511,974 5.421,975 1.593,976 8.186,977 4.312,978 7.871,979 1.421,980 9.481,981 4.224,982 6.463,983 7.679,984 3.04,985 11.259,986 6.232,987 9.261,988 1.35,989 11.25,990 4.068,991 7.013,992 8.594,993 3.032,994 13.26,995 6.7,996 10.691,997 1.211,998 13.067,999 3.874,1000 8.463,1001 10.374,1002 4.074,1003 15.919,1004 8.112,1005 12.147,1006 1.176,1007 14.917,1008 2.804,1009 9.38,1010 11.653,1011 4.414,1012 18.244,1013 8.943,1014 13.626,1015 1.116,1016 16.793,1017 2.722,1018 10.654,1019 13.274,1020 5.265,1021 20.792,1022 10.167,1023 3.431,1024 1,1025 18.689,1026 2.553,1027 11.733,1028 14.709,1029 5.757,1030 23.235,1031 11.159,1032 3.227,1033 12.608,1034 20.601,1035 2.136,1036 12.95,1037 16.277,1038 6.512,1039 25.755,1040 12.314,1041 2.802,1042 11.652,1043 22.525,1044 4.768,1045 14.1,1046 17.776,1047 7.078,1048 28.241,1049 13.379,1050 2.689,1051 8.551,1052 24.459,1053 4.632,1054 15.303,1055 19.329,1056 7.783,1057 30.755,1058 14.511,1059 2.418,1060 8.151,1061 26.401,1062 3.681,1063 16.485,1064 20.856,1065 8.386,1066 33.259,1067 15.61,1068 2.377,1069 7.4,1070 28.35,1071 3.424,1072 17.688,1073 22.405,1074 9.064,1075 35.773,1076 16.738,1077 2.056,1078 6.797,1079 30.304,1080 3.163,1081 18.886,1082 23.945,1083 9.687,1084 38.285,1085 17.854,1086 22210,1087 39796,1088 28.027,1089 45.585,1090 63.375,1091 65.754,1092 64.846,1093 63.286,1094 63.199,1095 82.897,1096 9.424,1097 185.724,1098 58.994,1099 5.882,1100 6.689,1101 7.124,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.193,1108 18.89,1109 1.509,1110 1.566,1111 1.544,1112 1.507,1113 1.505,1114 1.974,1115 0.224,1116 4.422,1117 1.405,1118 4.17,1119 4.195,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.972,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.927,1131 3.952,1132 4.079,1133 3.859,1134 6.999,1135 3.855,1136 3.833,1137 3.868,1138 3.86,1139 3.69,1140 5.049,1141 3.692,1142 3.56,1143 3.557,1144 3.731,1145 3.528,1146 4.885,1147 3.423,1148 3.464,1149 3.511,1150 3.377,1151 3.257,1152 4.726,1153 3.269,1154 3.373,1155 3.42,1156 3.287,1157 3.131,1158 4.606,1159 3.151,1160 3.222,1161 3.288,1162 3.168,1163 2.991,1164 4.591,1165 2.996,1166 0.116,1167 0.112,1168 0.174,1169 0.104,1170 0.082,1171 4.882,1172 0.114,1173 4.689,1174 0.045,1175 7.322,1176 0.3,1177 4.347,1178 0.076,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.07,1187 2.069,1188 1.361,1189 2.07,1190 1.907,1191 1.89,1192 2.009,1193 2.011,1194 1.244,1195 2.013,1196 1.803,1197 1.78,1198 1.983,1199 1.969,1200 1.144,1201 1.98,1202 1.729,1203 1.761,1204 1.637,1205 1.838,1206 0.945,1207 1.882,1208 1.441,1209 1.406,1210 1.608,1211 1.676,1212 0.832,1213 1.668,1214 1.399,1215 1.366,1216 1.567,1217 1.575,1218 0.825,1219 1.56,1220 1.287,1221 1.231,1222 1.513,1223 1.501,1224 0.61,1225 1.527,1226 1.172,1227 1.094,1228 1.48,1229 1.45,1230 0.593,1231 1.478,1232 4.443,1233 5.784,1234 3.045,1235 7.31,1236 5.416,1237 8.92,1238 7.535,1239 10.576,1241 1.529,1242 5.957,1247 3.537,1248 5.636,1249 10.868,1251 -0.009,1257 43.183,1258 119.251,1259 258.395,1260 322.17,1261 354.699,1262 358.699,1263 360.699,1264 88.943,1265 8.436,1266 111.55,1267 148.17,1268 28,1269 12.964,1270 4.644,1271 3.858,1272 59.068,1273 188,1274 216,1275 0.148,1276 271.684,1277 466.74,1278 654.668,1279 62793,1280 1.5,1281 26.7,1282 0.703,1283 0.606,1284 27.804,1285 23.035,1286 18.336,1287 0.437,1288 0.352,1289 12.123,1290 16.242,1291 11.639,1292 9.572,1293 19.854,1294 14.766,1295 16.991,1296 0.283,1297 0.21,1298 19.566,1299 12.573,1300 14.031,1301 0.178,1302 0.12,1303 16.422,1304 9.449,1305 11.826,1306 0.113,1307 0.066,1308 14.025,1309 6.976,1310 9.428,1311 0.073,1312 0.039,1313 11.832,1314 5,1315 0.235,1316 130.994,1317 0.189,1318 34.594,1319 0.399,1320 204,1321 656.558,1322 314.366,1323 692.632,1324 924.44,1325 642,1326 241,1327 603.384,1328 340.641,1329 669.828,1330 983.11,1331 626,1332 7.5}
{0 CHEMBL2326620,1 1.86,2 13.806,3 4.18,4 17.472,5 144.608,6 8.841,7 0.538,8 4.236,9 4.336,10 4.079,11 3.827,12 5.34,13 3.777,14 4.77,15 4.92,16 4.493,17 4.223,18 6.034,19 4.149,20 4.964,21 5.13,22 4.49,23 4.3,24 6.147,25 4.228,26 5.074,27 5.262,28 4.466,29 4.3,30 6.288,31 4.23,32 5.08,33 5.289,34 4.478,35 4.304,36 6.267,37 4.229,38 5.061,39 5.266,40 4.43,41 4.347,42 6.21,43 4.255,44 5.048,45 5.23,46 4.451,47 4.373,48 6.22,49 4.281,50 5.07,51 5.253,52 4.368,53 4.368,54 6.194,55 4.242,56 0.173,57 0.96,58 13.011,59 6.037,60 19.731,61 6.638,62 0.601,63 1.509,64 30.89,65 10.749,66 67.819,67 11.54,68 0.604,69 1.769,70 35.418,71 12.526,72 59.747,73 14.149,74 0.884,75 1.885,76 40.635,77 12.983,78 93.566,79 15.028,80 0.943,81 1.878,82 39.908,83 12.99,84 98.864,85 15.695,86 0.846,87 1.883,88 41.796,89 14.06,90 82.684,91 16.457,92 0.681,93 1.831,94 39.046,95 14.457,96 84.75,97 16.284,98 0.74,99 1.812,100 41.839,101 15.548,102 87.203,103 17.395,104 58,105 56,106 0.295,107 0.636,108 0.795,109 0.879,110 0.889,111 0.894,112 3.616,113 1.057,114 -3.89,115 -3.84,116 -3.65,119 38.7,120 1,124 2,125 2,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 3,172 13,176 11,179 2,180 1,181 5,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 8,208 2,209 11,212 1,214 4,217 10,221 11,224 1,226 4,227 13,230 1,231 8,236 4,238 10,241 1,242 7,245 1,246 1,247 1,249 9,252 2638,253 23.936,254 23.936,255 23.936,256 23.936,257 23.936,258 21.031,259 30.865,260 13.8,261 24.858,262 19.103,263 19.103,264 19.103,265 19.103,266 19.103,267 14.461,268 41.025,269 6.378,270 20.556,271 4.095,272 1.953,273 0.948,274 0.424,275 0.359,276 0.327,277 4.303,280 1,283 1,284 1051,285 4.743,287 182.224,288 222.807,291 156.721,295 2.039,296 46.765,299 0.75,300 0.5,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.68,307 78.833,308 497,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.957,316 12.608,317 3.193,318 4.683,319 3.712,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.088,328 3.372,329 5.869,330 3.74,331 2.75,332 3.68,333 0.589,334 8.167,335 2.719,336 3.886,337 2.933,338 5.836,339 3.647,340 2.656,341 3.424,342 0.522,343 7.878,344 2.63,345 3.859,346 2.895,347 5.543,348 3.324,349 2.418,350 3.161,351 0.42,352 7.378,353 2.252,354 3.723,355 2.665,356 5.365,357 3.249,358 2.373,359 3.055,361 6.797,362 2.005,363 3.391,364 2.391,365 5.116,366 3.007,367 2.045,368 2.735,370 6.018,371 1.959,372 3.319,373 2.154,374 4.994,375 2.897,376 1.948,377 2.578,379 5.865,380 1.819,381 2.801,382 2.115,383 4.521,384 2.418,385 1.464,386 1.893,388 4.125,389 1.39,390 2.779,391 1.645,392 4.439,393 2.326,394 1.375,395 1.877,397 3.874,398 1.301,399 2.663,400 1.613,401 3.96,402 2.238,403 1.341,404 1.733,406 3.28,407 1.185,408 2.633,409 1.317,410 3.731,411 2.168,412 1.178,413 1.676,415 2.794,416 1.164,417 2.57,418 1.217,419 3.495,420 2.125,421 1.172,422 1.53,424 2.605,425 1.035,426 2.179,427 1.052,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.754,436 0.953,437 3.143,438 1.468,439 0.501,440 0.576,442 1.031,443 0.479,444 17.714,445 0.492,446 1.046,447 0.029,448 46.5,449 1.292,450 23.5,451 0.653,452 23,453 0.639,454 33.917,455 0.942,456 39.286,457 0.634,458 40.497,459 1.125,460 9.125,461 0.253,462 8.087,463 0.225,464 0.181,465 0.047,466 0.305,472 0.639,473 1.266,474 0.707,475 1.062,476 0.643,477 0.898,478 0.787,479 1.012,480 0.637,481 0.754,482 0.582,483 0.793,484 0.969,485 1.224,486 0.908,487 1.105,488 0.98,489 1.015,490 1.101,491 1.14,492 0.779,493 0.902,494 1.175,495 0.978,496 0.916,497 0.967,498 0.686,499 0.8,500 0.933,501 0.863,502 0.895,503 0.872,504 0.844,505 0.848,506 0.769,507 0.828,508 1.032,509 0.959,510 0.866,511 0.96,512 1.138,513 0.945,514 1.082,515 1.067,516 1.03,517 1.084,518 1.13,519 1.111,520 9,521 0.286,522 4.667,523 3.229,524 2.011,525 1.598,526 1.015,527 0.653,528 0.561,529 0.361,530 18685,531 61176,532 2.017,533 41.9,535 20,538 3,540 3,542 1.777,543 1.854,544 3.71,545 0.883,550 115.3,551 1.86,552 4.001,553 5.006,554 5.531,555 5.595,556 5.627,557 3.202,558 5.059,559 5.136,560 3.89,561 2450.59,562 9.049,563 39137.6,568 369.16,569 1.637,570 5.076,571 0.231,572 0.008,573 0.083,574 0.057,575 0.036,576 0.029,577 0.018,578 0.011,579 0.011,580 0.009,581 0.493,582 0.33,583 0.88,584 1.409,585 196.513,586 0.036,587 -0.066,588 0.119,589 -0.032,590 -0.124,591 0.025,592 0.121,593 0.104,594 0.214,595 0.21,596 0.177,597 0.127,598 -0.024,599 -0.157,600 0.001,601 -0.124,602 -0.04,603 -0.073,604 -0.025,605 -0.109,606 0.013,607 -0.033,608 -0.056,609 -0.069,610 0.062,611 0.037,612 0.128,613 0.062,614 0.041,615 0.074,616 0.023,617 0.152,618 0.038,619 0.114,620 0.071,621 0.14,622 -0.089,623 0.048,624 -0.003,625 0.018,626 -0.077,627 0.027,628 -0.112,629 -0.097,630 -0.104,631 -0.07,632 -0.124,633 -0.116,634 4.809,635 5.979,636 0.556,637 42.491,638 1.016,639 1.124,640 2.657,641 7.059,642 0.7,643 3.689,644 4.043,645 4.304,646 4.564,647 4.762,648 4.898,649 5.056,650 5.204,651 5.338,652 5.442,653 7.928,654 0.661,655 548.14,656 3.689,657 5.252,658 6.107,659 7.002,660 7.88,661 8.782,662 9.671,663 10.578,664 11.474,665 12.386,666 8.1,668 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 62,705 24,706 2,707 39,709 65,710 24,711 17,712 5,713 7,717 4,718 5,719 1,721 1,727 1,729 18,730 6,733 3,736 1,737 3,741 1,747 26,748 8,749 3,750 12,751 3,755 5,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,791 1,796 3,799 2,801 3,802 1,805 36,808 1,810 2,811 3,812 1,814 1,820 1,824 1,825 6.5,828 3,830 1,832 19.417,833 11.876,834 7.931,835 3.408,836 3.75,837 1.463,838 0.987,839 8.449,840 11.857,841 3.98,842 4.635,843 5.197,844 5.797,845 6.273,846 6.629,847 7.033,848 7.468,849 7.826,850 8.184,851 1,852 57,853 13.615,854 6.091,855 7.922,856 25.082,857 20.572,859 2.422,860 87.194,864 270.735,865 179.725,866 70.866,867 39.149,868 80.458,870 37.085,871 142.64,872 390.342,873 70.866,874 28.105,875 22.222,876 109.104,877 107.231,878 28.637,879 43.621,880 302.013,882 270.735,883 213.506,884 80.458,885 76.234,887 235.422,888 115.771,891 52.508,892 127.93,893 38.875,894 70.426,895 270.735,896 151.324,897 218.874,899 5.807,900 270.735,901 60.527,902 115.167,903 52.426,904 136.269,905 270.735,906 151.324,907 218.874,909 0.587,910 0.346,911 0.177,912 0.094,913 26,914 13,915 0.154,916 10,917 1,918 1.1,919 4.487,920 345.974,921 0.1,922 20,923 184.117,924 1,927 1,928 26.73,929 11.379,930 6.162,931 1.258,932 149.547,933 16.198,934 4.589,937 0.965,938 3.003,939 1.72,940 52.426,941 640.933,942 52.5,945 -3.893,946 38.046,950 -0.086,952 63.014,953 69.68,954 0.312,955 0.672,956 0.841,957 0.929,958 0.94,959 0.945,960 5.232,961 1.948,962 6.133,963 6.018,964 4.727,965 5.323,966 2.349,967 6.997,968 4.602,969 6.483,970 1.464,971 7.734,972 5.865,973 4.511,974 5.421,975 1.593,976 8.165,977 4.304,978 7.838,979 1.375,980 9.443,981 4.125,982 6.412,983 7.664,984 3.102,985 11.226,986 6.171,987 9.237,988 1.341,989 11.219,990 3.874,991 7.004,992 8.592,993 3.114,994 13.238,995 6.674,996 10.671,997 1.178,998 13.04,999 3.28,1000 8.425,1001 10.368,1002 4.227,1003 15.897,1004 8.056,1005 12.132,1006 1.172,1007 14.894,1008 2.794,1009 9.364,1010 11.652,1011 4.563,1012 18.228,1013 8.903,1014 13.613,1015 0.687,1016 16.772,1017 2.605,1018 10.626,1019 13.271,1020 5.475,1021 20.779,1022 10.114,1023 3.431,1024 0.501,1025 18.669,1026 1.671,1027 11.715,1028 14.707,1029 5.966,1030 23.225,1031 11.114,1032 3.227,1033 12.608,1034 20.582,1035 1.031,1036 12.928,1037 16.276,1038 6.771,1039 25.747,1040 12.263,1041 2.75,1042 11.652,1043 22.508,1044 4.768,1045 14.084,1046 17.776,1047 7.343,1048 28.236,1049 13.332,1050 2.656,1051 8.167,1052 24.443,1053 4.632,1054 15.286,1055 19.328,1056 8.089,1057 30.751,1058 14.463,1059 2.418,1060 7.878,1061 26.387,1062 3.68,1063 16.471,1064 20.856,1065 8.704,1066 33.256,1067 15.565,1068 2.373,1069 7.378,1070 28.337,1071 3.424,1072 17.675,1073 22.405,1074 9.418,1075 35.771,1076 16.693,1077 2.045,1078 6.797,1079 30.293,1080 3.161,1081 18.875,1082 23.945,1083 10.058,1084 38.283,1085 17.812,1086 18239,1087 33387,1088 25.255,1089 43.375,1090 58.622,1091 60.88,1092 61.367,1093 58.354,1094 58.255,1095 77.937,1096 8.694,1097 173.287,1098 54.355,1099 5.772,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.426,1106 20.175,1107 5.193,1108 21.932,1109 1.503,1110 1.561,1111 1.574,1112 1.496,1113 1.494,1114 1.998,1115 0.223,1116 4.443,1117 1.394,1118 4.17,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.97,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.918,1131 3.943,1132 4.079,1133 3.857,1134 6.999,1135 3.852,1136 3.722,1137 3.781,1138 3.855,1139 3.528,1140 5.049,1141 3.534,1142 3.56,1143 3.555,1144 3.627,1145 3.517,1146 4.885,1147 3.422,1148 3.438,1149 3.488,1150 3.362,1151 3.242,1152 4.726,1153 3.251,1154 3.31,1155 3.39,1156 3.175,1157 3.083,1158 4.596,1159 3.085,1160 3.221,1161 3.288,1162 3.154,1163 2.988,1164 4.349,1165 2.994,1166 0.125,1167 0.12,1168 0.188,1169 0.111,1170 0.088,1171 4.882,1172 0.122,1173 4.689,1174 0.05,1175 7.322,1176 0.323,1177 4.347,1178 0.082,1179 3.431,1180 4.768,1181 1.957,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.068,1188 1.246,1189 2.068,1190 1.906,1191 1.889,1192 1.988,1193 1.995,1194 1.147,1195 2.002,1196 1.73,1197 1.779,1198 1.878,1199 1.898,1200 1.033,1201 1.9,1202 1.656,1203 1.597,1204 1.633,1205 1.832,1206 0.944,1207 1.873,1208 1.434,1209 1.406,1210 1.608,1211 1.662,1212 0.823,1213 1.656,1214 1.392,1215 1.351,1216 1.576,1217 1.546,1218 0.612,1219 1.551,1220 1.256,1221 1.182,1222 1.554,1223 1.5,1224 0.606,1225 1.527,1226 1.172,1227 1.092,1228 1.465,1229 1.453,1230 0.584,1231 1.491,1232 4.369,1233 5.714,1234 3.045,1235 7.239,1236 5.416,1237 8.848,1238 7.535,1239 10.504,1241 5.052,1242 5.942,1247 0.77,1248 8.411,1249 5.506,1251 -0.286,1257 40.963,1258 115.3,1259 248.044,1260 310.366,1261 342.896,1262 346.896,1263 348.896,1264 89.898,1265 8.107,1266 114.35,1267 150.97,1268 22,1269 12.903,1270 4.644,1271 3.858,1272 62.015,1273 167,1274 202,1275 0.177,1276 262.69,1277 446.71,1278 632.724,1279 39037,1280 1.6,1281 25.872,1282 0.719,1283 0.619,1284 26.975,1285 22.299,1286 17.212,1287 0.441,1288 0.352,1289 11.108,1290 15.179,1291 10.534,1292 8.78,1293 18.73,1294 13.738,1295 15.979,1296 0.285,1297 0.209,1298 18.553,1299 11.697,1300 13.192,1301 0.181,1302 0.119,1303 15.583,1304 8.683,1305 10.574,1306 0.111,1307 0.065,1308 12.773,1309 6.156,1310 8.226,1311 0.071,1312 0.038,1313 10.63,1314 4.409,1315 0.28,1316 123.809,1317 0.199,1318 32.916,1319 0.484,1320 190,1321 613.155,1322 298.875,1323 658.565,1324 879.08,1325 608,1326 224,1327 575.874,1328 322.398,1329 644.775,1330 943.19,1331 601,1332 7.8}
{0 CHEMBL2326621,1 1.86,2 13.194,3 3.953,4 15.627,5 144.471,6 8.841,7 0.538,8 4.236,9 4.337,10 4.077,11 3.832,12 5.355,13 3.781,14 4.767,15 4.911,16 4.514,17 4.241,18 6.051,19 4.169,20 4.99,21 5.147,22 4.504,23 4.324,24 6.238,25 4.251,26 5.145,27 5.362,28 4.451,29 4.302,30 6.33,31 4.226,32 5.02,33 5.214,34 4.474,35 4.294,36 6.221,37 4.22,38 5.078,39 5.29,40 4.439,41 4.355,42 6.229,43 4.263,44 5.033,45 5.2,46 4.455,47 4.383,48 6.241,49 4.292,50 5.103,51 5.299,52 4.368,53 4.376,54 6.215,55 4.245,56 0.181,57 0.959,58 13.076,59 6.033,60 23.602,61 6.624,62 0.567,63 1.507,64 30.548,65 10.964,66 70.007,67 11.826,68 0.581,69 1.835,70 34.294,71 12.561,72 70.454,73 14.135,74 1.079,75 1.958,76 47.515,77 13.947,78 124.608,79 16.329,80 0.808,81 1.807,82 35.613,83 12.355,84 84.559,85 14.949,86 0.871,87 1.902,88 43.475,89 14.372,90 87.318,91 16.957,92 0.643,93 1.827,94 36.505,95 14.122,96 84.376,97 15.695,98 0.778,99 1.851,100 44.643,101 16.164,102 95.915,103 18.365,104 72,105 58,106 0.295,107 0.635,108 0.77,109 0.853,110 0.863,111 0.868,112 3.616,113 1.048,114 -3.89,115 -3.84,116 -3.65,119 38.7,120 2,124 1,125 2,129 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,156 1,157 1,158 1,159 1,163 9,165 1,166 6,169 4,171 4,172 14,174 2,176 12,178 1,179 2,180 1,181 6,182 1,183 5,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 9,207 1,208 2,209 11,212 1,214 4,217 12,219 2,221 11,224 1,226 4,227 15,229 2,230 1,231 8,236 4,238 11,240 1,241 1,242 8,244 1,245 1,246 1,247 1,249 9,252 2608,253 23.33,254 23.33,255 23.33,256 23.33,257 23.33,258 20.439,259 30.497,260 13.278,261 24.19,262 19.182,263 19.182,264 19.182,265 19.182,266 19.182,267 14.561,268 42.515,269 6.22,270 20.592,271 4.095,272 1.954,273 1.11,274 0.585,275 0.52,276 0.488,277 4.3,280 1,283 1,284 1002,285 4.95,287 182.048,288 222.577,291 156.548,295 1.994,296 49.473,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.64,307 78.833,308 475,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.955,316 12.608,317 3.238,318 4.683,319 3.973,320 7.053,321 4.273,322 3.285,323 4.632,324 0.86,325 11.652,326 3.193,327 4.376,328 3.372,329 6.925,330 4.168,331 3.227,332 3.683,333 0.575,334 11.338,335 2.971,336 4.078,337 2.937,338 5.839,339 3.699,340 2.707,341 3.501,342 0.522,343 8.157,344 2.685,345 3.86,346 2.895,347 5.549,348 3.331,349 2.418,350 3.424,351 0.138,352 7.409,353 2.259,354 3.727,355 2.683,356 5.365,357 3.249,358 2.381,359 3.158,361 6.797,362 2.008,363 3.393,364 2.553,365 5.116,366 3.022,367 2.058,368 2.735,370 6.023,371 1.969,372 3.33,373 2.378,374 5.002,375 2.9,376 1.955,377 2.59,379 5.893,380 1.82,381 2.882,382 2.144,383 4.525,384 2.567,385 1.578,386 1.915,388 4.222,389 1.547,390 2.799,391 1.645,392 4.44,393 2.358,394 1.401,395 1.886,397 4.028,398 1.335,399 2.763,400 1.613,401 4.366,402 2.239,403 1.346,404 1.82,406 3.874,407 1.185,408 2.656,409 1.317,410 3.732,411 2.171,412 1.178,413 1.72,415 2.796,416 1.169,417 2.629,418 1.217,419 3.5,420 2.125,421 1.174,422 1.673,424 2.619,425 1.035,426 2.179,427 1.051,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.747,436 0.953,437 3.143,438 1.428,439 0.47,440 0.535,442 0.995,443 0.426,444 17.714,445 0.492,446 1.283,447 0.036,448 46.25,449 1.285,450 23.5,451 0.653,452 22.75,453 0.632,454 35.274,455 0.98,456 39.286,457 0.634,458 40.488,459 1.125,460 8.856,461 0.246,462 8.118,463 0.226,464 0.204,465 0.075,466 0.277,472 0.652,473 1.196,474 0.712,475 1.032,476 0.71,477 0.876,478 0.725,479 1.046,480 0.598,481 0.765,482 0.565,483 0.779,484 0.982,485 1.343,486 0.956,487 1.204,488 0.989,489 1.145,490 1.183,491 0.942,492 0.744,493 0.741,494 1.265,495 0.827,496 0.803,497 1.067,498 0.691,499 0.889,500 0.781,501 0.94,502 0.874,503 0.823,504 0.81,505 0.8,506 0.734,507 0.77,508 1.058,509 1.034,510 0.915,511 1.035,512 1.171,513 1.038,514 1.041,515 1.017,516 0.986,517 1.033,518 1.069,519 1.056,520 10.5,521 0.329,522 4.889,523 3.229,524 2.091,525 1.709,526 1.097,527 0.731,528 0.594,529 0.385,530 18537,531 60916,532 1.994,533 41.9,535 16,538 4,540 6,542 1.777,543 1.815,544 3.653,545 1.578,550 115.3,551 1.86,552 4,553 4.845,554 5.369,555 5.434,556 5.466,557 3.116,558 4.927,559 5.138,560 3.869,561 2437.4,562 9.051,563 38845.8,568 369.16,569 1.747,570 5.06,571 0.269,572 0.009,573 0.084,574 0.057,575 0.038,576 0.031,577 0.019,578 0.013,579 0.012,580 0.009,581 0.541,582 0.17,583 0.88,584 1.288,585 196.271,586 0.023,587 0.006,588 0.113,589 -0.001,590 -0.159,591 0.048,592 0.158,593 0.06,594 0.246,595 0.208,596 0.196,597 0.151,598 -0.045,599 -0.255,600 -0.073,601 -0.238,602 -0.044,603 -0.22,604 -0.056,605 0.052,606 0.076,607 0.123,608 -0.092,609 0.097,610 0.107,611 -0.043,612 0.11,613 -0.017,614 0.071,615 -0.003,616 0.036,617 0.19,618 0.076,619 0.161,620 0.084,621 0.206,622 -0.114,623 -0.008,624 -0.068,625 -0.057,626 -0.114,627 -0.079,628 -0.087,629 -0.064,630 -0.055,631 -0.023,632 -0.1,633 -0.049,634 4.817,635 5.975,636 0.556,637 41.519,638 1.016,639 1.124,640 2.657,641 7.059,642 0.7,643 3.689,644 4.078,645 4.304,646 4.554,647 4.762,648 4.905,649 5.056,650 5.209,651 5.338,652 5.451,653 7.858,654 0.661,655 548.14,656 3.689,657 5.273,658 6.125,659 7.031,660 7.907,661 8.815,662 9.702,663 10.613,664 11.507,665 12.42,666 8.1,667 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 62,705 24,706 2,707 39,709 65,710 24,711 17,712 5,713 7,717 4,718 5,719 1,721 2,729 18,730 6,731 1,733 3,736 1,737 3,741 1,747 26,748 8,749 4,750 12,751 3,755 5,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,790 1,796 3,799 2,801 3,802 1,805 36,806 1,808 1,810 2,811 2,812 1,816 1,820 1,824 1,825 6.5,828 3,830 1,832 19.833,833 11.876,834 7.653,835 3.303,836 3.75,837 1.463,838 0.982,839 7.853,840 11.857,841 3.98,842 4.654,843 5.203,844 5.791,845 6.273,846 6.632,847 7.034,848 7.471,849 7.827,850 8.188,851 0.889,852 57,853 13.625,854 6.175,855 7.961,856 24.978,857 20.698,859 2.461,860 88.611,864 258.964,865 180.154,866 85.753,867 39.149,868 80.458,870 37.085,871 143.069,872 378.571,873 85.753,874 28.533,875 55.119,876 91.094,877 107.231,878 28.637,879 43.621,880 290.242,882 258.964,883 228.821,884 80.458,885 76.234,887 188.338,888 151.084,891 76.22,892 119.534,893 38.875,894 70.426,895 258.964,896 166.21,897 219.303,899 5.807,900 258.964,901 60.527,902 115.596,903 34.416,904 169.167,905 258.964,906 166.21,907 219.303,909 0.601,910 0.34,911 0.168,912 0.092,913 28,914 14,915 0.138,916 9,917 1,918 1.1,919 4.439,920 348.457,921 0.1,922 20,923 182.117,924 1,927 1,928 26.73,929 10.576,930 6.162,931 1.236,932 164.434,933 16.067,934 4.579,937 0.96,938 2.909,939 1.706,940 67.313,941 644.477,942 52.5,945 -3.901,946 38.067,950 -0.248,952 63.014,953 69.68,954 0.312,955 0.672,956 0.814,957 0.902,958 0.913,959 0.918,960 5.254,961 1.955,962 6.188,963 6.023,964 4.762,965 5.342,966 2.318,967 7.081,968 4.643,969 6.528,970 1.578,971 7.814,972 5.893,973 4.691,974 5.497,975 1.593,976 8.385,977 4.509,978 7.9,979 1.401,980 9.553,981 4.222,982 6.512,983 7.696,984 3.092,985 11.397,986 6.292,987 9.312,988 1.346,989 11.361,990 4.028,991 7.209,992 8.643,993 3.114,994 13.476,995 6.928,996 10.756,997 1.178,998 13.212,999 3.874,1000 8.6,1001 10.401,1002 4.217,1003 16.115,1004 8.283,1005 12.225,1006 1.174,1007 15.093,1008 2.796,1009 9.601,1010 11.686,1011 4.559,1012 18.463,1013 9.225,1014 13.712,1015 0.687,1016 16.995,1017 2.619,1018 10.858,1019 13.297,1020 5.465,1021 20.999,1022 10.441,1023 3.431,1024 0.47,1025 18.913,1026 1.671,1027 11.98,1028 14.73,1029 5.959,1030 23.443,1031 11.507,1032 3.285,1033 12.608,1034 20.843,1035 0.995,1036 13.195,1037 16.293,1038 6.76,1039 25.951,1040 12.676,1041 3.227,1042 11.652,1043 22.781,1044 4.768,1045 14.365,1046 17.79,1047 7.332,1048 28.429,1049 13.793,1050 2.707,1051 11.338,1052 24.727,1053 4.632,1054 15.57,1055 19.339,1056 8.076,1057 30.931,1058 14.949,1059 2.418,1060 8.157,1061 26.678,1062 3.683,1063 16.761,1064 20.865,1065 8.692,1066 33.424,1067 16.087,1068 2.381,1069 7.409,1070 28.633,1071 3.501,1072 17.965,1073 22.411,1074 9.403,1075 35.926,1076 17.241,1077 2.058,1078 6.797,1079 30.592,1080 3.424,1081 19.165,1082 23.95,1083 10.043,1084 38.427,1085 18.389,1086 18103,1087 33196,1088 24.849,1089 43.375,1090 60.175,1091 62.032,1092 61.387,1093 59.527,1094 59.455,1095 79.156,1096 8.098,1097 181.698,1098 55.645,1099 5.767,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.419,1106 20.175,1107 5.238,1108 23.414,1109 1.543,1110 1.591,1111 1.574,1112 1.526,1113 1.524,1114 2.03,1115 0.208,1116 4.659,1117 1.427,1118 4.17,1119 4.194,1120 4.794,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.92,1131 3.945,1132 4.079,1133 3.858,1134 6.999,1135 3.853,1136 3.756,1137 3.807,1138 3.857,1139 3.585,1140 5.051,1141 3.595,1142 3.56,1143 3.555,1144 3.666,1145 3.528,1146 5,1147 3.423,1148 3.439,1149 3.485,1150 3.363,1151 3.245,1152 4.885,1153 3.253,1154 3.291,1155 3.368,1156 3.173,1157 3.083,1158 4.724,1159 3.084,1160 3.22,1161 3.285,1162 3.143,1163 2.987,1164 4.595,1165 2.993,1166 0.125,1167 0.12,1168 0.188,1169 0.111,1170 0.088,1171 4.882,1172 0.122,1173 4.689,1174 0.05,1175 7.322,1176 0.323,1177 4.347,1178 0.083,1179 3.431,1180 4.768,1181 1.955,1182 12.608,1183 3.238,1184 1.966,1185 1.943,1186 2.068,1187 2.068,1188 1.246,1189 2.068,1190 1.906,1191 1.89,1192 1.989,1193 1.997,1194 1.147,1195 2.003,1196 1.731,1197 1.779,1198 1.916,1199 1.914,1200 1.052,1201 1.918,1202 1.705,1203 1.654,1204 1.631,1205 1.834,1206 0.944,1207 1.878,1208 1.435,1209 1.406,1210 1.607,1211 1.66,1212 0.824,1213 1.654,1214 1.393,1215 1.353,1216 1.563,1217 1.52,1218 0.608,1219 1.531,1220 1.246,1221 1.178,1222 1.466,1223 1.5,1224 0.586,1225 1.527,1226 1.168,1227 1.092,1228 1.417,1229 1.441,1230 0.556,1231 1.464,1232 4.369,1233 5.74,1234 3.045,1235 7.281,1236 5.416,1237 8.9,1238 7.535,1239 10.563,1241 4.813,1242 5.938,1245 5.848,1247 0.69,1248 5.417,1249 5.5,1253 -0.969,1257 40.963,1258 115.3,1259 247.996,1260 300.366,1261 332.896,1262 336.896,1263 338.896,1264 95.458,1265 8.107,1266 128.34,1267 164.96,1268 22,1269 12.937,1270 4.644,1271 3.858,1272 62.005,1273 166,1274 170,1275 0.179,1276 262.69,1277 446.71,1278 632.724,1279 38855,1280 1.6,1281 26.087,1282 0.725,1283 0.619,1284 27.191,1285 22.299,1286 16.975,1287 0.435,1288 0.349,1289 11.009,1290 14.996,1291 10.398,1292 8.671,1293 18.493,1294 13.622,1295 16.883,1296 0.291,1297 0.213,1298 19.457,1299 12.373,1300 13.033,1301 0.179,1302 0.115,1303 15.423,1304 8.428,1305 10.307,1306 0.11,1307 0.065,1308 12.507,1309 6.092,1310 8.176,1311 0.07,1312 0.038,1313 10.579,1314 4.388,1315 0.281,1316 122.077,1317 0.201,1318 32.855,1319 0.489,1320 194,1321 612.135,1322 302.848,1323 661.263,1324 881.42,1325 608,1326 228,1327 580.592,1328 326.564,1329 652.224,1330 952.07,1331 606,1332 7.8}
{0 CHEMBL2326622,1 1.826,2 14.632,3 4.748,4 22.546,5 152.001,6 8.7,7 0.5,8 4.304,9 4.404,10 4.132,11 3.906,12 5.363,13 3.855,14 4.864,15 5.011,16 4.547,17 4.325,18 6.078,19 4.244,20 5.111,21 5.301,22 4.535,23 4.404,24 6.204,25 4.316,26 5.164,27 5.37,28 4.509,29 4.362,30 6.32,31 4.286,32 5.117,33 5.319,34 4.521,35 4.343,36 6.312,37 4.275,38 5.114,39 5.317,40 4.461,41 4.395,42 6.256,43 4.304,44 5.107,45 5.295,46 4.489,47 4.431,48 6.242,49 4.336,50 5.128,51 5.313,52 4.422,53 4.439,54 6.224,55 4.314,56 0.165,57 1.022,58 14.13,59 6.507,60 20.098,61 7.302,62 0.573,63 1.66,64 32.671,65 11.875,66 68.051,67 13.105,68 0.646,69 2.013,70 42.428,71 14.722,72 67.313,73 17.416,74 0.896,75 2.048,76 46.024,77 14.409,78 95.846,79 17.226,80 0.939,81 1.959,82 40.925,83 13.258,84 101.084,85 15.916,86 0.872,87 1.986,88 43.672,89 14.624,90 89.814,91 17.092,92 0.664,93 1.939,94 41.884,95 15.419,96 84.559,97 17.707,98 0.712,99 1.932,100 44.097,101 16.493,102 86.252,103 18.753,104 27,105 60,106 0.286,107 0.623,108 0.788,109 0.888,110 0.898,111 0.902,112 3.668,113 1.066,114 -4.29,115 -4.23,116 -3.99,119 39.4,121 3,124 1,125 3,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 6,169 4,171 4,172 14,176 11,179 2,180 1,181 6,183 5,186 4,187 14,190 1,192 6,194 2,197 2,198 10,203 6,205 8,208 2,209 11,212 1,214 4,217 11,221 11,224 1,226 4,227 16,230 1,231 8,236 4,238 14,241 1,242 7,245 1,246 1,247 1,249 12,252 3056,253 25.634,254 25.634,255 25.634,256 25.634,257 25.634,258 22.729,259 32.446,260 15.013,261 26.531,262 20.703,263 20.703,264 20.703,265 20.703,266 20.703,267 16.067,268 43.525,269 7.074,270 22.167,271 4.219,272 2.069,273 1.012,274 0.375,275 0.314,276 0.284,277 4.37,280 1,283 1,284 1209,285 4.359,287 192.011,288 368.097,291 165.36,295 2.177,296 48.925,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 82.833,308 556,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.957,316 12.608,317 3.193,318 4.683,319 3.727,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.089,328 3.372,329 6.02,330 3.79,331 2.802,332 3.681,333 0.589,334 8.551,335 2.761,336 3.936,337 2.933,338 5.839,339 3.68,340 2.689,341 3.424,342 0.522,343 8.151,344 2.666,345 3.86,346 2.895,347 5.546,348 3.328,349 2.418,350 3.163,351 0.42,352 7.4,353 2.256,354 3.725,355 2.667,356 5.365,357 3.249,358 2.377,359 3.096,361 6.797,362 2.007,363 3.392,364 2.404,365 5.116,366 3.019,367 2.056,368 2.735,370 6.02,371 1.968,372 3.323,373 2.337,374 4.998,375 2.901,376 1.956,377 2.581,379 5.88,380 1.821,381 2.944,382 2.144,383 4.522,384 2.776,385 1.783,386 1.951,388 4.224,389 1.762,390 2.8,391 1.645,392 4.439,393 2.376,394 1.421,395 1.89,397 4.068,398 1.353,399 2.772,400 1.613,401 4.279,402 2.24,403 1.35,404 1.866,406 3.874,407 1.19,408 2.658,409 1.433,410 3.732,411 2.193,412 1.211,413 1.728,415 2.804,416 1.183,417 2.63,418 1.317,419 3.525,420 2.125,421 1.176,422 1.674,424 2.722,425 1.096,426 2.221,427 1.217,428 3.466,429 2.102,430 1.116,431 1.195,433 2.553,434 1.035,435 2.179,436 1.162,437 3.283,438 1.958,439 1,440 1.019,442 2.136,443 0.955,444 18.714,445 0.492,446 1.008,447 0.027,448 48,449 1.263,450 23.5,451 0.618,452 24.5,453 0.645,454 37.212,455 0.979,456 41.286,457 0.626,458 40.913,459 1.077,460 9.053,461 0.238,462 9.283,463 0.244,464 0.118,465 0.045,466 0.289,472 0.627,473 1.234,474 0.703,475 1.045,476 0.612,477 0.891,478 0.751,479 1.094,480 0.666,481 0.839,482 0.553,483 0.898,484 0.894,485 1.176,486 0.863,487 1.059,488 0.893,489 1,490 1.055,491 1.101,492 0.74,493 0.868,494 1.114,495 0.922,496 1.026,497 0.999,498 0.716,499 0.818,500 1.073,501 0.874,502 1.005,503 0.87,504 0.882,505 0.849,506 0.905,507 0.845,508 1.018,509 0.938,510 0.853,511 0.941,512 1.12,513 0.921,514 1.07,515 1.052,516 1.019,517 1.07,518 1.116,519 1.09,520 8.5,521 0.274,522 4.444,523 3.292,524 2.042,525 1.64,526 0.994,527 0.594,528 0.54,529 0.346,530 23622,531 70475,532 2.091,533 42.4,534 2,535 19,538 3,540 4,542 1.789,543 1.957,544 3.792,545 0.843,550 120.503,551 1.826,552 3.975,553 5.032,554 5.669,555 5.73,556 5.76,557 3.251,558 5.037,559 5.216,560 3.981,561 2798.29,562 9.199,563 46914.6,568 398.93,569 1.514,570 5.174,571 0.202,572 0.007,573 0.074,574 0.055,575 0.035,576 0.028,577 0.017,578 0.01,579 0.01,580 0.008,581 0.445,582 0.17,583 0.75,584 0.661,585 211.682,586 0.042,587 -0.043,588 0.12,589 -0.019,590 -0.095,591 0.037,592 0.126,593 0.017,594 0.164,595 0.119,596 0.182,597 0.026,598 0.01,599 -0.14,600 0.038,601 -0.093,602 -0.011,603 -0.038,604 0.014,605 -0.084,606 0.069,607 0.005,608 -0.017,609 0.001,610 0.038,611 0.023,612 0.105,613 0.045,614 0.021,615 0.047,616 -0.016,617 0.163,618 0.006,619 0.109,620 0.038,621 0.11,622 -0.074,623 0.064,624 0.018,625 0.039,626 -0.057,627 0.055,628 -0.102,629 -0.078,630 -0.093,631 -0.056,632 -0.11,633 -0.096,634 4.809,635 6.023,636 0.684,637 47.224,638 1.014,639 1.123,640 3.062,641 9.379,642 0.699,643 3.761,644 4.111,645 4.382,646 4.663,647 4.868,648 4.963,649 5.118,650 5.257,651 5.398,652 5.513,653 8.412,654 0.659,655 574.18,656 3.761,657 5.323,658 6.18,659 7.074,660 7.951,661 8.851,662 9.738,663 10.643,664 11.537,665 12.445,666 7.6,668 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 66,705 24,706 2,707 42,709 70,710 26,711 17,712 5,713 7,717 5,718 6,719 1,724 4,727 4,729 18,730 8,733 3,736 1,737 3,741 1,747 28,748 8,749 3,750 12,751 3,755 5,760 0.8,761 4,769 1,775 2,776 3,779 1,783 1,791 1,796 4,799 2,801 1,802 1,805 38,808 1,810 6,811 3,812 1,814 1,820 1,824 1,825 6.1,828 3,830 1,832 19.417,833 11.876,834 8.264,835 3.866,836 3.779,837 1.448,838 1.007,839 8.477,840 12.215,841 4.034,842 4.673,843 5.23,844 5.83,845 6.301,846 6.644,847 7.045,848 7.477,849 7.836,850 8.197,851 0.9,852 60,853 14.412,854 6.542,855 7.847,856 26.934,857 22.736,859 2.347,860 89.194,864 294.278,865 172.213,866 70.866,867 39.149,868 80.458,870 37.085,871 135.128,872 413.884,873 70.866,874 10.883,875 31.931,876 109.104,877 107.231,878 28.637,879 43.621,880 325.555,882 294.278,883 205.994,884 80.458,885 76.234,887 247.193,888 127.542,891 53.392,892 119.534,893 38.875,894 70.426,895 294.278,896 151.324,897 211.361,899 5.807,900 294.278,901 70.236,902 97.946,903 52.426,904 136.269,905 294.278,906 151.324,907 211.361,909 0.585,910 0.343,911 0.186,912 0.101,913 29,914 13,915 0.129,916 9,917 1,918 1.077,919 4.767,920 377.348,921 0.077,922 26,923 197.421,924 1,927 1,928 27.25,929 11.821,930 6.303,931 1.276,932 149.547,933 16.352,934 4.616,937 0.971,938 3.076,939 1.737,940 52.426,941 656.963,942 55.5,945 -3.893,946 38.559,950 0.018,952 66.898,953 74.096,954 0.302,955 0.658,956 0.833,957 0.938,958 0.948,959 0.953,960 5.29,961 1.956,962 6.192,963 6.02,964 4.796,965 5.361,966 2.349,967 7.047,968 4.677,969 6.523,970 1.783,971 7.781,972 5.88,973 4.511,974 5.421,975 1.593,976 8.186,977 4.304,978 7.871,979 1.421,980 9.481,981 4.224,982 6.463,983 7.679,984 3.102,985 11.259,986 6.231,987 9.261,988 1.35,989 11.25,990 4.068,991 7.013,992 8.594,993 3.114,994 13.26,995 6.685,996 10.691,997 1.211,998 13.067,999 3.874,1000 8.463,1001 10.374,1002 4.227,1003 15.919,1004 8.104,1005 12.147,1006 1.176,1007 14.917,1008 2.804,1009 9.38,1010 11.653,1011 4.563,1012 18.244,1013 8.924,1014 13.626,1015 1.116,1016 16.793,1017 2.722,1018 10.654,1019 13.274,1020 5.475,1021 20.792,1022 10.153,1023 3.431,1024 1,1025 18.689,1026 2.553,1027 11.733,1028 14.709,1029 5.966,1030 23.235,1031 11.139,1032 3.227,1033 12.608,1034 20.601,1035 2.136,1036 12.95,1037 16.277,1038 6.771,1039 25.755,1040 12.297,1041 2.802,1042 11.652,1043 22.525,1044 4.768,1045 14.1,1046 17.776,1047 7.343,1048 28.241,1049 13.359,1050 2.689,1051 8.551,1052 24.459,1053 4.632,1054 15.303,1055 19.329,1056 8.089,1057 30.755,1058 14.493,1059 2.418,1060 8.151,1061 26.401,1062 3.681,1063 16.485,1064 20.856,1065 8.704,1066 33.259,1067 15.591,1068 2.377,1069 7.4,1070 28.35,1071 3.424,1072 17.688,1073 22.405,1074 9.418,1075 35.773,1076 16.719,1077 2.056,1078 6.797,1079 30.304,1080 3.163,1081 18.886,1082 23.945,1083 10.058,1084 38.285,1085 17.835,1086 22210,1087 38854,1088 28.027,1089 46.137,1090 63.375,1091 65.5,1092 64.846,1093 63.303,1094 63.199,1095 82.897,1096 8.694,1097 185.724,1098 59.248,1099 5.882,1100 6.689,1101 7.124,1102 5.519,1103 5.431,1104 7.768,1105 3.426,1106 20.175,1107 5.193,1108 18.89,1109 1.509,1110 1.56,1111 1.544,1112 1.507,1113 1.505,1114 1.974,1115 0.207,1116 4.422,1117 1.411,1118 4.17,1119 4.195,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.974,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.928,1131 3.957,1132 4.079,1133 3.859,1134 6.999,1135 3.854,1136 3.843,1137 3.893,1138 3.86,1139 3.698,1140 5.049,1141 3.697,1142 3.56,1143 3.562,1144 3.736,1145 3.528,1146 4.885,1147 3.423,1148 3.486,1149 3.533,1150 3.387,1151 3.28,1152 4.726,1153 3.293,1154 3.397,1155 3.44,1156 3.315,1157 3.185,1158 4.596,1159 3.2,1160 3.224,1161 3.29,1162 3.168,1163 3.004,1164 4.356,1165 3,1166 0.116,1167 0.112,1168 0.174,1169 0.104,1170 0.082,1171 4.882,1172 0.114,1173 4.689,1174 0.047,1175 7.322,1176 0.3,1177 4.347,1178 0.076,1179 3.431,1180 4.768,1181 1.957,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.072,1187 2.07,1188 1.385,1189 2.071,1190 1.907,1191 1.89,1192 2.038,1193 2.023,1194 1.245,1195 2.029,1196 1.824,1197 1.78,1198 1.986,1199 1.979,1200 1.145,1201 1.992,1202 1.73,1203 1.765,1204 1.651,1205 1.839,1206 0.945,1207 1.883,1208 1.453,1209 1.407,1210 1.611,1211 1.688,1212 0.865,1213 1.682,1214 1.406,1215 1.382,1216 1.576,1217 1.598,1218 0.801,1219 1.586,1220 1.335,1221 1.284,1222 1.52,1223 1.501,1224 0.615,1225 1.527,1226 1.18,1227 1.11,1228 1.448,1229 1.454,1230 0.601,1231 1.487,1232 4.443,1233 5.784,1234 3.045,1235 7.31,1236 5.416,1237 8.92,1238 7.535,1239 10.576,1241 1.532,1242 5.959,1247 4.7,1248 8.899,1249 5.527,1251 -0.134,1257 43.489,1258 120.503,1259 262.362,1260 332.136,1261 374.175,1262 378.175,1263 380.175,1264 87.529,1265 8.436,1266 114.35,1267 150.97,1268 28,1269 12.964,1270 4.644,1271 3.858,1272 59.068,1273 188,1274 216,1275 0.148,1276 274.482,1277 468.95,1278 661.495,1279 62793,1280 1.5,1281 26.7,1282 0.703,1283 0.609,1284 27.804,1285 23.127,1286 18.336,1287 0.437,1288 0.355,1289 12.297,1290 16.32,1291 11.813,1292 9.759,1293 19.854,1294 14.922,1295 16.991,1296 0.283,1297 0.211,1298 19.566,1299 12.689,1300 14.031,1301 0.178,1302 0.12,1303 16.422,1304 9.483,1305 11.826,1306 0.113,1307 0.067,1308 14.025,1309 7.07,1310 9.428,1311 0.073,1312 0.04,1313 11.832,1314 5.145,1315 0.235,1316 130.448,1317 0.189,1318 34.594,1319 0.399,1320 204,1321 627.155,1322 313.208,1323 672.148,1324 901.64,1325 622,1326 241,1327 595.156,1328 339.898,1329 662.731,1330 973.03,1331 620,1332 7.8}
{0 CHEMBL2326623,1 1.882,2 14.632,3 3.519,4 12.382,5 148.934,6 9.002,7 0.5,8 4.288,9 4.38,10 4.14,11 3.868,12 5.377,13 3.831,14 4.843,15 4.979,16 4.552,17 4.276,18 6.093,19 4.215,20 5.053,21 5.222,22 4.54,23 4.352,24 6.205,25 4.284,26 5.115,27 5.305,28 4.514,29 4.325,30 6.332,31 4.261,32 5.081,33 5.277,34 4.52,35 4.318,36 6.282,37 4.257,38 5.098,39 5.294,40 4.463,41 4.37,42 6.26,43 4.289,44 5.077,45 5.255,46 4.494,47 4.402,48 6.244,49 4.318,50 5.113,51 5.294,52 4.427,53 4.403,54 6.231,55 4.29,56 0.205,57 0.995,58 12.755,59 6.264,60 22.001,61 6.623,62 0.724,63 1.591,64 31.123,65 11.272,66 73.719,67 11.493,68 0.81,69 1.892,70 38.025,71 13.463,72 69.795,73 14.937,74 1.098,75 1.94,76 42.201,77 13.548,78 105.381,79 15.612,80 0.986,81 1.891,82 37.917,83 12.836,84 95.959,85 15.088,86 1.017,87 1.937,88 42.326,89 14.194,90 93.963,91 16.005,92 0.766,93 1.879,94 39.067,95 14.793,96 86.813,97 16.409,98 0.887,99 1.873,100 43.09,101 16.05,102 92.633,103 17.604,104 27,105 60,106 0.296,107 0.642,108 0.799,109 0.889,110 0.899,111 0.904,112 3.668,113 1.036,114 -3.36,115 -3.34,116 -3.2,119 39.1,124 1,125 5,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 2,172 13,176 10,179 3,180 1,181 4,183 5,186 5,187 13,190 2,192 5,194 2,197 2,198 9,203 5,205 7,208 2,209 12,212 1,214 4,217 8,221 13,224 1,226 4,227 11,230 1,231 10,236 4,238 9,241 1,242 7,245 1,246 1,247 1,249 9,252 3056,253 25.634,254 25.634,255 25.634,256 25.634,257 25.634,258 22.729,259 33.669,260 15.013,261 26.67,262 20.703,263 20.703,264 20.703,265 20.703,266 20.703,267 16.067,268 44.96,269 7.074,270 22.373,271 4.118,272 1.924,273 0.926,274 0.356,275 0.293,276 0.262,277 4.37,280 1,283 1,284 1209,285 4.359,287 192.011,288 368.097,291 165.36,295 2.177,296 51.941,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.64,307 83.833,308 556,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.957,316 12.608,317 3.193,318 4.683,319 3.733,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.089,328 3.372,329 6.02,330 3.784,331 2.802,332 3.681,333 0.86,334 8.551,335 2.747,336 3.936,337 2.934,338 5.839,339 3.678,340 2.689,341 3.424,342 0.589,343 8.151,344 2.659,345 3.86,346 2.895,347 5.546,348 3.327,349 2.418,350 3.163,351 0.522,352 7.4,353 2.255,354 3.725,355 2.671,356 5.365,357 3.249,358 2.377,359 3.096,360 0.42,361 6.797,362 2.006,363 3.392,364 2.559,365 5.116,366 3.016,367 2.056,368 2.735,370 6.02,371 1.964,372 3.323,373 2.385,374 4.998,375 2.9,376 1.956,377 2.581,379 5.88,380 1.82,381 2.944,382 2.145,383 4.522,384 2.724,385 1.783,386 1.951,388 4.224,389 1.66,390 2.8,391 1.826,392 4.439,393 2.374,394 1.421,395 1.89,397 4.068,398 1.35,399 2.772,400 1.644,401 4.279,402 2.24,403 1.35,404 1.866,406 3.874,407 1.186,408 2.658,409 1.613,410 3.732,411 2.187,412 1.211,413 1.728,415 2.804,416 1.181,417 2.63,418 1.405,419 3.525,420 2.125,421 1.176,422 1.674,424 2.722,425 1.063,426 2.221,427 1.317,428 3.466,429 2.077,430 1.116,431 1.195,433 2.553,434 1.035,435 2.179,436 1.217,437 3.283,438 1.866,439 1,440 1.019,442 2.136,443 0.861,444 18.548,445 0.488,446 1.008,447 0.027,448 48.5,449 1.276,450 23.5,451 0.618,452 25,453 0.658,454 35.813,455 0.942,456 41.452,457 0.648,458 42.312,459 1.113,460 9.544,461 0.251,462 8.792,463 0.231,464 0.119,465 0.045,466 0.291,472 0.68,473 1.265,474 0.691,475 1.065,476 0.633,477 0.883,478 0.938,479 1.052,480 0.684,481 0.785,482 0.626,483 0.842,484 0.979,485 1.178,486 0.914,487 1.072,488 0.962,489 1.019,490 0.959,491 1.101,492 0.754,493 0.877,494 1.103,495 0.951,496 0.889,497 1.029,498 0.702,499 0.844,500 0.947,501 0.898,502 0.992,503 0.857,504 0.894,505 0.837,506 0.915,507 0.843,508 0.971,509 0.97,510 0.866,511 0.973,512 1.118,513 0.955,514 1.071,515 1.032,516 1.021,517 1.051,518 1.117,519 1.075,520 8.5,521 0.274,522 4.444,523 3.292,524 2.042,525 1.64,526 0.994,527 0.594,528 0.54,529 0.346,530 23622,531 76607,532 2.091,533 40.6,535 23,538 3,542 1.789,543 1.957,544 3.792,545 0.869,550 120.473,551 1.882,552 4.076,553 5.074,554 5.644,555 5.707,556 5.738,557 3.251,558 5.037,559 5.216,560 3.981,561 2798.29,562 9.199,563 46914.6,568 384,569 1.514,570 5.174,571 0.202,572 0.007,573 0.074,574 0.055,575 0.035,576 0.028,577 0.017,578 0.01,579 0.01,580 0.008,581 0.445,582 0.33,583 0.63,584 0.661,585 211.682,586 0.013,587 -0.074,588 0.116,589 -0.041,590 -0.108,591 0.026,592 0.021,593 0.055,594 0.148,595 0.17,596 0.134,597 0.061,598 -0.039,599 -0.126,600 -0.012,601 -0.103,602 -0.05,603 -0.075,604 0.06,605 -0.08,606 0.051,607 -0.001,608 0.005,609 -0.027,610 0.042,611 -0.01,612 0.114,613 0.024,614 0.04,615 0.04,616 -0.051,617 0.174,618 -0.007,619 0.122,620 0.019,621 0.119,622 -0.083,623 0.038,625 0.009,626 -0.067,627 0.025,628 -0.121,629 -0.066,630 -0.089,631 -0.036,632 -0.118,633 -0.073,634 4.818,635 6.016,636 0.684,637 47.224,638 1.021,639 1.123,640 2.13,641 4.539,642 0.7,643 3.761,644 4.111,645 4.382,646 4.663,647 4.868,648 4.963,649 5.118,650 5.257,651 5.398,652 5.513,653 8.412,654 0.667,655 576.15,656 3.761,657 5.323,658 6.18,659 7.074,660 7.951,661 8.851,662 9.738,663 10.643,664 11.537,665 12.445,666 7.8,668 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 64,705 24,706 2,707 42,709 68,710 25,711 17,712 5,713 7,717 5,718 6,719 1,724 1,727 1,729 18,730 7,733 3,736 1,737 3,741 1,747 26,748 9,749 3,750 13,751 3,755 5,760 0.8,761 5,769 1,775 2,776 3,779 1,783 1,791 1,795 1,796 4,799 2,801 1,802 1,805 38,808 1,810 5,811 3,812 2,814 1,820 1,824 1,825 7.8,828 3,829 1,830 1,832 19.417,833 11.543,834 8.264,835 3.533,836 3.779,837 1.448,838 1.003,839 8.448,840 12.215,841 4.034,842 4.673,843 5.23,844 5.83,845 6.301,846 6.644,847 7.045,848 7.477,849 7.836,850 8.197,851 0.9,852 60,853 14.397,854 6.535,855 7.9,856 26.652,857 22.275,859 2.4,860 91.194,864 270.735,865 173.794,866 70.866,867 39.149,868 91.458,870 37.085,871 136.709,872 401.342,873 70.866,874 10.883,875 33.513,876 109.104,877 118.23,878 28.637,879 43.621,880 302.013,882 270.735,883 207.575,884 91.458,885 76.234,887 270.735,888 80.458,889 11,891 54.973,892 119.534,893 38.875,894 70.426,895 270.735,896 162.324,897 212.943,899 5.807,900 270.735,901 71.817,902 97.946,903 52.426,904 147.269,905 270.735,906 162.324,907 212.943,909 0.585,910 0.343,911 0.186,912 0.101,913 29,914 13,915 0.132,916 9,917 1,918 1.077,919 4.767,920 377.348,921 0.077,922 26,923 197.421,924 1,927 1,928 27.213,929 11.797,930 6.287,931 1.25,932 160.547,933 16.201,934 4.602,937 0.964,938 2.974,939 1.72,940 52.426,941 646.002,942 55.5,945 -3.902,946 38.464,950 -0.107,952 65.342,953 71.89,954 0.314,955 0.679,956 0.846,957 0.941,958 0.951,959 0.956,960 5.29,961 1.956,962 6.192,963 6.02,964 4.796,965 5.361,966 2.481,967 7.047,968 4.663,969 6.523,970 1.783,971 7.781,972 5.88,973 4.511,974 5.421,975 1.593,976 8.186,977 4.304,978 7.871,979 1.421,980 9.481,981 4.224,982 6.463,983 7.679,984 3.15,985 11.259,986 6.214,987 9.261,988 1.35,989 11.25,990 4.068,991 7.013,992 8.594,993 3.114,994 13.26,995 6.683,996 10.691,997 1.211,998 13.067,999 3.874,1000 8.463,1001 10.374,1002 4.238,1003 15.919,1004 8.088,1005 12.147,1006 1.176,1007 14.917,1008 2.804,1009 9.38,1010 11.653,1011 4.563,1012 18.244,1013 8.919,1014 13.626,1015 1.116,1016 16.793,1017 2.722,1018 10.654,1019 13.274,1020 5.478,1021 20.792,1022 10.14,1023 3.431,1024 1,1025 18.689,1026 2.553,1027 11.733,1028 14.709,1029 5.966,1030 23.235,1031 11.133,1032 3.227,1033 12.608,1034 20.601,1035 2.136,1036 12.95,1037 16.277,1038 6.772,1039 25.755,1040 12.286,1041 2.802,1042 11.652,1043 22.525,1044 4.768,1045 14.1,1046 17.776,1047 7.343,1048 28.241,1049 13.351,1050 2.689,1051 8.551,1052 24.459,1053 4.632,1054 15.303,1055 19.329,1056 8.089,1057 30.755,1058 14.483,1059 2.418,1060 8.151,1061 26.401,1062 3.681,1063 16.485,1064 20.856,1065 8.704,1066 33.259,1067 15.583,1068 2.377,1069 7.4,1070 28.35,1071 3.424,1072 17.688,1073 22.405,1074 9.418,1075 35.773,1076 16.711,1077 2.056,1078 6.797,1079 30.304,1080 3.163,1081 18.886,1082 23.945,1083 10.058,1084 38.285,1085 17.828,1086 22210,1087 40358,1088 28.027,1089 44.83,1090 63.375,1091 65.73,1092 64.846,1093 63.261,1094 63.199,1095 82.897,1096 10.414,1097 185.724,1098 58.71,1099 5.882,1100 6.689,1101 7.124,1102 5.519,1103 5.431,1104 7.768,1105 3.426,1106 20.175,1107 5.193,1108 18.89,1109 1.509,1110 1.565,1111 1.544,1112 1.506,1113 1.505,1114 1.974,1115 0.248,1116 4.422,1117 1.398,1118 4.17,1119 4.194,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.923,1131 3.948,1132 4.079,1133 3.857,1134 6.999,1135 3.853,1136 3.803,1137 3.848,1138 3.858,1139 3.59,1140 5.049,1141 3.613,1142 3.56,1143 3.558,1144 3.71,1145 3.528,1146 4.885,1147 3.423,1148 3.469,1149 3.519,1150 3.378,1151 3.26,1152 4.727,1153 3.272,1154 3.386,1155 3.432,1156 3.296,1157 3.161,1158 4.635,1159 3.176,1160 3.223,1161 3.289,1162 3.168,1163 3.003,1164 4.594,1165 2.999,1166 0.116,1167 0.112,1168 0.174,1169 0.104,1170 0.082,1171 4.882,1172 0.114,1173 4.689,1174 0.047,1175 7.322,1176 0.3,1177 4.347,1178 0.076,1179 3.431,1180 4.768,1181 1.957,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.069,1188 1.247,1189 2.069,1190 1.906,1191 1.89,1192 1.988,1193 2.003,1194 1.175,1195 2.004,1196 1.732,1197 1.779,1198 1.916,1199 1.959,1200 1.141,1201 1.952,1202 1.719,1203 1.672,1204 1.644,1205 1.838,1206 0.945,1207 1.881,1208 1.443,1209 1.406,1210 1.611,1211 1.68,1212 0.862,1213 1.673,1214 1.401,1215 1.368,1216 1.575,1217 1.588,1218 0.799,1219 1.577,1220 1.319,1221 1.262,1222 1.52,1223 1.501,1224 0.608,1225 1.527,1226 1.18,1227 1.109,1228 1.429,1229 1.454,1230 0.585,1231 1.486,1232 4.443,1233 5.784,1234 3.045,1235 7.31,1236 5.416,1237 8.92,1238 7.535,1239 10.576,1241 1.524,1242 5.953,1247 2.344,1248 8.684,1249 10.879,1251 -0.357,1257 42.677,1258 120.473,1259 260.883,1260 324.716,1261 361.245,1262 365.245,1263 367.245,1264 87.148,1265 8.436,1266 123.58,1267 160.2,1268 28,1269 12.964,1270 4.644,1271 3.858,1272 59.068,1273 188,1274 216,1275 0.148,1276 268.885,1277 460.44,1278 647.841,1279 62793,1280 1.6,1281 26.7,1282 0.703,1283 0.601,1284 27.804,1285 22.828,1286 18.336,1287 0.437,1288 0.345,1289 11.835,1290 16.182,1291 11.37,1292 9.35,1293 19.854,1294 14.5,1295 16.991,1296 0.283,1297 0.204,1298 19.566,1299 12.268,1300 14.031,1301 0.178,1302 0.115,1303 16.422,1304 9.095,1305 11.826,1306 0.113,1307 0.064,1308 14.025,1309 6.728,1310 9.428,1311 0.073,1312 0.038,1313 11.832,1314 4.849,1315 0.235,1316 131.448,1317 0.189,1318 34.594,1319 0.399,1320 204,1321 670.891,1322 316.087,1323 705.309,1324 941.08,1325 654,1326 241,1327 614.792,1328 342.998,1329 680.869,1330 1000.39,1331 636,1332 7.6}
{0 CHEMBL2326624,1 1.882,2 14.632,3 3.519,4 12.382,5 148.934,6 9.002,7 0.5,8 4.288,9 4.38,10 4.14,11 3.868,12 5.377,13 3.831,14 4.843,15 4.979,16 4.552,17 4.276,18 6.093,19 4.215,20 5.053,21 5.222,22 4.54,23 4.352,24 6.205,25 4.284,26 5.115,27 5.305,28 4.514,29 4.325,30 6.332,31 4.261,32 5.081,33 5.277,34 4.52,35 4.318,36 6.282,37 4.257,38 5.098,39 5.294,40 4.463,41 4.37,42 6.26,43 4.289,44 5.077,45 5.255,46 4.494,47 4.402,48 6.244,49 4.318,50 5.113,51 5.294,52 4.427,53 4.403,54 6.231,55 4.29,56 0.205,57 0.995,58 12.755,59 6.264,60 22.001,61 6.623,62 0.724,63 1.591,64 31.123,65 11.272,66 73.719,67 11.493,68 0.81,69 1.892,70 38.025,71 13.463,72 69.795,73 14.937,74 1.098,75 1.94,76 42.201,77 13.548,78 105.381,79 15.612,80 0.986,81 1.891,82 37.917,83 12.836,84 95.959,85 15.088,86 1.017,87 1.937,88 42.326,89 14.194,90 93.963,91 16.005,92 0.766,93 1.879,94 39.067,95 14.793,96 86.813,97 16.409,98 0.887,99 1.873,100 43.09,101 16.05,102 92.633,103 17.604,104 27,105 60,106 0.296,107 0.642,108 0.799,109 0.889,110 0.899,111 0.904,112 3.668,113 1.036,114 -3.36,115 -3.34,116 -3.2,119 39.1,124 1,125 5,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 2,172 13,176 10,179 3,180 1,181 4,183 5,186 5,187 13,190 2,192 5,194 2,197 2,198 9,203 5,205 7,208 2,209 12,212 1,214 4,217 8,221 13,224 1,226 4,227 11,230 1,231 10,236 4,238 9,241 1,242 7,245 1,246 1,247 1,249 9,252 3056,253 25.634,254 25.634,255 25.634,256 25.634,257 25.634,258 22.729,259 33.669,260 15.013,261 26.67,262 20.703,263 20.703,264 20.703,265 20.703,266 20.703,267 16.067,268 44.96,269 7.074,270 22.373,271 4.118,272 1.924,273 0.926,274 0.356,275 0.293,276 0.262,277 4.37,280 1,283 1,284 1209,285 4.359,287 192.011,288 368.097,291 165.36,295 2.177,296 51.941,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.64,307 83.833,308 556,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.957,316 12.608,317 3.193,318 4.683,319 3.733,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.089,328 3.372,329 6.02,330 3.784,331 2.802,332 3.681,333 0.86,334 8.551,335 2.747,336 3.936,337 2.934,338 5.839,339 3.678,340 2.689,341 3.424,342 0.589,343 8.151,344 2.659,345 3.86,346 2.895,347 5.546,348 3.327,349 2.418,350 3.163,351 0.522,352 7.4,353 2.255,354 3.725,355 2.671,356 5.365,357 3.249,358 2.377,359 3.096,360 0.42,361 6.797,362 2.006,363 3.392,364 2.559,365 5.116,366 3.016,367 2.056,368 2.735,370 6.02,371 1.964,372 3.323,373 2.385,374 4.998,375 2.9,376 1.956,377 2.581,379 5.88,380 1.82,381 2.944,382 2.145,383 4.522,384 2.724,385 1.783,386 1.951,388 4.224,389 1.66,390 2.8,391 1.826,392 4.439,393 2.374,394 1.421,395 1.89,397 4.068,398 1.35,399 2.772,400 1.644,401 4.279,402 2.24,403 1.35,404 1.866,406 3.874,407 1.186,408 2.658,409 1.613,410 3.732,411 2.187,412 1.211,413 1.728,415 2.804,416 1.181,417 2.63,418 1.405,419 3.525,420 2.125,421 1.176,422 1.674,424 2.722,425 1.063,426 2.221,427 1.317,428 3.466,429 2.077,430 1.116,431 1.195,433 2.553,434 1.035,435 2.179,436 1.217,437 3.283,438 1.866,439 1,440 1.019,442 2.136,443 0.861,444 18.548,445 0.488,446 1.008,447 0.027,448 48.5,449 1.276,450 23.5,451 0.618,452 25,453 0.658,454 35.813,455 0.942,456 41.452,457 0.648,458 42.312,459 1.113,460 9.544,461 0.251,462 8.792,463 0.231,464 0.119,465 0.045,466 0.291,472 0.68,473 1.265,474 0.691,475 1.065,476 0.633,477 0.883,478 0.938,479 1.052,480 0.684,481 0.785,482 0.626,483 0.842,484 0.979,485 1.178,486 0.914,487 1.072,488 0.962,489 1.019,490 0.959,491 1.101,492 0.754,493 0.877,494 1.103,495 0.951,496 0.889,497 1.029,498 0.702,499 0.844,500 0.947,501 0.898,502 0.992,503 0.857,504 0.894,505 0.837,506 0.915,507 0.843,508 0.971,509 0.97,510 0.866,511 0.973,512 1.118,513 0.955,514 1.071,515 1.032,516 1.021,517 1.051,518 1.117,519 1.075,520 8.5,521 0.274,522 4.444,523 3.292,524 2.042,525 1.64,526 0.994,527 0.594,528 0.54,529 0.346,530 23622,531 76607,532 2.091,533 40.6,535 23,538 3,542 1.789,543 1.957,544 3.792,545 0.869,550 120.473,551 1.882,552 4.076,553 5.074,554 5.644,555 5.707,556 5.738,557 3.251,558 5.037,559 5.216,560 3.981,561 2798.29,562 9.199,563 46914.6,568 384,569 1.514,570 5.174,571 0.202,572 0.007,573 0.074,574 0.055,575 0.035,576 0.028,577 0.017,578 0.01,579 0.01,580 0.008,581 0.445,582 0.33,583 0.63,584 0.661,585 211.682,586 0.013,587 -0.074,588 0.116,589 -0.041,590 -0.108,591 0.026,592 0.021,593 0.055,594 0.148,595 0.17,596 0.134,597 0.061,598 -0.039,599 -0.126,600 -0.012,601 -0.103,602 -0.05,603 -0.075,604 0.06,605 -0.08,606 0.051,607 -0.001,608 0.005,609 -0.027,610 0.042,611 -0.01,612 0.114,613 0.024,614 0.04,615 0.04,616 -0.051,617 0.174,618 -0.007,619 0.122,620 0.019,621 0.119,622 -0.083,623 0.038,625 0.009,626 -0.067,627 0.025,628 -0.121,629 -0.066,630 -0.089,631 -0.036,632 -0.118,633 -0.073,634 4.818,635 6.016,636 0.684,637 47.224,638 1.021,639 1.123,640 2.13,641 4.539,642 0.7,643 3.761,644 4.111,645 4.382,646 4.663,647 4.868,648 4.963,649 5.118,650 5.257,651 5.398,652 5.513,653 8.412,654 0.667,655 576.15,656 3.761,657 5.323,658 6.18,659 7.074,660 7.951,661 8.851,662 9.738,663 10.643,664 11.537,665 12.445,666 7.8,668 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 64,705 24,706 2,707 42,709 68,710 25,711 17,712 5,713 7,717 5,718 6,719 1,724 1,727 1,729 18,730 7,733 3,736 1,737 3,741 1,747 26,748 9,749 3,750 13,751 3,755 5,760 0.8,761 5,769 1,775 2,776 3,779 1,783 1,791 1,795 1,796 4,799 2,801 1,802 1,805 38,808 1,810 5,811 3,812 2,814 1,820 1,824 1,825 7.8,828 3,829 1,830 1,832 19.417,833 11.543,834 8.264,835 3.533,836 3.779,837 1.448,838 1.003,839 8.448,840 12.215,841 4.034,842 4.673,843 5.23,844 5.83,845 6.301,846 6.644,847 7.045,848 7.477,849 7.836,850 8.197,851 0.9,852 60,853 14.397,854 6.535,855 7.9,856 26.652,857 22.275,859 2.4,860 91.194,864 270.735,865 173.794,866 70.866,867 39.149,868 91.458,870 37.085,871 136.709,872 401.342,873 70.866,874 10.883,875 33.513,876 109.104,877 118.23,878 28.637,879 43.621,880 302.013,882 270.735,883 207.575,884 91.458,885 76.234,887 270.735,888 80.458,889 11,891 54.973,892 119.534,893 38.875,894 70.426,895 270.735,896 162.324,897 212.943,899 5.807,900 270.735,901 71.817,902 97.946,903 52.426,904 147.269,905 270.735,906 162.324,907 212.943,909 0.585,910 0.343,911 0.186,912 0.101,913 29,914 13,915 0.132,916 9,917 1,918 1.077,919 4.767,920 377.348,921 0.077,922 26,923 197.421,924 1,927 1,928 27.213,929 11.797,930 6.287,931 1.25,932 160.547,933 16.201,934 4.602,937 0.964,938 2.974,939 1.72,940 52.426,941 646.002,942 55.5,945 -3.902,946 38.464,950 -0.107,952 65.342,953 71.89,954 0.314,955 0.679,956 0.846,957 0.941,958 0.951,959 0.956,960 5.29,961 1.956,962 6.192,963 6.02,964 4.796,965 5.361,966 2.481,967 7.047,968 4.663,969 6.523,970 1.783,971 7.781,972 5.88,973 4.511,974 5.421,975 1.593,976 8.186,977 4.304,978 7.871,979 1.421,980 9.481,981 4.224,982 6.463,983 7.679,984 3.15,985 11.259,986 6.214,987 9.261,988 1.35,989 11.25,990 4.068,991 7.013,992 8.594,993 3.114,994 13.26,995 6.683,996 10.691,997 1.211,998 13.067,999 3.874,1000 8.463,1001 10.374,1002 4.238,1003 15.919,1004 8.088,1005 12.147,1006 1.176,1007 14.917,1008 2.804,1009 9.38,1010 11.653,1011 4.563,1012 18.244,1013 8.919,1014 13.626,1015 1.116,1016 16.793,1017 2.722,1018 10.654,1019 13.274,1020 5.478,1021 20.792,1022 10.14,1023 3.431,1024 1,1025 18.689,1026 2.553,1027 11.733,1028 14.709,1029 5.966,1030 23.235,1031 11.133,1032 3.227,1033 12.608,1034 20.601,1035 2.136,1036 12.95,1037 16.277,1038 6.772,1039 25.755,1040 12.286,1041 2.802,1042 11.652,1043 22.525,1044 4.768,1045 14.1,1046 17.776,1047 7.343,1048 28.241,1049 13.351,1050 2.689,1051 8.551,1052 24.459,1053 4.632,1054 15.303,1055 19.329,1056 8.089,1057 30.755,1058 14.483,1059 2.418,1060 8.151,1061 26.401,1062 3.681,1063 16.485,1064 20.856,1065 8.704,1066 33.259,1067 15.583,1068 2.377,1069 7.4,1070 28.35,1071 3.424,1072 17.688,1073 22.405,1074 9.418,1075 35.773,1076 16.711,1077 2.056,1078 6.797,1079 30.304,1080 3.163,1081 18.886,1082 23.945,1083 10.058,1084 38.285,1085 17.828,1086 22210,1087 40358,1088 28.027,1089 44.83,1090 63.375,1091 65.73,1092 64.846,1093 63.261,1094 63.199,1095 82.897,1096 10.414,1097 185.724,1098 58.71,1099 5.882,1100 6.689,1101 7.124,1102 5.519,1103 5.431,1104 7.768,1105 3.426,1106 20.175,1107 5.193,1108 18.89,1109 1.509,1110 1.565,1111 1.544,1112 1.506,1113 1.505,1114 1.974,1115 0.248,1116 4.422,1117 1.398,1118 4.17,1119 4.194,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.971,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.923,1131 3.948,1132 4.079,1133 3.857,1134 6.999,1135 3.853,1136 3.803,1137 3.848,1138 3.858,1139 3.59,1140 5.049,1141 3.613,1142 3.56,1143 3.558,1144 3.71,1145 3.528,1146 4.885,1147 3.423,1148 3.469,1149 3.519,1150 3.378,1151 3.26,1152 4.727,1153 3.272,1154 3.386,1155 3.432,1156 3.296,1157 3.161,1158 4.635,1159 3.176,1160 3.223,1161 3.289,1162 3.168,1163 3.003,1164 4.594,1165 2.999,1166 0.116,1167 0.112,1168 0.174,1169 0.104,1170 0.082,1171 4.882,1172 0.114,1173 4.689,1174 0.047,1175 7.322,1176 0.3,1177 4.347,1178 0.076,1179 3.431,1180 4.768,1181 1.957,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.069,1188 1.247,1189 2.069,1190 1.906,1191 1.89,1192 1.988,1193 2.003,1194 1.175,1195 2.004,1196 1.732,1197 1.779,1198 1.916,1199 1.959,1200 1.141,1201 1.952,1202 1.719,1203 1.672,1204 1.644,1205 1.838,1206 0.945,1207 1.881,1208 1.443,1209 1.406,1210 1.611,1211 1.68,1212 0.862,1213 1.673,1214 1.401,1215 1.368,1216 1.575,1217 1.588,1218 0.799,1219 1.577,1220 1.319,1221 1.262,1222 1.52,1223 1.501,1224 0.608,1225 1.527,1226 1.18,1227 1.109,1228 1.429,1229 1.454,1230 0.585,1231 1.486,1232 4.443,1233 5.784,1234 3.045,1235 7.31,1236 5.416,1237 8.92,1238 7.535,1239 10.576,1241 1.524,1242 5.953,1247 2.344,1248 8.684,1249 10.879,1251 -0.357,1257 42.677,1258 120.473,1259 260.883,1260 324.716,1261 361.245,1262 365.245,1263 367.245,1264 87.148,1265 8.436,1266 123.58,1267 160.2,1268 28,1269 12.964,1270 4.644,1271 3.858,1272 59.068,1273 188,1274 216,1275 0.148,1276 268.885,1277 460.44,1278 647.841,1279 62793,1280 1.6,1281 26.7,1282 0.703,1283 0.601,1284 27.804,1285 22.828,1286 18.336,1287 0.437,1288 0.345,1289 11.835,1290 16.182,1291 11.37,1292 9.35,1293 19.854,1294 14.5,1295 16.991,1296 0.283,1297 0.204,1298 19.566,1299 12.268,1300 14.031,1301 0.178,1302 0.115,1303 16.422,1304 9.095,1305 11.826,1306 0.113,1307 0.064,1308 14.025,1309 6.728,1310 9.428,1311 0.073,1312 0.038,1313 11.832,1314 4.849,1315 0.235,1316 131.448,1317 0.189,1318 34.594,1319 0.399,1320 204,1321 670.891,1322 316.087,1323 705.309,1324 941.08,1325 654,1326 241,1327 614.792,1328 342.998,1329 680.869,1330 1000.39,1331 636,1332 7.8}
{0 CHEMBL2326625,1 1.857,2 14.718,3 4.055,4 16.441,5 154.229,6 8.809,7 0.488,8 4.327,9 4.421,10 4.16,11 3.899,12 5.405,13 3.86,14 4.889,15 5.036,16 4.574,17 4.309,18 6.111,19 4.248,20 5.091,21 5.253,22 4.576,23 4.412,24 6.22,25 4.343,26 5.212,27 5.409,28 4.563,29 4.409,30 6.399,31 4.334,32 5.207,33 5.422,34 4.542,35 4.375,36 6.375,37 4.305,38 5.132,39 5.33,40 4.479,41 4.403,42 6.278,43 4.317,44 5.127,45 5.315,46 4.517,47 4.441,48 6.267,49 4.353,50 5.148,51 5.325,52 4.456,53 4.451,54 6.261,55 4.336,56 0.189,57 1.035,58 13.878,59 6.612,60 20.763,61 7.214,62 0.748,63 1.664,64 33.963,65 11.673,66 73.234,67 12.284,68 0.766,69 1.977,70 38.839,71 13.983,72 62.279,73 15.823,74 1.066,75 2.119,76 46.578,77 15.208,78 103.334,79 18.291,80 1.189,81 2.065,82 46.535,83 14.473,84 118.351,85 17.342,86 0.988,87 1.997,88 43.95,89 14.71,90 93.553,91 16.979,92 0.76,93 1.961,94 42.555,95 15.651,96 87.521,97 17.903,98 0.837,99 1.95,100 44.011,101 16.576,102 89.432,103 18.499,104 38,105 62,106 0.29,107 0.629,108 0.798,109 0.884,110 0.893,111 0.898,112 3.693,113 1.038,114 -3.56,115 -3.54,116 -3.37,119 38.8,124 2,125 5,127 1,138 9,139 3,140 1,143 1,148 1,149 2,151 1,159 1,163 9,165 1,166 6,169 4,171 2,172 13,175 2,176 10,179 2,181 4,183 5,186 5,187 13,190 2,192 5,194 2,197 2,198 10,203 4,205 7,208 2,209 14,212 1,214 2,217 8,221 15,224 1,226 2,227 11,230 1,231 11,236 3,238 9,241 2,242 7,246 1,247 1,249 9,252 3234,253 26.134,254 26.134,255 26.134,256 26.134,257 26.134,258 23.229,259 34.183,260 15.17,261 27.214,262 21.17,263 21.17,264 21.17,265 21.17,266 21.17,267 16.538,268 45.935,269 7.115,270 22.901,271 4.21,272 2.038,273 0.956,274 0.411,275 0.351,276 0.321,277 4.393,280 1,283 1,284 1244,285 4.416,287 197.436,288 378.6,291 170.232,295 2.201,296 51.558,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 85.833,308 574,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.96,316 12.608,317 3.193,318 4.683,319 3.776,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.972,327 4.102,328 3.372,329 6.386,330 3.916,331 2.955,332 3.681,333 0.86,334 9.622,335 2.84,336 4.037,337 2.94,338 5.839,339 3.695,340 2.706,341 3.424,342 0.819,343 8.157,344 2.679,345 3.86,346 2.896,347 5.55,348 3.333,349 2.418,350 3.194,351 0.557,352 7.41,353 2.259,354 3.727,355 2.826,356 5.365,357 3.249,358 2.383,359 3.152,360 0.522,361 6.797,362 2.016,363 3.394,364 2.658,365 5.116,366 3.058,367 2.099,368 2.735,370 6.028,371 1.984,372 3.34,373 2.386,374 5.024,375 2.927,376 1.985,377 2.589,379 5.916,380 1.867,381 3.178,382 2.145,383 4.86,384 2.877,385 1.904,386 2.221,388 5.239,389 1.817,390 2.8,391 2.105,392 4.519,393 2.376,394 1.421,395 1.892,397 4.117,398 1.351,399 2.774,400 1.645,401 4.439,402 2.262,403 1.414,404 1.873,406 3.874,407 1.193,408 2.659,409 1.613,410 3.847,411 2.24,412 1.35,413 1.729,415 3.109,416 1.186,417 2.63,418 1.558,419 3.731,420 2.187,421 1.205,422 1.675,424 2.818,425 1.181,426 2.414,427 1.317,428 3.582,429 2.125,430 1.176,431 1.414,433 2.77,434 1.06,435 2.194,436 1.217,437 3.494,438 2.071,439 1.104,440 1.169,442 2.578,443 1.035,444 19.048,445 0.488,446 1.098,447 0.028,448 49.25,449 1.263,450 23.5,451 0.603,452 25.75,453 0.66,454 37.996,455 0.974,456 42.752,457 0.638,458 43.784,459 1.123,460 9.721,461 0.249,462 9.026,463 0.231,464 0.143,465 0.044,466 0.305,472 0.665,473 1.338,474 0.693,475 1.103,476 0.626,477 0.921,478 0.965,479 0.992,480 0.677,481 0.732,482 0.613,483 0.784,484 0.976,485 1.21,486 0.928,487 1.103,488 0.97,489 1.057,490 0.873,491 1.159,492 0.731,493 0.933,494 1.008,495 0.998,496 1.047,497 0.92,498 0.71,499 0.753,500 1.082,501 0.829,502 0.989,503 0.876,504 0.896,505 0.853,506 0.919,507 0.859,508 0.947,509 0.938,510 0.835,511 0.936,512 1.091,513 0.909,514 1.07,515 1.066,516 1.032,517 1.081,518 1.127,519 1.107,520 9,521 0.29,522 4.889,523 3.729,524 2.233,525 1.64,526 1.075,527 0.625,528 0.586,529 0.362,530 25191,531 79574,532 2.073,533 41.8,535 26,538 2,542 1.795,543 1.926,544 3.798,545 0.238,550 124.391,551 1.857,552 4.028,553 5.11,554 5.655,555 5.715,556 5.745,557 3.247,558 5.132,559 5.255,560 4.003,561 2966.27,562 9.274,563 50802.4,568 406.428,569 1.568,570 5.205,571 0.209,572 0.007,573 0.079,574 0.059,575 0.036,576 0.028,577 0.018,578 0.01,579 0.01,580 0.008,581 0.464,582 0.33,583 0.63,584 0.686,585 219.074,586 0.031,587 -0.14,588 0.123,589 -0.068,590 -0.102,591 0.005,592 0.015,593 0.127,594 0.168,595 0.222,596 0.145,597 0.124,598 -0.041,599 -0.14,600 -0.039,601 -0.131,602 -0.062,603 -0.116,604 0.101,605 -0.149,606 0.065,607 -0.056,608 0.049,609 -0.061,610 -0.012,611 0.07,612 0.122,613 0.107,614 0.002,615 0.11,616 -0.044,617 0.16,618 -0.009,619 0.107,620 0.021,621 0.101,622 -0.063,623 0.067,624 0.037,625 0.048,626 -0.045,627 0.079,628 -0.122,629 -0.085,630 -0.111,631 -0.065,632 -0.125,633 -0.112,634 4.821,635 6.037,636 0.667,637 48.477,638 1.018,639 1.124,640 2.332,641 5.436,642 0.695,643 3.784,644 4.143,645 4.419,646 4.7,647 4.89,648 4.984,649 5.136,650 5.278,651 5.416,652 5.529,653 8.573,654 0.66,655 590.18,656 3.784,657 5.352,658 6.213,659 7.111,660 7.99,661 8.892,662 9.781,663 10.686,664 11.581,665 12.489,666 7.5,669 1,671 1,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 67,705 24,706 2,707 43,709 71,710 26,711 17,712 5,713 7,717 5,718 6,719 1,724 1,727 1,729 18,730 8,733 3,736 1,737 3,741 1,747 28,748 9,749 2,750 13,751 3,755 5,760 0.8,761 5,769 1,775 2,776 3,779 1,783 1,792 1,795 1,796 4,799 2,801 2,802 1,805 39,808 1,810 5,811 2,812 2,814 1,815 1,820 1,824 1,825 7.5,828 3,829 1,830 1,832 20.25,833 12.493,834 8.458,835 3.691,836 3.783,837 1.444,838 0.995,839 8.684,840 12.297,841 4.052,842 4.691,843 5.246,844 5.844,845 6.306,846 6.647,847 7.048,848 7.481,849 7.84,850 8.2,851 0.9,852 63,853 14.775,854 6.679,855 7.877,856 27.434,857 22.901,859 2.377,860 92.694,864 306.049,865 182.19,866 55.98,867 39.149,868 91.458,870 37.085,871 145.105,872 436.655,873 55.98,874 19.279,875 33.513,876 91.094,877 118.23,878 31.762,879 43.621,880 337.326,882 306.049,883 201.085,884 91.458,885 76.234,887 306.049,888 80.458,889 11,891 40.087,892 127.93,893 38.875,894 70.426,895 306.049,896 147.437,897 221.339,899 5.807,900 306.049,901 71.817,902 109.467,903 34.416,904 147.269,905 306.049,906 147.437,907 221.339,909 0.589,910 0.347,911 0.189,912 0.1,913 30,914 14,915 0.127,916 9,917 1,918 1.077,919 4.802,920 391.798,921 0.077,922 26,923 202.131,924 1,927 1,928 28.175,929 12.021,930 6.358,931 1.253,932 145.661,933 16.248,934 4.613,937 0.966,938 2.989,939 1.725,940 34.416,941 674.825,942 56.5,945 -3.904,946 38.738,950 -0.072,952 68.225,953 75.305,954 0.306,955 0.664,956 0.842,957 0.932,958 0.942,959 0.947,960 5.314,961 1.985,962 6.232,963 6.028,964 4.828,965 5.38,966 2.534,967 7.096,968 4.693,969 6.551,970 1.904,971 7.829,972 5.916,973 4.575,974 5.447,975 1.668,976 8.244,977 4.362,978 7.9,979 1.421,980 9.535,981 5.239,982 6.506,983 7.692,984 3.175,985 11.319,986 6.252,987 9.29,988 1.414,989 11.309,990 4.117,991 7.074,992 8.607,993 3.135,994 13.316,995 6.737,996 10.719,997 1.35,998 13.129,999 3.874,1000 8.513,1001 10.382,1002 4.253,1003 15.975,1004 8.133,1005 12.175,1006 1.205,1007 14.981,1008 3.109,1009 9.439,1010 11.66,1011 4.577,1012 18.292,1013 8.974,1014 13.652,1015 1.176,1016 16.857,1017 2.818,1018 10.708,1019 13.278,1020 5.493,1021 20.836,1022 10.19,1023 3.431,1024 1.104,1025 18.753,1026 2.77,1027 11.79,1028 14.712,1029 5.982,1030 23.271,1031 11.187,1032 3.227,1033 12.608,1034 20.663,1035 2.578,1036 13.003,1037 16.279,1038 6.79,1039 25.786,1040 12.338,1041 2.955,1042 11.652,1043 22.585,1044 4.768,1045 14.152,1046 17.778,1047 7.362,1048 28.267,1049 13.406,1050 2.706,1051 9.622,1052 24.517,1053 4.632,1054 15.352,1055 19.33,1056 8.11,1057 30.776,1058 14.536,1059 2.418,1060 8.157,1061 26.456,1062 3.681,1063 16.532,1064 20.857,1065 8.727,1066 33.276,1067 15.635,1068 2.383,1069 7.41,1070 28.402,1071 3.424,1072 17.732,1073 22.406,1074 9.443,1075 35.787,1076 16.762,1077 2.099,1078 6.797,1079 30.353,1080 3.194,1081 18.926,1082 23.945,1083 10.084,1084 38.296,1085 17.878,1086 23763,1087 42644,1088 28.433,1089 46.591,1090 65.173,1091 67.279,1092 67.254,1093 64.87,1094 64.792,1095 84.484,1096 11.155,1097 192.374,1098 60.132,1099 5.882,1100 6.689,1101 7.007,1102 5.519,1103 5.431,1104 7.768,1105 3.433,1106 20.175,1107 5.193,1108 21.19,1109 1.516,1110 1.565,1111 1.564,1112 1.509,1113 1.507,1114 1.965,1115 0.259,1116 4.474,1117 1.398,1118 4.17,1119 4.195,1120 4.794,1121 4.132,1122 7.717,1123 4.065,1124 4,1125 3.972,1126 4.168,1127 3.986,1128 7.428,1129 3.927,1130 3.926,1131 3.952,1132 4.079,1133 3.858,1134 6.999,1135 3.853,1136 3.827,1137 3.873,1138 3.86,1139 3.622,1140 5.049,1141 3.645,1142 3.56,1143 3.559,1144 3.739,1145 3.528,1146 4.885,1147 3.423,1148 3.474,1149 3.524,1150 3.382,1151 3.264,1152 4.727,1153 3.276,1154 3.388,1155 3.435,1156 3.304,1157 3.166,1158 4.622,1159 3.181,1160 3.223,1161 3.289,1162 3.168,1163 3.003,1164 4.593,1165 3,1166 0.114,1167 0.109,1168 0.17,1169 0.101,1170 0.08,1171 4.882,1172 0.111,1173 4.689,1174 0.046,1175 7.322,1176 0.293,1177 4.347,1178 0.074,1179 3.431,1180 4.768,1181 1.96,1182 12.608,1183 3.193,1184 1.966,1185 1.943,1186 2.068,1187 2.069,1188 1.251,1189 2.069,1190 1.906,1191 1.89,1192 1.989,1193 2.012,1194 1.217,1195 2.008,1196 1.752,1197 1.779,1198 1.941,1199 1.972,1200 1.143,1201 1.972,1202 1.729,1203 1.7,1204 1.646,1205 1.839,1206 0.945,1207 1.882,1208 1.445,1209 1.406,1210 1.611,1211 1.682,1212 0.862,1213 1.676,1214 1.402,1215 1.371,1216 1.576,1217 1.591,1218 0.799,1219 1.579,1220 1.322,1221 1.266,1222 1.524,1223 1.501,1224 0.608,1225 1.527,1226 1.18,1227 1.109,1228 1.52,1229 1.454,1230 0.606,1231 1.486,1232 4.466,1233 5.814,1234 3.045,1235 7.347,1236 5.416,1237 8.964,1238 7.535,1239 10.627,1241 3.444,1242 5.961,1247 2.47,1248 5.598,1249 10.98,1251 -0.306,1252 1.991,1257 44.204,1258 124.391,1259 269.882,1260 342.389,1261 378.918,1262 382.918,1263 384.918,1264 91.432,1265 8.514,1266 114.79,1267 151.41,1268 28,1269 13.008,1270 4.644,1271 3.858,1272 61.473,1273 198,1274 209,1275 0.147,1276 278.478,1277 477.74,1278 671.246,1279 69702,1280 1.5,1281 27.57,1282 0.707,1283 0.61,1284 28.674,1285 23.775,1286 18.746,1287 0.436,1288 0.346,1289 12.202,1290 16.555,1291 11.667,1292 9.619,1293 20.264,1294 14.879,1295 17.519,1296 0.283,1297 0.206,1298 20.093,1299 12.758,1300 14.486,1301 0.177,1302 0.117,1303 16.876,1304 9.555,1305 12.291,1306 0.113,1307 0.064,1308 14.491,1309 6.952,1310 9.594,1311 0.073,1312 0.038,1313 11.998,1314 4.969,1315 0.234,1316 134.118,1317 0.188,1318 35.301,1319 0.395,1320 210,1321 682.203,1322 322.448,1323 716.268,1324 955.78,1325 664,1326 249,1327 625.496,1328 351.831,1329 693.446,1330 1018.27,1331 646,1332 8.2}
{0 CHEMBL2326626,1 1.867,2 12.971,3 4.246,4 18.025,5 135.981,6 9.107,7 0.553,8 4.177,9 4.263,10 4.058,11 3.787,12 5.241,13 3.742,14 4.714,15 4.847,16 4.451,17 4.18,18 5.954,19 4.105,20 4.877,21 5.042,22 4.413,23 4.236,24 5.989,25 4.154,26 4.965,27 5.157,28 4.406,29 4.232,30 6.109,31 4.155,32 4.967,33 5.158,34 4.439,35 4.245,36 6.136,37 4.174,38 4.976,39 5.166,40 4.387,41 4.3,42 6.11,43 4.208,44 4.994,45 5.178,46 4.394,47 4.309,48 6.127,49 4.214,50 4.965,51 5.143,52 4.303,53 4.266,54 6.063,55 4.144,56 0.167,57 0.874,58 11.347,59 5.693,60 18.738,61 5.954,62 0.604,63 1.397,64 28.139,65 10.235,66 63.155,67 10.182,68 0.551,69 1.639,70 31.928,71 11.719,72 43.931,73 12.866,74 0.736,75 1.726,76 36.756,77 12.392,78 64.49,79 14.355,80 0.836,81 1.716,82 33.57,83 11.9,84 77.02,85 13.769,86 0.766,87 1.775,88 36.366,89 13.009,90 65.974,91 14.65,92 0.703,93 1.716,94 37.548,95 14.048,96 77.51,97 15.27,98 0.661,99 1.639,100 37.746,101 14.236,102 70.345,103 15.22,104 18,105 55,106 0.301,107 0.629,108 0.773,109 0.865,110 0.876,111 0.882,112 3.561,113 1.051,114 -4.08,115 -4.03,116 -3.82,119 40.4,124 1,125 4,127 1,138 9,139 3,140 1,143 1,148 1,149 2,159 1,163 9,165 1,166 6,169 3,171 2,172 13,176 10,179 2,181 4,183 5,186 4,187 12,190 1,192 5,194 2,197 2,198 8,203 4,205 7,208 2,209 11,212 1,214 2,217 8,221 12,224 1,226 2,227 11,231 9,236 3,238 9,241 1,242 6,246 1,247 1,249 9,252 2208,253 23.013,254 23.013,255 23.013,256 23.013,257 23.013,258 20.238,259 30.822,260 13.374,261 23.993,262 18.741,263 18.741,264 18.741,265 18.741,266 18.741,267 14.378,268 43.849,269 6.304,270 20.358,271 3.966,272 1.931,273 1.04,274 0.469,275 0.399,276 0.364,277 4.261,280 1,283 1,284 969,285 4,286 82.203,287 168.155,288 202.476,291 143.672,295 1.856,296 40.888,299 0.75,300 0.83,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.75,307 74.333,308 441,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 0.86,316 12.608,317 3.193,318 4.683,319 3.372,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.083,328 2.99,329 5.839,330 3.712,331 2.727,332 3.68,333 0.657,334 8.16,335 2.693,336 3.86,337 2.897,338 5.563,339 3.507,340 2.566,341 3.424,342 0.522,343 7.459,344 2.405,345 3.732,346 2.879,347 5.378,348 3.314,349 2.418,350 3.159,352 7.048,353 2.239,354 3.577,355 2.651,356 5.364,357 3.249,358 2.366,359 2.735,361 6.797,362 2.003,363 3.389,364 2.386,365 5.116,366 2.996,367 2.037,368 2.646,370 6.014,371 1.95,372 3.305,373 2.147,374 4.98,375 2.895,376 1.944,377 2.503,379 5.84,380 1.819,381 2.8,382 1.681,383 4.519,384 2.378,385 1.425,386 1.892,388 4.119,389 1.353,390 2.775,391 1.613,392 4.439,393 2.24,394 1.35,395 1.875,397 3.874,398 1.186,399 2.659,400 1.556,401 3.733,402 2.185,403 1.202,404 1.73,406 2.802,407 1.179,408 2.631,409 1.249,410 3.518,411 2.125,412 1.176,413 1.675,415 2.673,416 1.035,417 2.179,418 1.207,419 3.373,420 1.884,421 1,422 1.062,424 2.253,425 0.878,426 2.081,427 0.953,428 3.283,429 1.56,430 0.687,431 1.019,433 1.671,434 0.578,435 1.64,436 0.796,437 3.143,438 1.343,439 0.47,440 0.532,442 0.77,443 0.406,444 16.814,445 0.495,446 0.919,447 0.027,448 44.25,449 1.301,450 22,451 0.647,452 22.25,453 0.654,454 30.717,455 0.903,456 36.586,457 0.642,458 35.856,459 1.055,460 8.564,461 0.252,462 7.861,463 0.231,464 0.112,465 0.05,466 0.291,472 0.662,473 1.213,474 0.684,475 1.047,476 0.667,477 0.865,478 0.973,479 1.023,480 0.68,481 0.756,482 0.646,483 0.824,484 0.89,485 1.24,486 0.924,487 1.108,488 0.905,489 1.036,490 0.826,491 1.14,492 0.7,493 0.895,494 0.889,495 0.941,496 0.839,497 1.018,498 0.678,499 0.83,500 0.889,501 0.891,502 0.845,503 0.919,504 0.88,505 0.905,506 0.733,507 0.904,508 1.054,509 0.918,510 0.858,511 0.931,512 1.252,513 0.923,514 1.121,515 1.095,516 1.043,517 1.098,518 1.203,519 1.102,520 8,521 0.229,522 3.667,523 3.042,524 2.002,525 1.383,526 0.932,527 0.536,528 0.491,529 0.289,530 17148,531 53584,532 2.12,533 40.4,535 21,538 2,542 1.764,543 1.99,544 3.621,545 0.264,550 106.391,551 1.867,552 3.902,553 4.793,554 5.364,555 5.434,556 5.469,557 3.089,558 4.735,559 5.053,560 3.789,561 2125.72,562 8.889,563 32177.7,568 332.475,569 1.501,570 5.017,571 0.211,572 0.007,573 0.069,574 0.058,575 0.038,576 0.026,577 0.017,578 0.01,579 0.011,580 0.007,581 0.454,582 0.33,583 0.75,584 0.662,585 181.474,586 0.046,587 -0.061,588 0.123,589 -0.047,590 -0.131,591 0.026,592 0.018,593 0.066,594 0.154,595 0.191,596 0.185,597 0.068,598 -0.027,599 -0.175,600 -0.016,601 -0.136,602 -0.03,603 -0.095,604 0.091,605 -0.114,606 0.094,607 -0.017,608 0.074,609 -0.006,610 0.094,611 0.001,612 0.123,613 0.03,614 0.086,615 0.041,616 0.026,617 0.13,618 -0.017,619 0.045,620 0.097,621 0.051,622 -0.09,623 0.066,624 0.012,625 0.039,626 -0.069,627 0.052,628 -0.139,629 -0.128,630 -0.098,631 -0.085,632 -0.111,633 -0.112,634 4.77,635 5.962,636 0.706,637 37.405,638 1.018,639 1.119,640 2.853,641 8.142,642 0.712,643 3.664,644 4.025,645 4.304,646 4.564,647 4.771,648 4.905,649 5.069,650 5.215,651 5.352,652 5.455,653 7.424,654 0.674,655 519.09,656 3.664,657 5.231,658 6.094,659 6.995,660 7.877,661 8.783,662 9.675,663 10.585,664 11.482,665 12.395,666 7,668 1,671 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,701 1,702 1,703 57,705 23,706 2,707 38,709 61,710 23,711 17,712 5,713 7,717 5,718 6,719 1,724 1,727 1,729 17,730 6,733 2,736 1,737 2,747 23,748 7,749 2,750 11,751 3,755 4,760 0.8,761 4,766 1,769 1,774 1,775 2,776 2,779 1,791 1,795 1,796 4,799 2,801 1,802 1,805 34,808 1,810 4,811 2,812 2,814 1,820 1,824 1,825 7,828 2,829 1,830 1,832 17.083,833 10.376,834 7.319,835 3.137,836 3.699,837 1.453,838 1.016,839 6.932,840 11.857,841 3.942,842 4.605,843 5.18,844 5.791,845 6.269,846 6.625,847 7.028,848 7.464,849 7.818,850 8.182,851 0.889,852 52,853 12.866,854 5.859,855 7.81,856 24.05,857 20.346,859 2.31,860 78.528,864 247.193,865 166.984,866 52.855,867 39.149,868 66.313,870 37.085,871 129.898,872 352.655,873 52.855,874 10.883,875 13.396,876 109.104,877 88.381,878 28.637,879 43.621,880 278.471,882 247.193,883 182.754,884 66.313,885 76.234,887 247.193,888 55.313,889 11,891 34.857,892 114.829,893 38.875,894 70.426,895 247.193,896 119.168,897 206.132,899 5.807,900 247.193,901 65.007,902 97.946,903 34.416,904 122.124,905 247.193,906 119.168,907 206.132,909 0.588,910 0.344,911 0.179,912 0.098,913 28,914 12,915 0.148,916 9,917 1,918 1.083,919 4.488,920 329.138,921 0.083,922 24,923 168.974,924 1,927 1,928 23.728,929 9.932,930 5.178,931 1.357,932 117.391,933 16.804,934 4.623,937 0.988,938 3.468,939 1.781,940 34.416,941 572.493,942 50.5,945 -3.854,946 25.923,952 58.029,953 63.767,954 0.32,955 0.669,956 0.822,957 0.92,958 0.932,959 0.938,960 5.2,961 1.944,962 6.111,963 6.014,964 4.71,965 5.293,966 1.68,967 6.974,968 4.566,969 6.442,970 1.425,971 7.704,972 5.84,973 4.443,974 5.366,976 8.129,977 4.213,978 7.799,979 1.35,980 9.407,981 4.119,982 6.402,983 7.641,984 1.311,985 11.205,986 6.13,987 9.198,988 1.202,989 11.179,990 3.874,991 6.957,992 8.562,994 13.218,995 6.592,996 10.633,997 1.176,998 12.999,999 2.802,1000 8.411,1001 10.351,1002 1.037,1003 15.882,1004 8.004,1005 12.095,1006 1,1007 14.853,1008 2.673,1009 9.331,1010 11.636,1012 18.217,1013 8.83,1014 13.579,1015 0.687,1016 16.733,1017 2.253,1018 10.609,1019 13.262,1020 0.823,1021 20.77,1022 10.056,1023 3.431,1024 0.47,1025 18.633,1026 1.671,1027 11.691,1028 14.7,1030 23.22,1031 11.049,1032 3.227,1033 12.608,1034 20.549,1035 0.77,1036 12.912,1037 16.27,1038 0.651,1039 25.743,1040 12.208,1041 2.727,1042 11.652,1043 22.478,1044 4.768,1045 14.066,1046 17.772,1048 28.233,1049 13.277,1050 2.566,1051 8.16,1052 24.417,1053 4.632,1054 15.273,1055 19.326,1056 0.512,1057 30.749,1058 14.415,1059 2.418,1060 7.459,1061 26.364,1062 3.68,1063 16.458,1064 20.854,1066 33.255,1067 15.519,1068 2.366,1069 7.048,1070 28.318,1071 3.424,1072 17.665,1073 22.404,1074 0.399,1075 35.77,1076 16.653,1077 2.037,1078 6.797,1079 30.276,1080 3.159,1081 18.866,1082 23.944,1084 38.283,1085 17.776,1086 15992,1087 28622,1088 25.542,1089 40.608,1090 56.732,1091 58.601,1092 58.35,1093 56.589,1094 56.566,1095 75.215,1096 5.798,1097 168.678,1098 52.245,1099 5.882,1100 6.689,1101 6.94,1102 5.519,1103 5.431,1104 7.768,1105 1.72,1106 20.175,1107 5.193,1108 15.489,1109 1.493,1110 1.542,1111 1.536,1112 1.489,1113 1.489,1114 1.979,1115 0.153,1116 4.439,1117 1.375,1118 4.17,1119 4.194,1120 4.793,1121 4.131,1122 7.717,1123 4.065,1124 4,1125 3.974,1126 4.168,1127 3.986,1128 6.999,1129 3.927,1130 3.926,1131 3.95,1132 4.079,1133 3.859,1134 5.049,1135 3.854,1136 3.775,1137 3.815,1138 3.858,1139 3.577,1140 4.885,1141 3.593,1142 3.56,1143 3.554,1144 3.668,1145 3.528,1146 4.749,1147 3.423,1148 3.431,1149 3.472,1150 3.361,1151 3.235,1152 4.672,1153 3.246,1154 3.233,1155 3.303,1156 3.17,1157 3.039,1158 4.592,1159 3.033,1160 3.198,1161 3.262,1162 3.076,1163 2.983,1164 4.26,1165 2.99,1166 0.128,1167 0.123,1168 0.193,1169 0.114,1170 0.09,1171 4.882,1172 0.125,1173 4.689,1174 0.023,1175 7.322,1176 0.332,1177 4.347,1178 0.084,1179 3.431,1180 4.768,1181 0.86,1182 12.608,1183 3.193,1184 1.967,1185 1.943,1186 2.073,1187 2.072,1188 1.276,1189 2.073,1190 1.908,1191 1.891,1192 1.992,1193 2.009,1194 1.209,1195 2.01,1196 1.734,1197 1.779,1198 1.914,1199 1.937,1200 1.132,1201 1.937,1202 1.711,1203 1.67,1204 1.622,1205 1.832,1206 0.943,1207 1.876,1208 1.429,1209 1.406,1210 1.6,1211 1.65,1212 0.809,1213 1.64,1214 1.386,1215 1.345,1216 1.552,1217 1.501,1218 0.607,1219 1.527,1220 1.2,1221 1.138,1222 1.43,1223 1.472,1224 0.581,1225 1.504,1226 1.155,1227 1.09,1228 1.334,1229 1.396,1230 0.546,1231 1.412,1232 4.344,1233 5.72,1234 3.045,1235 7.263,1236 5.416,1237 8.882,1238 7.535,1239 10.543,1241 1.549,1242 5.946,1247 2.717,1248 6.088,1249 10.733,1251 0.403,1257 38.414,1258 106.391,1259 222.397,1260 273.191,1261 305.72,1262 309.72,1263 311.72,1264 66.059,1265 8.158,1266 94.48,1267 131.1,1268 26,1269 12.912,1270 4.585,1271 3.755,1272 49.828,1273 148,1274 182,1275 0.16,1276 241.838,1277 408.69,1278 581.844,1279 42095,1280 1.8,1281 23.709,1282 0.697,1283 0.609,1284 24.812,1285 20.713,1286 16.425,1287 0.432,1288 0.35,1289 10.681,1290 14.411,1291 10.212,1292 8.409,1293 17.943,1294 13.312,1295 15.413,1296 0.28,1297 0.211,1298 17.987,1299 11.584,1300 12.754,1301 0.175,1302 0.118,1303 15.145,1304 8.623,1305 10.437,1306 0.11,1307 0.065,1308 12.637,1309 6.18,1310 8.276,1311 0.071,1312 0.038,1313 10.68,1314 4.499,1315 0.251,1316 118.953,1317 0.198,1318 31.399,1319 0.443,1320 186,1321 584.822,1322 294.152,1323 626.956,1324 843.12,1325 582,1326 221,1327 551.465,1328 319.422,1329 619.788,1330 911.81,1331 578,1332 6.6}
{0 CHEMBL2326627,1 1.949,2 12.212,3 3.397,4 11.538,5 129.376,6 9.548,7 0.583,8 4.1,9 4.187,10 4.018,11 3.708,12 5.25,13 3.668,14 4.621,15 4.752,16 4.438,17 4.096,18 5.972,19 4.033,20 4.786,21 4.932,22 4.396,23 4.145,24 6.016,25 4.091,26 4.856,27 5.02,28 4.395,29 4.148,30 6.116,31 4.094,32 4.896,33 5.085,34 4.431,35 4.156,36 6.156,37 4.104,38 4.892,39 5.074,40 4.362,41 4.193,42 6.136,43 4.122,44 4.887,45 5.06,46 4.373,47 4.193,48 6.14,49 4.119,50 4.855,51 5.024,52 4.27,53 4.158,54 6.087,55 4.052,56 0.189,57 0.84,58 9.25,59 5.071,60 19.095,61 4.993,62 0.604,63 1.314,64 24.551,65 9.124,66 61.645,67 8.79,68 0.659,69 1.516,70 27.163,71 10.072,72 65.484,73 9.683,74 0.774,75 1.58,76 29.481,77 10.57,78 71.629,79 11.232,80 0.885,81 1.626,82 29.668,83 10.652,84 81.335,85 11.79,86 0.893,87 1.648,88 32.708,89 11.413,90 75.638,91 11.811,92 0.824,93 1.575,94 32.787,95 11.965,96 95.106,97 12.322,98 0.839,99 1.492,100 31.445,101 11.962,102 91.568,103 12.099,104 43,105 52,106 0.319,107 0.681,108 0.815,109 0.888,110 0.888,111 0.888,112 3.532,113 1.037,114 -3.25,115 -3.24,116 -3.11,119 39.6,120 1,124 1,125 2,138 7,139 2,140 1,141 1,142 1,143 1,148 1,149 2,151 1,159 1,163 5,165 1,166 8,169 4,171 3,172 8,175 1,176 9,179 1,181 4,183 2,186 5,187 11,190 1,192 3,194 1,197 2,198 10,201 1,203 2,205 6,208 2,209 9,212 2,214 1,217 4,220 2,221 9,224 1,226 1,227 9,230 3,231 6,236 3,238 6,241 1,242 7,246 1,247 1,249 6,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.398,260 12.722,261 22.748,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 13.058,268 37.56,269 6,270 19.202,271 3.779,272 1.564,273 0.739,274 0.293,275 0.293,276 0.293,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 46.009,299 0.75,300 0.67,301 0.83,302 0.5,304 0.67,305 1,306 0.63,307 72.833,308 403,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.192,318 4.683,319 3.52,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.084,328 3.372,329 5.839,330 3.69,331 2.715,332 3.68,333 0.561,334 8.158,335 2.649,336 3.86,337 2.93,338 5.551,339 3.353,340 2.419,341 3.424,342 0.522,343 7.416,344 2.288,345 3.732,346 2.895,347 5.365,348 3.249,349 2.397,350 3.159,352 6.797,353 2.166,354 3.549,355 2.662,356 5.116,357 3.192,358 2.204,359 2.745,361 6.032,362 1.999,363 3.388,364 2.387,365 5.015,366 2.957,367 2.005,368 2.726,370 5.926,371 1.9,372 3.295,373 2.145,374 4.609,375 2.881,376 1.918,377 2.535,379 5.003,380 1.815,381 2.8,382 1.645,383 4.507,384 2.358,385 1.416,386 1.892,388 4.109,389 1.327,390 2.774,391 1.613,392 4.438,393 2.238,394 1.349,395 1.873,397 3.874,398 1.184,399 2.659,400 1.317,401 3.732,402 2.153,403 1.185,404 1.729,406 2.797,407 1.143,408 2.63,409 1.217,410 3.497,411 2.124,412 1.176,413 1.675,415 2.629,416 1.035,417 2.179,418 1.057,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.778,427 0.953,428 3.143,429 1.509,430 0.548,431 0.632,433 1.22,434 0.522,435 1.64,436 0.796,437 3.023,438 1.343,439 0.469,440 0.531,442 0.768,443 0.406,444 16.214,445 0.491,446 0.995,447 0.03,448 45,449 1.364,450 23.5,451 0.712,452 21.5,453 0.652,454 28.586,455 0.866,456 35.386,457 0.668,458 37.334,459 1.131,460 8.817,461 0.267,462 6.946,463 0.21,464 0.167,465 0.051,466 0.302,472 0.625,473 1.264,474 0.682,475 1.056,476 0.635,477 0.858,478 0.78,479 1.053,480 0.612,481 0.748,482 0.57,483 0.77,484 1.149,485 1.173,486 0.996,487 1.08,488 1.137,489 0.998,490 0.912,491 1.205,492 0.751,493 0.959,494 0.93,495 1.019,496 0.813,497 1.036,498 0.658,499 0.836,500 0.78,501 0.879,502 0.985,503 0.892,504 0.919,505 0.879,506 0.84,507 0.868,508 1.039,509 0.941,510 0.876,511 0.946,512 1.175,513 0.911,514 1.115,515 1.014,516 1.056,517 1.027,518 1.149,519 1.085,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 51799,532 2.036,533 37.7,535 14,537 1,538 2,539 3,542 1.757,543 1.877,544 3.552,545 0.312,550 103.293,551 1.949,552 4.164,553 4.989,554 5.435,555 5.435,556 5.435,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 303.58,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.031,587 -0.101,588 0.114,589 -0.057,590 -0.123,591 0.014,592 0.113,593 0.043,594 0.222,595 0.203,596 0.191,597 0.121,598 -0.177,599 -0.096,600 -0.085,601 -0.107,602 -0.164,603 -0.094,604 0.042,605 -0.171,606 0.024,607 -0.087,608 -0.01,609 -0.115,610 0.104,611 -0.023,612 0.149,613 0.019,614 0.078,615 0.055,616 -0.034,617 0.157,618 -0.039,619 0.074,620 0.023,621 0.074,622 -0.055,623 0.055,624 0.01,625 0.031,626 -0.077,627 0.057,628 -0.106,629 -0.032,630 -0.12,631 -0.031,632 -0.118,633 -0.111,634 4.81,635 5.901,636 0.606,637 34.793,638 1.026,639 1.121,640 2.023,641 4.094,642 0.719,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.686,655 506.05,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 9.4,671 1,673 1,674 1,676 2,680 2,681 8,682 2,685 1,686 6,687 1,688 21,701 1,702 1,703 53,705 24,706 1,707 36,709 56,710 21,711 16,712 3,713 3,717 4,718 5,719 1,721 1,729 17,730 4,733 3,736 1,737 3,741 1,747 20,748 8,749 2,750 12,751 3,755 5,760 0.75,761 4,769 1,770 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 33,808 1,810 2,811 2,812 1,820 1,824 1,825 7.5,828 3,830 1,832 17.583,833 10.16,834 7.153,835 2.83,836 3.729,837 1.471,838 1.001,839 7.119,840 11.654,841 3.922,842 4.595,843 5.152,844 5.782,845 6.267,846 6.62,847 7.022,848 7.455,849 7.812,850 8.165,851 1,852 51,853 12.469,854 5.628,855 7.996,856 22.747,857 18.649,859 2.496,860 82.361,864 211.88,865 160.995,866 69.641,867 39.149,868 80.458,870 37.085,871 123.91,872 331.486,873 69.641,874 19.708,875 22.222,876 72.141,877 135.787,878 37.256,879 43.621,880 231.386,882 211.88,883 193.551,884 80.458,885 76.234,887 211.88,888 80.458,891 46.302,892 97.395,893 55.661,894 70.426,895 211.88,896 150.099,897 200.143,899 5.807,900 211.88,901 60.098,902 96.866,903 34.416,904 153.055,905 211.88,906 150.099,907 200.143,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.143,916 8,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 164.465,924 1,927 1,928 23.796,929 9.872,930 5.423,931 1.2,932 148.322,933 13.664,934 8.912,937 0.956,938 2.657,939 1.654,940 34.416,941 562.122,942 49.5,945 -3.894,946 37.007,950 -0.123,952 54.364,953 59.435,954 0.34,955 0.727,956 0.871,957 0.949,958 0.949,959 0.949,960 5.172,961 1.918,962 6.057,963 5.926,964 4.654,965 5.283,966 2.263,967 6.923,968 4.516,969 6.431,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.22,978 7.79,979 1.349,980 9.361,981 4.109,982 6.337,983 7.64,984 2.986,985 11.169,986 6.069,987 9.192,988 1.185,989 11.138,990 3.874,991 6.929,992 8.572,993 3.032,994 13.198,995 6.565,996 10.629,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.353,1002 4.061,1003 15.866,1004 7.946,1005 12.092,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.639,1011 4.414,1012 18.208,1013 8.793,1014 13.576,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.263,1020 5.262,1021 20.764,1022 10.007,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.701,1029 5.757,1030 23.217,1031 11.013,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.271,1038 6.511,1039 25.741,1040 12.169,1041 2.715,1042 11.652,1043 22.463,1044 4.768,1045 14.046,1046 17.773,1047 7.078,1048 28.232,1049 13.246,1050 2.419,1051 8.158,1052 24.405,1053 4.632,1054 15.255,1055 19.326,1056 7.782,1057 30.748,1058 14.384,1059 2.397,1060 7.416,1061 26.354,1062 3.68,1063 16.445,1064 20.855,1065 8.386,1066 33.254,1067 15.494,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.404,1074 9.064,1075 35.77,1076 16.629,1077 2.005,1078 6.032,1079 30.27,1080 3.159,1081 18.857,1082 23.944,1083 9.687,1084 38.283,1085 17.755,1086 13996,1087 26827,1088 23.463,1089 38.091,1090 54.612,1091 56.187,1092 56.097,1093 54.327,1094 54.291,1095 74.038,1096 7.704,1097 161.317,1098 50.354,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.192,1108 19.021,1109 1.517,1110 1.561,1111 1.558,1112 1.509,1113 1.508,1114 2.057,1115 0.214,1116 4.481,1117 1.399,1118 4.167,1119 4.192,1120 4.793,1121 4.13,1122 7.717,1123 4.06,1124 3.998,1125 3.965,1126 4.168,1127 3.979,1128 7.43,1129 3.924,1130 3.894,1131 3.929,1132 4.077,1133 3.797,1134 6.999,1135 3.802,1136 3.588,1137 3.641,1138 3.836,1139 3.528,1140 5.055,1141 3.423,1142 3.559,1143 3.551,1144 3.495,1145 3.346,1146 4.885,1147 3.371,1148 3.418,1149 3.459,1150 3.349,1151 3.216,1152 4.851,1153 3.228,1154 3.225,1155 3.292,1156 3.169,1157 2.998,1158 4.6,1159 2.998,1160 3.122,1161 3.196,1162 3.065,1163 2.941,1164 4.261,1165 2.94,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.192,1184 1.947,1185 1.929,1186 2.029,1187 2.061,1188 1.202,1189 2.054,1190 1.871,1191 1.843,1192 1.97,1193 1.987,1194 1.117,1195 1.99,1196 1.729,1197 1.776,1198 1.737,1199 1.847,1200 0.945,1201 1.884,1202 1.508,1203 1.45,1204 1.619,1205 1.761,1206 0.832,1207 1.756,1208 1.42,1209 1.404,1210 1.596,1211 1.634,1212 0.7,1213 1.623,1214 1.372,1215 1.324,1216 1.546,1217 1.501,1218 0.606,1219 1.527,1220 1.181,1221 1.107,1222 1.384,1223 1.461,1224 0.573,1225 1.497,1226 1.129,1227 1.088,1228 1.33,1229 1.339,1230 0.46,1231 1.363,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 2.967,1242 5.915,1247 0.664,1248 5.314,1249 5.467,1257 36.382,1258 103.293,1259 220.709,1260 264.419,1261 288.07,1262 288.07,1263 288.07,1264 75.779,1265 7.925,1266 115.21,1267 151.83,1268 22,1269 12.853,1270 4.644,1271 3.858,1272 54.105,1273 139,1274 160,1275 0.189,1276 233.913,1277 394.81,1278 562.508,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.609,1284 24.691,1285 20.091,1286 15.763,1287 0.438,1288 0.346,1289 9.823,1290 13.728,1291 9.32,1292 7.727,1293 17.281,1294 12.443,1295 15.01,1296 0.289,1297 0.206,1298 17.584,1299 10.714,1300 11.699,1301 0.175,1302 0.116,1303 14.089,1304 7.8,1305 9.957,1306 0.109,1307 0.063,1308 12.157,1309 5.776,1310 8.044,1311 0.071,1312 0.037,1313 10.447,1314 4.216,1315 0.294,1316 115.013,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 604.467,1322 285.208,1323 648.1,1324 862.98,1325 598,1326 207,1327 564.212,1328 304.678,1329 630.743,1330 920.23,1331 588,1332 6.8}
{0 CHEMBL2326628,1 1.949,2 12.212,3 3.397,4 11.538,5 129.376,6 9.548,7 0.583,8 4.1,9 4.187,10 4.018,11 3.708,12 5.25,13 3.668,14 4.621,15 4.752,16 4.438,17 4.096,18 5.972,19 4.033,20 4.786,21 4.932,22 4.396,23 4.145,24 6.017,25 4.091,26 4.856,27 5.02,28 4.392,29 4.149,30 6.11,31 4.096,32 4.897,33 5.084,34 4.431,35 4.166,36 6.167,37 4.111,38 4.896,39 5.078,40 4.359,41 4.21,42 6.124,43 4.135,44 4.888,45 5.057,46 4.366,47 4.215,48 6.119,49 4.135,50 4.883,51 5.052,52 4.271,53 4.18,54 6.082,55 4.068,56 0.189,57 0.84,58 9.25,59 5.071,60 19.095,61 4.993,62 0.604,63 1.314,64 24.551,65 9.124,66 61.645,67 8.79,68 0.659,69 1.516,70 27.163,71 10.072,72 65.984,73 9.683,74 0.769,75 1.576,76 29.538,77 10.524,78 71.026,79 11.147,80 0.916,81 1.625,82 29.447,83 10.625,84 85.502,85 11.786,86 0.876,87 1.654,88 32.668,89 11.556,90 72.974,91 12.114,92 0.735,93 1.568,94 31.88,95 12.388,96 85.029,97 12.672,98 0.828,99 1.516,100 33.935,101 12.86,102 87.638,103 12.864,104 43,105 52,106 0.319,107 0.681,108 0.815,109 0.888,110 0.888,111 0.888,112 3.532,113 1.037,114 -3.25,115 -3.24,116 -3.11,119 39.6,120 1,124 1,125 2,138 7,139 2,140 1,141 1,142 1,143 1,148 1,149 2,151 1,159 1,163 5,165 1,166 9,169 4,171 2,172 8,176 11,179 2,181 3,183 2,186 4,187 10,190 1,192 4,194 2,197 4,198 6,203 4,205 8,208 3,209 9,212 1,214 2,217 5,221 13,224 1,227 8,230 1,231 8,234 1,236 2,238 6,241 2,242 3,246 1,247 1,249 8,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.398,260 12.722,261 22.748,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 13.058,268 37.56,269 6,270 19.204,271 3.779,272 1.564,273 0.739,274 0.293,275 0.293,276 0.293,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 45.757,299 0.75,300 0.67,301 0.83,302 0.5,304 0.67,305 1,306 0.63,307 72.833,308 403,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.193,318 4.683,319 3.52,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.084,328 3.372,329 5.839,330 3.691,331 2.715,332 3.68,333 0.561,334 8.158,335 2.65,336 3.86,337 2.93,338 5.551,339 3.348,340 2.419,341 3.424,342 0.522,343 7.416,344 2.283,345 3.732,346 2.895,347 5.365,348 3.249,349 2.397,350 3.159,352 6.797,353 2.163,354 3.549,355 2.662,356 5.116,357 3.196,358 2.204,359 2.745,361 6.032,362 1.999,363 3.388,364 2.387,365 5.015,366 2.955,367 2.005,368 2.726,370 5.926,371 1.904,372 3.295,373 2.145,374 4.609,375 2.884,376 1.918,377 2.535,379 5.003,380 1.817,381 2.8,382 1.645,383 4.507,384 2.367,385 1.416,386 1.892,388 4.109,389 1.341,390 2.774,391 1.613,392 4.438,393 2.238,394 1.349,395 1.873,397 3.874,398 1.184,399 2.659,400 1.317,401 3.732,402 2.142,403 1.185,404 1.729,406 2.797,407 1.13,408 2.63,409 1.217,410 3.497,411 2.123,412 1.176,413 1.675,415 2.629,416 1.035,417 2.179,418 1.057,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.778,427 0.953,428 3.143,429 1.51,430 0.548,431 0.632,433 1.22,434 0.523,435 1.64,436 0.796,437 3.023,438 1.342,439 0.469,440 0.531,442 0.768,443 0.406,444 16.214,445 0.491,446 0.995,447 0.03,448 45,449 1.364,450 23.5,451 0.712,452 21.5,453 0.652,454 28.603,455 0.867,456 35.386,457 0.668,458 37.317,459 1.131,460 8.817,461 0.267,462 6.946,463 0.21,464 0.167,465 0.051,466 0.302,472 0.625,473 1.264,474 0.682,475 1.056,476 0.635,477 0.858,478 0.78,479 1.053,480 0.612,481 0.748,482 0.57,483 0.77,484 1.149,485 1.173,486 0.996,487 1.08,488 1.134,489 0.998,490 0.935,491 1.22,492 0.754,493 0.953,494 0.935,495 1.011,496 0.787,497 0.979,498 0.667,499 0.82,500 0.766,501 0.881,502 0.932,503 0.85,504 0.915,505 0.878,506 0.767,507 0.877,508 1.062,509 0.987,510 0.884,511 0.986,512 1.173,513 0.961,514 1.176,515 1.021,516 1.091,517 1.081,518 1.212,519 1.106,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 52103,532 2.036,533 37.7,535 14,537 1,538 2,539 3,542 1.757,543 1.877,544 3.552,545 0.312,550 103.293,551 1.949,552 4.164,553 4.989,554 5.435,555 5.435,556 5.435,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 303.58,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.031,587 -0.101,588 0.114,589 -0.057,590 -0.123,591 0.014,592 0.113,593 0.043,594 0.222,595 0.203,596 0.191,597 0.121,598 -0.177,599 -0.096,600 -0.085,601 -0.107,602 -0.162,603 -0.094,604 0.019,605 -0.186,606 0.021,607 -0.08,608 -0.016,609 -0.106,610 0.128,611 0.038,612 0.136,613 0.034,614 0.091,615 0.051,616 -0.019,617 0.195,618 -0.041,619 0.077,620 0.041,621 0.073,622 -0.107,623 -0.008,624 -0.007,625 -0.003,626 -0.094,627 0.017,628 -0.151,629 -0.063,630 -0.128,631 -0.054,632 -0.157,633 -0.111,634 4.805,635 5.905,636 0.606,637 34.793,638 1.026,639 1.121,640 2.023,641 4.094,642 0.719,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.686,655 506.05,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 9.4,671 1,673 1,674 1,676 2,680 2,681 8,682 2,685 1,686 6,687 1,688 21,701 1,702 1,703 53,705 24,706 1,707 36,709 56,710 21,711 16,712 3,713 3,717 4,718 5,719 1,721 1,729 17,730 4,733 3,736 1,737 3,741 1,747 20,748 8,749 2,750 12,751 3,755 5,760 0.75,761 4,769 1,770 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 33,808 1,810 2,811 2,812 1,820 1,824 1,825 7.5,828 3,830 1,832 17.583,833 10.16,834 7.153,835 2.83,836 3.729,837 1.471,838 1.001,839 7.119,840 11.654,841 3.922,842 4.595,843 5.152,844 5.782,845 6.267,846 6.62,847 7.022,848 7.455,849 7.812,850 8.165,851 1,852 51,853 12.467,854 5.625,855 7.996,856 22.747,857 18.649,859 2.496,860 82.361,864 211.88,865 160.995,866 69.641,867 39.149,868 80.458,870 37.085,871 123.91,872 331.486,873 69.641,874 19.708,875 22.222,876 72.141,877 135.787,878 37.256,879 43.621,880 231.386,882 211.88,883 193.551,884 80.458,885 76.234,887 211.88,888 80.458,891 46.302,892 97.395,893 55.661,894 70.426,895 211.88,896 150.099,897 200.143,899 5.807,900 211.88,901 60.098,902 96.866,903 34.416,904 153.055,905 211.88,906 150.099,907 200.143,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.143,916 8,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 162.465,924 1,927 1,928 23.796,929 9.872,930 5.423,931 1.232,932 148.322,933 13.716,934 8.809,937 0.959,938 2.684,939 1.689,940 34.416,941 562.122,942 49.5,945 -3.888,946 37.003,950 -0.142,952 54.364,953 59.435,954 0.34,955 0.727,956 0.871,957 0.949,958 0.949,959 0.949,960 5.172,961 1.918,962 6.057,963 5.926,964 4.654,965 5.283,966 2.263,967 6.923,968 4.516,969 6.431,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.22,978 7.79,979 1.349,980 9.361,981 4.109,982 6.337,983 7.64,984 2.986,985 11.169,986 6.069,987 9.192,988 1.185,989 11.138,990 3.874,991 6.929,992 8.572,993 3.032,994 13.198,995 6.565,996 10.629,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.353,1002 4.061,1003 15.866,1004 7.946,1005 12.092,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.639,1011 4.414,1012 18.208,1013 8.794,1014 13.576,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.263,1020 5.262,1021 20.764,1022 10.008,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.701,1029 5.757,1030 23.217,1031 11.014,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.271,1038 6.511,1039 25.741,1040 12.17,1041 2.715,1042 11.652,1043 22.463,1044 4.768,1045 14.046,1046 17.773,1047 7.078,1048 28.232,1049 13.247,1050 2.419,1051 8.158,1052 24.405,1053 4.632,1054 15.255,1055 19.326,1056 7.782,1057 30.748,1058 14.385,1059 2.397,1060 7.416,1061 26.354,1062 3.68,1063 16.445,1064 20.855,1065 8.386,1066 33.254,1067 15.496,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.404,1074 9.064,1075 35.77,1076 16.631,1077 2.005,1078 6.032,1079 30.27,1080 3.159,1081 18.857,1082 23.944,1083 9.687,1084 38.283,1085 17.757,1086 13996,1087 26895,1088 23.463,1089 38.091,1090 54.612,1091 56.187,1092 56.097,1093 54.327,1094 54.291,1095 74.038,1096 7.704,1097 161.317,1098 50.354,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.193,1108 19.021,1109 1.517,1110 1.561,1111 1.558,1112 1.509,1113 1.508,1114 2.057,1115 0.214,1116 4.481,1117 1.399,1118 4.168,1119 4.192,1120 4.793,1121 4.13,1122 7.717,1123 4.061,1124 3.998,1125 3.966,1126 4.168,1127 3.981,1128 7.43,1129 3.925,1130 3.89,1131 3.926,1132 4.078,1133 3.791,1134 6.999,1135 3.796,1136 3.594,1137 3.646,1138 3.834,1139 3.528,1140 5.052,1141 3.423,1142 3.559,1143 3.551,1144 3.5,1145 3.361,1146 4.886,1147 3.384,1148 3.409,1149 3.452,1150 3.344,1151 3.192,1152 4.856,1153 3.208,1154 3.224,1155 3.291,1156 3.168,1157 3,1158 4.604,1159 2.998,1160 3.145,1161 3.216,1162 3.065,1163 2.972,1164 4.261,1165 2.969,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.193,1184 1.95,1185 1.931,1186 2.033,1187 2.062,1188 1.211,1189 2.056,1190 1.868,1191 1.842,1192 1.963,1193 1.986,1194 1.106,1195 1.988,1196 1.728,1197 1.773,1198 1.747,1199 1.845,1200 0.941,1201 1.882,1202 1.518,1203 1.461,1204 1.615,1205 1.765,1206 0.843,1207 1.763,1208 1.417,1209 1.404,1210 1.586,1211 1.628,1212 0.678,1213 1.612,1214 1.351,1215 1.298,1216 1.536,1217 1.501,1218 0.606,1219 1.527,1220 1.182,1221 1.108,1222 1.417,1223 1.459,1224 0.576,1225 1.493,1226 1.143,1227 1.089,1228 1.319,1229 1.358,1230 0.489,1231 1.388,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 2.959,1242 5.917,1247 0.664,1248 5.287,1249 5.473,1257 36.382,1258 103.293,1259 220.709,1260 264.419,1261 288.07,1262 288.07,1263 288.07,1264 75.552,1265 7.925,1266 115.21,1267 151.83,1268 22,1269 12.853,1270 4.644,1271 3.858,1272 54.105,1273 139,1274 160,1275 0.189,1276 233.913,1277 394.81,1278 562.508,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.609,1284 24.691,1285 20.091,1286 15.763,1287 0.438,1288 0.346,1289 9.823,1290 13.728,1291 9.32,1292 7.727,1293 17.281,1294 12.443,1295 15.01,1296 0.289,1297 0.206,1298 17.584,1299 10.714,1300 11.699,1301 0.175,1302 0.116,1303 14.089,1304 7.798,1305 9.957,1306 0.109,1307 0.064,1308 12.157,1309 5.782,1310 8.044,1311 0.071,1312 0.037,1313 10.447,1314 4.221,1315 0.294,1316 115.013,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 604.467,1322 285.208,1323 648.1,1324 862.98,1325 598,1326 207,1327 564.212,1328 304.678,1329 630.743,1330 920.21,1331 588,1332 7}
{0 CHEMBL2326629,1 1.949,2 12.212,3 3.825,4 14.632,5 129.004,6 9.548,7 0.583,8 4.1,9 4.187,10 4.018,11 3.708,12 5.248,13 3.668,14 4.621,15 4.751,16 4.44,17 4.092,18 5.974,19 4.03,20 4.789,21 4.941,22 4.398,23 4.133,24 6.027,25 4.082,26 4.836,27 4.995,28 4.394,29 4.135,30 6.11,31 4.086,32 4.882,33 5.064,34 4.433,35 4.151,36 6.161,37 4.1,38 4.899,39 5.088,40 4.36,41 4.193,42 6.127,43 4.122,44 4.877,45 5.045,46 4.369,47 4.202,48 6.12,49 4.128,50 4.868,51 5.034,52 4.272,53 4.173,54 6.101,55 4.063,56 0.189,57 0.84,58 9.25,59 5.071,60 19.291,61 4.993,62 0.598,63 1.316,64 24.467,65 9.135,66 60.962,67 8.816,68 0.696,69 1.53,70 27.822,71 9.946,72 68.185,73 9.507,74 0.767,75 1.559,76 28.443,77 10.183,78 71.243,79 10.639,80 0.873,81 1.605,82 28.482,83 10.466,84 82.461,85 11.571,86 0.907,87 1.662,88 33.658,89 11.415,90 74.716,91 11.926,92 0.776,93 1.561,94 31.799,95 11.934,96 88.48,97 12.18,98 0.839,99 1.498,100 31.618,101 12.337,102 93.559,103 12.551,104 43,105 52,106 0.319,107 0.661,108 0.783,109 0.87,110 0.882,111 0.888,112 3.532,113 1.038,114 -3.25,115 -3.24,116 -3.11,119 39.6,120 1,124 1,125 2,138 8,139 1,140 1,142 2,143 1,148 1,149 2,151 1,159 1,163 5,165 1,166 8,169 4,171 2,172 8,175 1,176 9,179 2,181 3,183 2,186 5,187 10,190 1,192 4,197 3,198 10,203 3,205 5,208 2,209 10,212 2,214 1,217 5,220 1,221 9,224 1,226 1,227 10,230 3,231 6,236 3,238 6,241 1,242 7,246 1,247 1,249 6,252 1993,253 21.858,254 21.858,255 21.858,256 21.858,257 21.858,258 18.876,259 27.398,260 12.722,261 22.742,262 17.741,263 17.741,264 17.741,265 17.741,266 17.741,267 13.058,268 37.56,269 6,270 19.21,271 3.779,272 1.683,273 0.934,274 0.406,275 0.33,276 0.293,277 4.221,280 1,283 1,284 856,285 4.301,287 163.061,288 196.778,291 139.149,295 1.807,296 46.268,299 0.75,300 0.67,301 0.83,302 0.5,304 0.67,305 1,306 0.63,307 72.833,308 403,309 4.882,310 4.689,311 7.322,312 4.347,313 3.431,314 4.768,315 1.909,316 12.608,317 3.192,318 4.683,319 3.52,320 6.925,321 4.168,322 3.227,323 4.632,324 0.86,325 11.652,326 2.971,327 4.084,328 3.372,329 5.839,330 3.675,331 2.715,332 3.68,333 0.561,334 8.158,335 2.604,336 3.86,337 2.93,338 5.551,339 3.35,340 2.419,341 3.424,342 0.522,343 7.416,344 2.287,345 3.732,346 2.895,347 5.365,348 3.249,349 2.397,350 3.159,352 6.797,353 2.162,354 3.549,355 2.662,356 5.116,357 3.193,358 2.204,359 2.745,361 6.032,362 1.999,363 3.388,364 2.387,365 5.015,366 2.958,367 2.005,368 2.726,370 5.926,371 1.908,372 3.295,373 2.145,374 4.609,375 2.884,376 1.918,377 2.535,379 5.003,380 1.817,381 2.8,382 1.645,383 4.507,384 2.37,385 1.416,386 1.892,388 4.109,389 1.346,390 2.774,391 1.613,392 4.438,393 2.239,394 1.349,395 1.873,397 3.874,398 1.185,399 2.659,400 1.317,401 3.732,402 2.162,403 1.185,404 1.729,406 2.797,407 1.155,408 2.63,409 1.217,410 3.497,411 2.124,412 1.176,413 1.675,415 2.629,416 1.035,417 2.179,418 1.057,419 3.283,420 1.56,421 0.687,422 1.019,424 1.671,425 0.578,426 1.778,427 0.953,428 3.143,429 1.504,430 0.548,431 0.632,433 1.22,434 0.52,435 1.64,436 0.796,437 3.023,438 1.343,439 0.469,440 0.531,442 0.768,443 0.406,444 16.214,445 0.491,446 0.995,447 0.03,448 45,449 1.364,450 23.5,451 0.712,452 21.5,453 0.652,454 28.565,455 0.866,456 35.386,457 0.668,458 37.355,459 1.132,460 8.82,461 0.267,462 6.943,463 0.21,464 0.167,465 0.051,466 0.302,472 0.625,473 1.264,474 0.682,475 1.056,476 0.638,477 0.858,478 0.773,479 1.099,480 0.609,481 0.769,482 0.569,483 0.786,484 1.17,485 1.108,486 0.994,487 1.036,488 1.148,489 0.954,490 0.949,491 1.211,492 0.766,493 0.959,494 0.959,495 1.016,496 0.789,497 1.113,498 0.663,499 0.871,500 0.765,501 0.914,502 0.965,503 0.829,504 0.907,505 0.836,506 0.775,507 0.824,508 1.065,509 0.947,510 0.891,511 0.97,512 1.201,513 0.937,514 1.103,515 1.042,516 1.051,517 1.057,518 1.186,519 1.122,520 8.5,521 0.27,522 3.778,523 2.979,524 2.011,525 1.487,526 0.974,527 0.583,528 0.508,529 0.325,530 14394,531 51727,532 2.036,533 37.7,535 15,538 2,539 3,542 1.757,543 1.877,544 3.552,545 0.312,550 103.293,551 1.949,552 4.045,553 4.794,554 5.322,555 5.398,556 5.435,557 3.052,558 4.741,559 5.01,560 3.724,561 1966.16,562 8.808,563 28977.9,568 303.58,569 1.628,570 4.954,571 0.236,572 0.009,573 0.073,574 0.058,575 0.039,576 0.029,577 0.019,578 0.011,579 0.012,580 0.009,581 0.493,582 0.33,583 0.88,584 1.151,585 173.971,586 0.031,587 -0.101,588 0.114,589 -0.057,590 -0.126,591 0.014,592 0.121,593 -0.005,594 0.226,595 0.183,596 0.192,597 0.105,598 -0.177,599 -0.018,600 -0.076,601 -0.069,602 -0.166,603 -0.057,604 0.023,605 -0.163,606 0.006,607 -0.089,608 -0.021,609 -0.126,610 0.129,611 -0.098,612 0.139,613 -0.016,614 0.099,615 0.013,616 -0.032,617 0.225,618 -0.022,619 0.115,620 0.04,621 0.123,622 -0.091,623 0.046,624 -0.012,625 0.01,626 -0.104,627 0.03,628 -0.093,629 -0.079,630 -0.121,631 -0.057,632 -0.124,633 -0.14,634 4.81,635 5.901,636 0.606,637 34.793,638 1.026,639 1.121,640 2.023,641 4.094,642 0.719,643 3.611,644 3.97,645 4.22,646 4.522,647 4.736,648 4.86,649 5.017,650 5.159,651 5.293,652 5.384,653 7.144,654 0.686,655 506.05,656 3.611,657 5.176,658 6.028,659 6.93,660 7.809,661 8.718,662 9.61,663 10.523,664 11.422,665 12.338,666 9.4,671 1,673 1,674 1,676 2,680 2,681 8,682 2,685 1,686 6,687 1,688 21,701 1,702 1,703 53,705 24,706 1,707 36,709 56,710 21,711 16,712 3,713 3,717 4,718 5,719 1,721 1,729 17,730 4,733 3,736 1,737 3,741 1,747 20,748 8,749 2,750 12,751 3,755 5,760 0.75,761 4,769 1,770 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,805 33,808 1,810 2,811 2,812 1,820 1,824 1,825 7.5,828 3,830 1,832 17.583,833 10.16,834 7.153,835 2.841,836 3.729,837 1.471,838 1.001,839 7.119,840 11.654,841 3.922,842 4.595,843 5.152,844 5.782,845 6.267,846 6.62,847 7.022,848 7.455,849 7.812,850 8.165,851 1,852 51,853 12.473,854 5.632,855 7.996,856 22.747,857 18.64,859 2.496,860 82.361,864 211.88,865 160.995,866 69.641,867 39.149,868 80.458,870 37.085,871 123.91,872 331.486,873 69.641,874 19.708,875 22.222,876 81.617,877 124.016,878 27.78,879 43.621,880 243.158,882 211.88,883 193.551,884 80.458,885 76.234,887 211.88,888 80.458,891 40.011,892 103.686,893 55.661,894 70.426,895 211.88,896 150.099,897 200.143,899 5.807,900 211.88,901 59.669,902 97.295,903 34.416,904 153.055,905 211.88,906 150.099,907 200.143,909 0.588,910 0.332,911 0.18,912 0.103,913 25,914 12,915 0.143,916 8,917 1,918 1.1,919 4.252,920 311.359,921 0.1,922 20,923 164.465,924 1,927 1,928 23.796,929 9.872,930 5.423,931 1.2,932 148.322,933 13.825,934 9.088,937 0.956,938 2.47,939 1.654,940 34.416,941 562.122,942 49.5,945 -3.894,946 36.995,950 -0.142,952 54.364,953 59.435,954 0.34,955 0.706,956 0.837,957 0.929,958 0.942,959 0.949,960 5.172,961 1.918,962 6.057,963 5.926,964 4.654,965 5.283,966 2.263,967 6.923,968 4.513,969 6.431,970 1.416,971 7.654,972 5.003,973 4.443,974 5.394,975 1.593,976 8.102,977 4.211,978 7.79,979 1.349,980 9.361,981 4.109,982 6.337,983 7.64,984 2.986,985 11.169,986 6.061,987 9.192,988 1.185,989 11.138,990 3.874,991 6.929,992 8.572,993 3.032,994 13.198,995 6.552,996 10.629,997 1.176,998 12.962,999 2.797,1000 8.355,1001 10.353,1002 4.061,1003 15.866,1004 7.933,1005 12.092,1006 0.687,1007 14.82,1008 2.629,1009 9.298,1010 11.639,1011 4.414,1012 18.208,1013 8.778,1014 13.576,1015 0.548,1016 16.705,1017 1.671,1018 10.567,1019 13.263,1020 5.262,1021 20.764,1022 9.992,1023 3.431,1024 0.469,1025 18.61,1026 1.22,1027 11.664,1028 14.701,1029 5.757,1030 23.217,1031 10.998,1032 3.227,1033 12.608,1034 20.53,1035 0.768,1036 12.884,1037 16.271,1038 6.511,1039 25.741,1040 12.154,1041 2.715,1042 11.652,1043 22.463,1044 4.768,1045 14.046,1046 17.773,1047 7.078,1048 28.232,1049 13.232,1050 2.419,1051 8.158,1052 24.405,1053 4.632,1054 15.255,1055 19.326,1056 7.782,1057 30.748,1058 14.371,1059 2.397,1060 7.416,1061 26.354,1062 3.68,1063 16.445,1064 20.855,1065 8.386,1066 33.254,1067 15.481,1068 2.204,1069 6.797,1070 28.31,1071 3.424,1072 17.653,1073 22.404,1074 9.064,1075 35.77,1076 16.617,1077 2.005,1078 6.032,1079 30.27,1080 3.159,1081 18.857,1082 23.944,1083 9.687,1084 38.283,1085 17.744,1086 13996,1087 26809,1088 23.463,1089 38.091,1090 54.612,1091 56.187,1092 56.097,1093 54.337,1094 54.291,1095 74.038,1096 7.704,1097 161.317,1098 50.329,1099 5.731,1100 6.689,1101 6.909,1102 5.519,1103 5.431,1104 7.768,1105 3.31,1106 20.175,1107 5.192,1108 19.021,1109 1.517,1110 1.561,1111 1.558,1112 1.509,1113 1.508,1114 2.057,1115 0.214,1116 4.481,1117 1.398,1118 4.167,1119 4.191,1120 4.793,1121 4.13,1122 7.717,1123 4.06,1124 3.998,1125 3.965,1126 4.168,1127 3.978,1128 7.43,1129 3.924,1130 3.889,1131 3.927,1132 4.077,1133 3.786,1134 6.999,1135 3.792,1136 3.593,1137 3.645,1138 3.833,1139 3.528,1140 5.054,1141 3.423,1142 3.559,1143 3.551,1144 3.499,1145 3.361,1146 4.885,1147 3.383,1148 3.418,1149 3.459,1150 3.349,1151 3.216,1152 4.841,1153 3.228,1154 3.225,1155 3.293,1156 3.169,1157 3.01,1158 4.6,1159 3.003,1160 3.147,1161 3.216,1162 3.065,1163 2.973,1164 4.261,1165 2.975,1166 0.136,1167 0.13,1168 0.203,1169 0.121,1170 0.095,1171 4.882,1172 0.132,1173 4.689,1174 0.053,1175 7.322,1176 0.35,1177 4.347,1178 0.089,1179 3.431,1180 4.768,1181 1.909,1182 12.608,1183 3.192,1184 1.946,1185 1.928,1186 2.027,1187 2.061,1188 1.195,1189 2.053,1190 1.864,1191 1.835,1192 1.965,1193 1.986,1194 1.089,1195 1.988,1196 1.729,1197 1.775,1198 1.746,1199 1.846,1200 0.944,1201 1.884,1202 1.518,1203 1.461,1204 1.618,1205 1.764,1206 0.85,1207 1.762,1208 1.42,1209 1.405,1210 1.596,1211 1.634,1212 0.7,1213 1.624,1214 1.372,1215 1.325,1216 1.548,1217 1.501,1218 0.606,1219 1.527,1220 1.186,1221 1.118,1222 1.429,1223 1.461,1224 0.578,1225 1.497,1226 1.143,1227 1.089,1228 1.332,1229 1.359,1230 0.54,1231 1.391,1232 4.29,1233 5.638,1234 3.045,1235 7.163,1236 5.416,1237 8.774,1238 7.535,1239 10.436,1241 2.955,1242 5.915,1247 0.593,1248 5.279,1249 5.467,1257 36.382,1258 103.293,1259 214.361,1260 254.07,1261 282.07,1262 286.07,1263 288.07,1264 75.855,1265 7.925,1266 115.21,1267 151.83,1268 22,1269 12.853,1270 4.644,1271 3.858,1272 54.105,1273 139,1274 160,1275 0.189,1276 233.913,1277 394.81,1278 562.508,1279 30173,1280 1.9,1281 23.587,1282 0.715,1283 0.609,1284 24.691,1285 20.091,1286 15.763,1287 0.438,1288 0.346,1289 9.834,1290 13.735,1291 9.335,1292 7.736,1293 17.281,1294 12.453,1295 15.01,1296 0.289,1297 0.205,1298 17.584,1299 10.679,1300 11.699,1301 0.175,1302 0.116,1303 14.089,1304 7.761,1305 9.957,1306 0.109,1307 0.063,1308 12.157,1309 5.756,1310 8.044,1311 0.071,1312 0.037,1313 10.447,1314 4.197,1315 0.294,1316 114.967,1317 0.206,1318 30.444,1319 0.528,1320 176,1321 604.467,1322 285.541,1323 647.982,1324 863.86,1325 598,1326 207,1327 566.564,1328 305.039,1329 632.23,1330 923.21,1331 590,1332 6.9}
{0 CHEMBL2326630,1 2.004,2 12.235,3 4.324,4 18.7,5 132.122,6 9.686,7 0.568,8 4.119,9 4.201,10 4.04,11 3.734,12 5.293,13 3.696,14 4.643,15 4.768,16 4.469,17 4.127,18 6.022,19 4.07,20 4.826,21 4.964,22 4.456,23 4.181,24 6.14,25 4.135,26 4.91,27 5.078,28 4.446,29 4.179,30 6.205,31 4.137,32 4.935,33 5.113,34 4.491,35 4.193,36 6.292,37 4.151,38 4.938,39 5.118,40 4.427,41 4.239,42 6.173,43 4.171,44 4.944,45 5.11,46 4.45,47 4.243,48 6.379,49 4.181,50 4.915,51 5.075,52 4.38,53 4.209,54 6.189,55 4.12,56 0.215,57 0.89,58 8.878,59 5.295,60 22.441,61 5.072,62 0.647,63 1.403,64 24.112,65 9.576,66 65.103,67 9.05,68 0.824,69 1.665,70 27.038,71 10.868,72 85.336,73 10.24,74 0.912,75 1.763,76 31.397,77 11.348,78 90.328,79 11.68,80 1.134,81 1.876,82 29.502,83 11.254,84 109.152,85 11.889,86 1,87 1.806,88 33.824,89 12.355,90 96.907,91 12.49,92 1.111,93 1.792,94 33.499,95 13.124,96 160.492,97 12.938,98 0.923,99 1.714,100 33.826,101 13.441,102 96.879,103 12.898,104 56,105 54,106 0.326,107 0.668,108 0.794,109 0.878,110 0.885,111 0.891,112 3.561,113 1.029,114 -4.31,115 -4.25,116 -4.01,119 40.7,120 1,124 1,125 2,138 8,139 3,140 2,143 1,148 1,149 2,151 1,159 1,163 8,165 1,166 6,169 4,171 3,172 11,176 10,179 1,181 4,183 5,186 4,187 11,190 1,192 4,194 3,197 2,198 9,203 4,205 9,208 2,209 9,212 1,214 2,217 9,221 11,224 1,226 2,227 8,230 1,231 9,236 3,238 6,241 1,242 7,246 1,247 1,249 7,252 2140,253 22.358,254 22.358,255 22.358,256 22.358,257 22.358,258 19.324,259 27.783,260 12.893,261 23.227,262 18.209,263 18.209,264 18.209,265 18.209,266 18.209,267 13.446,268 37.164,269 6.067,270 19.672,271 3.751,272 1.652,273 0.88,274 0.361,275 0.324,276 0.287,277 4.248,280 1,283 1,284 881,285 4.359,287 169.146,288 203.365,291 143.825,295 1.779,296 55.481,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 75.833,308 416,309 4.885,310 4.689,311 7.323,312 4.358,313 3.437,314 4.783,315 1.909,316 12.625,317 3.213,318 4.713,319 3.52,320 6.989,321 4.194,322 3.26,323 4.653,324 0.86,325 11.856,326 2.98,327 4.096,328 3.472,329 6.036,330 3.719,331 2.737,332 3.687,333 0.561,334 8.592,335 2.697,336 3.917,337 3.027,338 5.625,339 3.491,340 2.552,341 3.437,342 0.522,343 7.699,344 2.381,345 3.857,346 2.899,347 5.483,348 3.268,349 2.419,350 3.407,352 6.973,353 2.219,354 3.565,355 2.819,356 5.233,357 3.223,358 2.245,359 2.85,361 6.435,362 2.049,363 3.47,364 2.481,365 5.029,366 3.046,367 2.083,368 2.732,370 5.932,371 1.953,372 3.297,373 2.197,374 4.758,375 2.9,376 1.919,377 2.541,379 5.027,380 1.848,381 2.933,382 2.071,383 4.588,384 2.478,385 1.547,386 2.099,388 4.694,389 1.437,390 2.8,391 1.636,392 4.44,393 2.352,394 1.415,395 1.892,397 3.93,398 1.309,399 2.721,400 1.578,401 4.217,402 2.19,403 1.303,404 1.793,406 3.558,407 1.176,408 2.635,409 1.304,410 3.501,411 2.157,412 1.185,413 1.684,415 2.634,416 1.043,417 2.18,418 1.057,419 3.307,420 1.562,421 0.689,422 1.019,424 1.672,425 0.58,426 1.796,427 1.01,428 3.245,429 1.517,430 0.604,431 0.699,433 1.22,434 0.528,435 1.778,436 0.797,437 3.068,438 1.476,439 0.547,440 0.632,442 1.116,443 0.519,444 16.6,445 0.488,446 1.084,447 0.032,448 45.25,449 1.331,450 23.5,451 0.691,452 21.75,453 0.64,454 30.653,455 0.902,456 36.8,457 0.681,458 39.167,459 1.152,460 8.951,461 0.263,462 7.223,463 0.212,464 0.181,465 0.05,466 0.325,470 1,472 0.588,473 1.094,474 0.674,475 1.033,476 0.6,477 0.847,478 0.722,479 0.971,480 0.601,481 0.756,482 0.563,483 0.773,484 1.009,485 1.201,486 0.968,487 1.118,488 1.042,489 1.037,490 0.936,491 1.151,492 0.737,493 0.916,494 0.917,495 0.962,496 0.851,497 0.957,498 0.69,499 0.844,500 0.907,501 0.912,502 0.892,503 0.869,504 0.869,505 0.882,506 0.814,507 0.88,508 0.991,509 0.961,510 0.868,511 0.94,512 1.017,513 0.918,514 1.107,515 1.097,516 1.023,517 1.093,518 1.106,519 1.087,520 9,521 0.299,522 4.222,523 3.167,524 2.362,525 1.622,526 1.095,527 0.708,528 0.567,529 0.42,530 15275,531 57314,532 2.018,533 37,535 15,538 2,539 3,542 1.766,543 1.846,544 3.539,545 0.293,550 108.218,551 2.004,552 4.103,553 4.875,554 5.394,555 5.431,556 5.468,557 3.032,558 4.735,559 5.053,560 3.723,561 2088.47,562 8.899,563 31308.1,568 310.764,569 1.667,570 4.989,571 0.243,572 0.009,573 0.078,574 0.059,575 0.043,576 0.029,577 0.02,578 0.013,579 0.012,580 0.01,581 0.516,582 0.17,583 0.88,584 1.159,585 180.497,586 0.021,587 -0.047,588 0.106,589 -0.039,590 -0.098,591 0.025,592 0.089,593 0.026,594 0.22,595 0.193,596 0.143,597 0.123,598 -0.07,599 -0.16,600 -0.071,601 -0.145,602 -0.099,603 -0.128,604 -0.01,605 -0.155,606 0.045,607 -0.046,608 -0.027,609 -0.049,610 0.124,611 0.103,612 0.112,613 0.015,614 0.04,615 0.01,616 -0.029,617 0.087,618 0.003,619 0.066,620 -0.026,621 0.078,622 0.023,623 0.073,624 0.011,625 0.037,626 0.089,627 0.051,628 -0.125,629 -0.158,630 -0.07,631 -0.074,632 -0.112,633 -0.095,634 4.93,635 6.509,636 0.588,637 36.585,638 1.031,639 1.124,640 3.083,641 9.506,642 0.718,643 3.638,644 4.007,645 4.263,646 4.564,647 4.787,648 4.927,649 5.094,650 5.236,651 5.371,652 5.476,653 7.172,654 0.69,655 523.05,656 3.638,657 5.209,658 6.066,659 6.973,660 7.856,661 8.769,662 9.665,663 10.582,664 11.488,665 12.408,666 7.4,671 1,673 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 1,702 2,703 54,705 24,706 2,707 37,709 57,710 22,711 17,712 6,713 6,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,745 1,747 20,748 8,749 2,750 12,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,803 1,805 34,808 1,810 2,811 2,812 1,820 1,824 2,825 7.4,828 3,830 1,832 18.417,833 10.352,834 7.347,835 2.895,836 3.703,837 1.464,838 1.003,839 7.356,840 11.692,841 3.942,842 4.625,843 5.186,844 5.817,845 6.32,846 6.696,847 7.104,848 7.532,849 7.895,850 8.256,851 1,852 54,853 12.942,854 5.959,855 8.118,856 23.298,857 19.215,859 2.618,860 89.028,864 211.88,865 170.973,866 52.855,867 39.149,868 80.458,869 14.96,870 37.085,871 133.888,872 331.486,873 67.815,874 19.708,875 22.222,876 81.617,877 107.231,878 37.758,879 58.581,880 243.158,882 211.88,883 186.744,884 95.418,885 76.234,887 226.84,888 80.458,891 34.497,892 119.178,893 38.875,894 70.426,895 226.84,896 133.313,897 210.122,899 5.807,900 211.88,901 69.648,902 97.295,903 34.416,904 151.23,905 211.88,906 148.273,907 210.122,909 0.591,910 0.336,911 0.181,912 0.103,913 26,914 13,915 0.14,916 8,917 1,918 1.1,919 4.28,920 326.906,921 0.1,922 20,923 170.974,924 1,927 1,928 24.764,929 10.1,930 5.503,931 0.676,932 146.497,933 13.127,934 4.437,937 0.895,938 1.236,939 1.564,940 34.416,941 570.275,942 50.5,945 -4.013,946 37.027,950 -0.137,952 55.658,953 60.691,954 0.348,955 0.713,956 0.847,957 0.937,958 0.944,959 0.95,960 5.2,961 1.919,962 6.103,963 5.932,964 4.691,965 5.313,966 2.263,967 6.978,968 4.556,969 6.466,970 1.547,971 7.708,972 5.027,973 4.511,974 5.453,975 1.593,976 8.165,977 4.288,978 7.831,979 1.415,980 9.423,981 4.694,982 6.385,983 7.678,984 2.986,985 11.237,986 6.125,987 9.236,988 1.303,989 11.204,990 3.93,991 6.995,992 8.625,993 3.032,994 13.263,995 6.635,996 10.676,997 1.185,998 13.031,999 3.558,1000 8.411,1001 10.395,1002 4.061,1003 15.936,1004 8.013,1005 12.141,1006 0.689,1007 14.891,1008 2.634,1009 9.363,1010 11.688,1011 4.414,1012 18.275,1013 8.865,1014 13.626,1015 0.604,1016 16.775,1017 1.672,1018 10.628,1019 13.307,1020 5.262,1021 20.836,1022 10.08,1023 3.437,1024 0.547,1025 18.68,1026 1.22,1027 11.728,1028 14.748,1029 5.757,1030 23.287,1031 11.089,1032 3.26,1033 12.625,1034 20.599,1035 1.116,1036 12.947,1037 16.318,1038 6.511,1039 25.815,1040 12.247,1041 2.737,1042 11.856,1043 22.53,1044 4.783,1045 14.111,1046 17.822,1047 7.078,1048 28.307,1049 13.327,1050 2.552,1051 8.592,1052 24.471,1053 4.653,1054 15.32,1055 19.377,1056 7.782,1057 30.827,1058 14.469,1059 2.419,1060 7.699,1061 26.42,1062 3.687,1063 16.512,1064 20.908,1065 8.386,1066 33.334,1067 15.582,1068 2.245,1069 6.973,1070 28.374,1071 3.437,1072 17.722,1073 22.459,1074 9.064,1075 35.852,1076 16.721,1077 2.083,1078 6.435,1079 30.333,1080 3.407,1081 18.927,1082 24.003,1083 9.687,1084 38.367,1085 17.851,1086 14904,1087 29167,1088 23.868,1089 38.784,1090 56.335,1091 58.181,1092 58.18,1093 55.988,1094 55.883,1095 75.814,1096 7.704,1097 167.924,1098 51.865,1099 5.734,1100 6.689,1101 6.879,1102 5.53,1103 5.437,1104 7.783,1105 3.31,1106 20.195,1107 5.213,1108 20.822,1109 1.523,1110 1.572,1111 1.572,1112 1.513,1113 1.51,1114 2.049,1115 0.208,1116 4.538,1117 1.402,1118 4.172,1119 4.195,1120 4.793,1121 4.131,1122 8.201,1123 4.066,1124 4.001,1125 3.969,1126 4.169,1127 3.986,1128 7.717,1129 3.928,1130 3.916,1131 3.94,1132 4.087,1133 3.856,1134 7.43,1135 3.852,1136 3.596,1137 3.648,1138 3.854,1139 3.528,1140 6.999,1141 3.425,1142 3.562,1143 3.557,1144 3.504,1145 3.362,1146 5.016,1147 3.384,1148 3.431,1149 3.465,1150 3.397,1151 3.215,1152 4.885,1153 3.235,1154 3.229,1155 3.295,1156 3.169,1157 3.01,1158 4.718,1159 3.005,1160 3.15,1161 3.219,1162 3.073,1163 2.974,1164 4.57,1165 2.976,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.885,1172 0.129,1173 4.689,1174 0.052,1175 7.323,1176 0.341,1177 4.358,1178 0.087,1179 3.437,1180 4.783,1181 1.909,1182 12.625,1183 3.213,1184 1.963,1185 1.94,1186 2.065,1187 2.067,1188 1.244,1189 2.065,1190 1.901,1191 1.888,1192 1.963,1193 1.993,1194 1.139,1195 1.995,1196 1.729,1197 1.778,1198 1.747,1199 1.847,1200 0.945,1201 1.884,1202 1.518,1203 1.461,1204 1.619,1205 1.766,1206 0.847,1207 1.763,1208 1.421,1209 1.405,1210 1.595,1211 1.636,1212 0.702,1213 1.624,1214 1.371,1215 1.324,1216 1.545,1217 1.501,1218 0.606,1219 1.527,1220 1.186,1221 1.117,1222 1.43,1223 1.462,1224 0.578,1225 1.495,1226 1.142,1227 1.088,1228 1.324,1229 1.359,1230 0.538,1231 1.391,1232 4.317,1233 5.673,1234 3.045,1235 7.206,1236 5.416,1237 8.825,1238 7.535,1239 10.496,1241 2.747,1242 5.894,1243 14.509,1247 0.641,1248 5.187,1249 5.238,1257 37.271,1258 108.218,1259 221.545,1260 263.254,1261 291.254,1262 293.254,1263 295.254,1264 92.289,1265 7.989,1266 102.32,1267 138.94,1268 22,1269 12.919,1270 4.644,1271 3.858,1272 56.584,1273 144,1274 168,1275 0.192,1276 237.909,1277 407.18,1278 572.259,1279 32058,1280 3.7,1281 24.457,1282 0.719,1283 0.604,1284 24.691,1285 20.522,1286 16.174,1287 0.437,1288 0.343,1289 10.06,1290 14.103,1291 9.561,1292 7.914,1293 17.281,1294 12.689,1295 15.537,1296 0.288,1297 0.204,1298 17.584,1299 10.999,1300 12.17,1301 0.174,1302 0.114,1303 14.089,1304 7.999,1305 10.329,1306 0.109,1307 0.063,1308 12.157,1309 5.956,1310 8.277,1311 0.07,1312 0.036,1313 10.447,1314 4.337,1315 0.297,1316 117.889,1317 0.205,1318 31.115,1319 0.538,1320 182,1321 678.933,1322 293.318,1323 693.236,1324 912.77,1325 638,1326 215,1327 592.08,1328 315.003,1329 653.589,1330 956.78,1331 609,1332 7.9}
{0 CHEMBL2326631,1 1.969,2 13.216,3 4.448,4 19.786,5 143.03,6 9.297,7 0.525,8 4.232,9 4.318,10 4.103,11 3.821,12 5.404,13 3.784,14 4.764,15 4.894,16 4.55,17 4.224,18 6.124,19 4.174,20 4.995,21 5.13,22 4.562,23 4.298,24 6.384,25 4.254,26 5.114,27 5.311,28 4.502,29 4.279,30 6.383,31 4.231,32 5.032,33 5.212,34 4.537,35 4.28,36 6.364,37 4.231,38 5.072,39 5.273,40 4.506,41 4.339,42 6.271,43 4.269,44 5.046,45 5.197,46 4.538,47 4.364,48 6.483,49 4.303,50 5.096,51 5.278,52 4.472,53 4.354,54 6.318,55 4.257,56 0.251,57 0.982,58 11.282,59 6.116,60 28.958,61 6.116,62 0.692,63 1.552,64 28.239,65 10.942,66 76.811,67 10.898,68 1.036,69 1.88,70 32.444,71 12.73,72 116.123,73 12.796,74 1.274,75 2.014,76 43.539,77 13.444,78 144.929,79 14.53,80 1.204,81 2.006,82 33.832,83 12.403,84 120.011,85 13.755,86 1.105,87 1.985,88 42.261,89 14.29,90 112.911,91 15.814,92 1.142,93 1.967,94 34.949,95 14.248,96 161.473,97 14.386,98 1.048,99 1.978,100 42.835,101 16.054,102 114.154,103 16.935,104 89,105 60,106 0.314,107 0.668,108 0.788,109 0.861,110 0.866,111 0.871,112 3.642,113 1.025,114 -3.99,115 -3.94,116 -3.74,119 39.3,120 2,124 1,125 2,129 1,138 8,139 3,140 2,143 1,148 1,149 2,151 1,159 1,163 8,165 1,166 5,169 4,171 4,172 12,176 12,179 2,180 1,181 6,183 5,186 4,187 11,190 1,192 4,194 2,197 2,198 9,203 5,205 9,208 2,209 9,212 1,214 4,217 11,221 11,224 1,226 4,227 11,230 1,231 8,236 4,238 8,241 1,242 8,245 1,246 1,247 1,249 7,252 2797,253 23.83,254 23.83,255 23.83,256 23.83,257 23.83,258 20.886,259 30.533,260 13.449,261 24.761,262 19.649,263 19.649,264 19.649,265 19.649,266 19.649,267 14.949,268 41.131,269 6.287,270 21.211,271 3.962,272 1.739,273 0.988,274 0.529,275 0.496,276 0.463,277 4.325,280 1,283 1,284 1029,285 5,287 188.133,288 229.164,291 161.225,295 1.963,296 64.888,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 82.833,308 489,309 4.885,310 4.689,311 7.323,312 4.358,313 3.437,314 4.783,315 2.009,316 12.625,317 3.213,318 4.713,319 4.025,320 7.053,321 4.256,322 3.286,323 4.653,324 0.86,325 11.856,326 3.176,327 4.376,328 3.472,329 6.989,330 4.194,331 3.26,332 3.69,333 0.594,334 11.338,335 2.98,336 4.092,337 3.03,338 6.036,339 3.713,340 2.731,341 3.503,342 0.522,343 8.591,344 2.691,345 3.914,346 2.899,347 5.624,348 3.484,349 2.545,350 3.436,351 0.229,352 7.694,353 2.372,354 3.857,355 2.836,356 5.482,357 3.256,358 2.418,359 3.406,361 6.971,362 2.089,363 3.489,364 2.659,365 5.233,366 3.104,367 2.151,368 2.846,370 6.43,371 1.974,372 3.33,373 2.468,374 5.018,375 2.929,376 1.971,377 2.596,379 5.897,380 1.857,381 2.94,382 2.196,383 4.749,384 2.566,385 1.589,386 2.103,388 4.732,389 1.537,390 2.872,391 2.071,392 4.444,393 2.468,394 1.534,395 1.903,397 4.134,398 1.426,399 2.797,400 1.636,401 4.37,402 2.343,403 1.401,404 1.86,406 3.923,407 1.302,408 2.715,409 1.578,410 4.216,411 2.185,412 1.301,413 1.767,415 3.554,416 1.17,417 2.632,418 1.304,419 3.504,420 2.155,421 1.176,422 1.68,424 2.623,425 1.043,426 2.18,427 1.051,428 3.307,429 1.562,430 0.689,431 1.019,433 1.672,434 0.58,435 1.796,436 1.01,437 3.246,438 1.477,439 0.604,440 0.698,442 1.118,443 0.521,444 17.933,445 0.485,446 1.373,447 0.037,448 47,449 1.27,450 23.5,451 0.635,452 23.5,453 0.635,454 36.848,455 0.996,456 40.867,457 0.67,458 42.965,459 1.161,460 9.105,461 0.246,462 8.28,463 0.224,464 0.214,465 0.074,466 0.301,470 1,472 0.648,473 1.113,474 0.692,475 1.04,476 0.678,477 0.871,478 0.725,479 0.989,480 0.584,481 0.777,482 0.591,483 0.767,484 0.993,485 1.277,486 0.959,487 1.171,488 1.019,489 1.12,490 1.081,491 0.996,492 0.76,493 0.775,494 1.11,495 0.853,496 0.853,497 0.996,498 0.72,499 0.88,500 0.905,501 0.955,502 0.805,503 0.816,504 0.782,505 0.807,506 0.728,507 0.772,508 1.004,509 1.047,510 0.912,511 1.022,512 1.034,513 1.023,514 0.977,515 1.053,516 0.939,517 1.04,518 0.978,519 1.037,520 11,521 0.358,522 5.333,523 3.417,524 2.442,525 1.845,526 1.217,527 0.856,528 0.653,529 0.48,530 19574,531 71843,532 1.979,533 39.3,535 15,538 3,540 6,542 1.785,543 1.79,544 3.642,545 0.889,550 120.087,551 1.969,552 4.191,553 4.943,554 5.402,555 5.435,556 5.467,557 3.105,558 4.736,559 5.177,560 3.868,561 2576.39,562 9.135,563 41671.9,568 361.775,569 1.772,570 5.093,571 0.275,572 0.009,573 0.089,574 0.057,575 0.042,576 0.032,577 0.02,578 0.014,579 0.012,580 0.011,581 0.561,582 0.33,583 0.88,584 1.287,585 202.955,586 -0.007,587 -0.031,588 0.1,589 -0.01,590 -0.127,591 0.039,592 0.084,593 0.029,594 0.241,595 0.192,596 0.13,597 0.154,598 -0.011,599 -0.24,600 -0.079,601 -0.199,602 -0.033,603 -0.206,604 -0.092,605 -0.026,606 0.056,607 0.087,608 -0.1,609 0.072,610 0.097,611 0.077,612 0.084,613 -0.01,614 0.02,615 -0.028,616 0.015,617 0.132,618 0.105,619 0.147,620 0.022,621 0.215,622 -0.015,623 0.024,624 -0.066,625 -0.045,626 0.04,627 -0.076,628 -0.073,629 -0.125,630 -0.004,631 -0.033,632 -0.071,633 -0.024,634 4.963,635 6.575,636 0.541,637 43.4,638 1.029,639 1.127,640 2.759,641 7.615,642 0.701,643 3.714,644 4.111,645 4.344,646 4.595,647 4.812,648 4.97,649 5.13,650 5.283,651 5.412,652 5.537,653 7.884,654 0.673,655 567.11,656 3.714,657 5.303,658 6.159,659 7.069,660 7.949,661 8.861,662 9.753,663 10.668,664 11.567,665 12.485,666 6.6,671 1,673 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 1,702 2,703 61,705 24,706 2,707 40,709 64,710 24,711 17,712 6,713 6,717 4,718 5,719 1,721 2,729 18,730 6,731 1,733 3,736 1,737 3,741 1,745 1,747 24,748 9,749 3,750 13,751 3,755 4,760 0.75,761 5,764 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 3,802 1,803 1,805 37,808 1,809 1,810 2,811 2,812 1,816 1,820 1,824 2,825 8.2,826 1,828 3,830 1,832 20.667,833 11.802,834 7.847,835 3.257,836 3.727,837 1.456,838 0.957,839 8.045,840 11.894,841 3.998,842 4.682,843 5.235,844 5.826,845 6.325,846 6.707,847 7.115,848 7.546,849 7.908,850 8.277,851 0.889,852 60,853 14.128,854 6.573,855 8.156,856 25.307,857 20.99,859 2.656,860 98.278,864 247.193,865 179.799,866 52.855,867 39.149,868 123.141,869 14.96,870 37.085,871 142.714,872 409.483,873 67.815,874 28.533,875 22.222,876 124.301,877 107.231,878 37.758,879 58.581,880 278.471,882 247.193,883 195.569,884 138.101,885 76.234,887 191.527,888 151.084,889 42.683,891 43.323,892 119.178,893 38.875,894 70.426,895 262.153,896 175.996,897 218.947,899 5.807,900 247.193,901 69.648,902 106.12,903 34.416,904 193.913,905 247.193,906 190.957,907 218.947,909 0.604,910 0.344,911 0.169,912 0.092,913 29,914 15,915 0.141,916 9,917 1,918 1.1,919 4.468,920 364.452,921 0.1,922 20,923 188.75,924 1,927 1,928 27.64,929 10.769,930 6.198,931 0.614,932 189.18,933 12.857,934 4.437,937 0.881,938 0.958,939 1.533,940 77.099,941 657.097,942 53.5,945 -4.046,946 37.903,950 -0.506,952 62.753,953 68.731,954 0.332,955 0.707,956 0.833,957 0.911,958 0.916,959 0.922,960 5.279,961 1.971,962 6.229,963 6.43,964 4.796,965 5.371,966 2.378,967 7.128,968 4.664,969 6.559,970 1.589,971 7.861,972 5.897,973 4.745,974 5.551,975 1.593,976 8.433,977 4.535,978 7.936,979 1.534,980 9.604,981 4.732,982 6.553,983 7.732,984 3.217,985 11.451,986 6.308,987 9.351,988 1.401,989 11.414,990 4.134,991 7.259,992 8.692,993 3.201,994 13.525,995 6.937,996 10.798,997 1.301,998 13.266,999 3.923,1000 8.644,1001 10.441,1002 4.402,1003 16.17,1004 8.285,1005 12.268,1006 1.176,1007 15.147,1008 3.554,1009 9.649,1010 11.732,1011 4.719,1012 18.515,1013 9.217,1014 13.756,1015 0.689,1016 17.048,1017 2.623,1018 10.903,1019 13.34,1020 5.702,1021 21.056,1022 10.426,1023 3.437,1024 0.604,1025 18.965,1026 1.672,1027 12.027,1028 14.776,1029 6.184,1030 23.499,1031 11.482,1032 3.286,1033 12.625,1034 20.894,1035 1.118,1036 13.241,1037 16.339,1038 7.047,1039 26.011,1040 12.644,1041 3.26,1042 11.856,1043 22.831,1044 4.783,1045 14.413,1046 17.839,1047 7.619,1048 28.491,1049 13.751,1050 2.731,1051 11.338,1052 24.776,1053 4.653,1054 15.618,1055 19.389,1056 8.414,1057 30.996,1058 14.9,1059 2.545,1060 8.591,1061 26.726,1062 3.69,1063 16.81,1064 20.917,1065 9.038,1066 33.492,1067 16.03,1068 2.418,1069 7.694,1070 28.68,1071 3.503,1072 18.015,1073 22.467,1074 9.793,1075 35.997,1076 17.176,1077 2.151,1078 6.971,1079 30.638,1080 3.436,1081 19.217,1082 24.008,1083 10.447,1084 38.5,1085 18.316,1086 19173,1087 37072,1088 25.255,1089 42.761,1090 61.871,1091 63.983,1092 63.519,1093 61.211,1094 61.047,1095 80.931,1096 8.428,1097 188.305,1098 56.708,1099 5.77,1100 6.689,1101 6.878,1102 5.53,1103 5.437,1104 7.783,1105 3.551,1106 20.195,1107 5.213,1108 25.165,1109 1.547,1110 1.6,1111 1.588,1112 1.53,1113 1.526,1114 2.023,1115 0.211,1116 4.708,1117 1.418,1118 4.172,1119 4.196,1120 4.794,1121 4.131,1122 8.201,1123 4.066,1124 4.001,1125 3.97,1126 4.169,1127 3.986,1128 7.717,1129 3.928,1130 3.921,1131 3.944,1132 4.088,1133 3.857,1134 7.43,1135 3.853,1136 3.738,1137 3.772,1138 3.859,1139 3.559,1140 6.999,1141 3.574,1142 3.563,1143 3.561,1144 3.656,1145 3.528,1146 6.443,1147 3.424,1148 3.449,1149 3.486,1150 3.412,1151 3.243,1152 5.016,1153 3.259,1154 3.288,1155 3.362,1156 3.173,1157 3.08,1158 4.885,1159 3.084,1160 3.225,1161 3.288,1162 3.142,1163 2.987,1164 4.718,1165 2.993,1166 0.122,1167 0.117,1168 0.183,1169 0.109,1170 0.086,1171 4.885,1172 0.12,1173 4.689,1174 0.05,1175 7.323,1176 0.316,1177 4.358,1178 0.08,1179 3.437,1180 4.783,1181 2.009,1182 12.625,1183 3.213,1184 1.963,1185 1.941,1186 2.066,1187 2.068,1188 1.245,1189 2.066,1190 1.901,1191 1.888,1192 1.963,1193 1.996,1194 1.14,1195 1.997,1196 1.73,1197 1.778,1198 1.887,1199 1.892,1200 1.026,1201 1.896,1202 1.675,1203 1.637,1204 1.629,1205 1.831,1206 0.943,1207 1.868,1208 1.433,1209 1.406,1210 1.605,1211 1.658,1212 0.82,1213 1.65,1214 1.391,1215 1.352,1216 1.561,1217 1.516,1218 0.608,1219 1.529,1220 1.244,1221 1.176,1222 1.465,1223 1.5,1224 0.585,1225 1.527,1226 1.167,1227 1.091,1228 1.417,1229 1.441,1230 0.554,1231 1.461,1232 4.394,1233 5.771,1234 3.045,1235 7.319,1236 5.416,1237 8.945,1238 7.535,1239 10.616,1241 4.09,1242 5.903,1243 14.575,1246 9.818,1247 0.412,1248 5.105,1249 5.245,1253 -1.502,1257 41.039,1258 120.087,1259 255.669,1260 301.51,1261 329.51,1262 331.51,1263 333.51,1264 118.174,1265 8.167,1266 122.55,1267 159.17,1268 22,1269 12.998,1270 4.644,1271 3.858,1272 64.645,1273 171,1274 179,1275 0.181,1276 261.09,1277 450.57,1278 628.821,1279 41124,1280 3.3,1281 26.957,1282 0.729,1283 0.607,1284 27.191,1285 22.469,1286 17.385,1287 0.435,1288 0.342,1289 11.018,1290 15.267,1291 10.443,1292 8.658,1293 18.493,1294 13.662,1295 17.41,1296 0.29,1297 0.206,1298 19.457,1299 12.331,1300 13.504,1301 0.178,1302 0.111,1303 15.423,1304 8.466,1305 10.678,1306 0.109,1307 0.063,1308 12.507,1309 6.128,1310 8.409,1311 0.069,1312 0.036,1313 10.579,1314 4.395,1315 0.284,1316 125.657,1317 0.199,1318 33.51,1319 0.498,1320 200,1321 729.083,1322 314.087,1323 740.957,1324 973.05,1325 680,1326 236,1327 635.111,1328 339.658,1329 697.919,1330 1022.3,1331 649,1332 7.4}
{0 CHEMBL2326632,1 2.004,2 12.206,3 4.324,4 18.7,5 132.122,6 9.686,7 0.568,8 4.119,9 4.201,10 4.04,11 3.734,12 5.293,13 3.696,14 4.643,15 4.768,16 4.469,17 4.127,18 6.03,19 4.07,20 4.825,21 4.964,22 4.434,23 4.181,24 6.095,25 4.132,26 4.908,27 5.077,28 4.454,29 4.18,30 6.218,31 4.132,32 4.927,33 5.106,34 4.497,35 4.193,36 6.258,37 4.156,38 4.952,39 5.129,40 4.406,41 4.238,42 6.262,43 4.175,44 4.935,45 5.105,46 4.449,47 4.243,48 6.196,49 4.178,50 4.928,51 5.083,52 4.383,53 4.209,54 6.367,55 4.125,56 0.215,57 0.89,58 8.878,59 5.295,60 22.33,61 5.072,62 0.647,63 1.403,64 24.112,65 9.576,66 63.407,67 9.05,68 0.755,69 1.664,70 27.049,71 10.872,72 84.734,73 10.085,74 1.005,75 1.736,76 31.385,77 11.314,78 89.983,79 12.045,80 0.989,81 1.803,82 29.38,83 11.232,84 97.016,85 12.075,86 1.147,87 1.907,88 33.897,89 12.387,90 109.708,91 12,92 0.898,93 1.775,94 33.504,95 13.128,96 112.328,97 12.93,98 1.166,99 1.76,100 33.86,101 13.458,102 158.129,103 12.743,104 56,105 54,106 0.326,107 0.668,108 0.794,109 0.878,110 0.885,111 0.891,112 3.561,113 1.028,114 -4.31,115 -4.25,116 -4.01,119 40.7,120 1,124 1,125 2,138 8,139 3,140 2,143 1,148 1,149 2,151 1,159 1,163 7,165 1,166 7,169 4,171 3,172 13,176 8,179 1,181 4,183 4,186 4,187 12,190 1,192 5,194 3,197 2,198 9,203 3,205 8,208 2,209 11,212 1,214 2,217 8,221 9,224 1,226 2,227 10,230 1,231 9,236 3,238 6,241 1,242 7,246 1,249 8,252 2174,253 22.306,254 22.306,255 22.306,256 22.306,257 22.306,258 19.299,259 29.026,260 12.911,261 23.191,262 18.241,263 18.241,264 18.241,265 18.241,266 18.241,267 13.477,268 39.099,269 6.123,270 19.715,271 3.751,272 1.652,273 0.88,274 0.361,275 0.324,276 0.287,277 4.248,280 1,283 1,284 879,285 4.359,287 169.274,288 203.191,291 143.825,295 1.76,296 55.325,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 75.833,308 415,309 4.883,310 4.689,311 7.322,312 4.352,313 3.434,314 4.776,315 1.909,316 12.611,317 3.203,318 4.699,319 3.52,320 6.937,321 4.182,322 3.244,323 4.646,324 0.86,325 11.703,326 2.977,327 4.086,328 3.41,329 5.844,330 3.708,331 2.718,332 3.681,333 0.561,334 8.176,335 2.693,336 3.864,337 2.948,338 5.554,339 3.378,340 2.44,341 3.427,342 0.522,343 7.437,344 2.307,345 3.778,346 2.898,347 5.421,348 3.279,349 2.415,350 3.238,352 6.962,353 2.188,354 3.623,355 2.78,356 5.205,357 3.206,358 2.252,359 3.034,361 6.454,362 2.103,363 3.544,364 2.635,365 5.02,366 3.136,367 2.183,368 2.736,370 5.978,371 1.941,372 3.3,373 2.373,374 4.815,375 2.941,376 1.95,377 2.535,379 5.105,380 1.921,381 3.038,382 2.078,383 4.612,384 2.618,385 1.718,386 2.206,388 4.999,389 1.527,390 2.784,391 1.627,392 4.511,393 2.354,394 1.386,395 1.883,397 4.167,398 1.337,399 2.771,400 1.526,401 4.415,402 2.182,403 1.317,404 1.848,406 3.813,407 1.174,408 2.644,409 1.304,410 3.502,411 2.173,412 1.184,413 1.707,415 2.637,416 1.047,417 2.18,418 1.057,419 3.311,420 1.561,421 0.687,422 1.019,424 1.672,425 0.579,426 1.778,427 0.962,428 3.245,429 1.517,430 0.548,431 0.632,433 1.22,434 0.527,435 1.646,436 0.807,437 3.06,438 1.344,439 0.469,440 0.532,442 0.809,443 0.406,444 16.6,445 0.488,446 1.101,447 0.032,448 45.25,449 1.331,450 23.5,451 0.691,452 21.75,453 0.64,454 30.619,455 0.901,456 36.8,457 0.681,458 39.127,459 1.151,460 8.936,461 0.263,462 7.221,463 0.212,464 0.181,465 0.05,466 0.325,470 1,472 0.588,473 1.094,474 0.674,475 1.033,476 0.601,477 0.847,478 0.722,479 0.971,480 0.601,481 0.756,482 0.55,483 0.773,484 1.118,485 1.202,486 1.002,487 1.118,488 1.109,489 1.049,490 0.745,491 1.042,492 0.706,493 0.912,494 0.808,495 0.971,496 0.788,497 1.028,498 0.639,499 0.849,500 0.771,501 0.873,502 1.126,503 0.917,504 0.978,505 0.878,506 1.049,507 0.909,508 1.021,509 0.953,510 0.83,511 0.944,512 1.113,513 0.908,514 1.14,515 1.131,516 1.081,517 1.089,518 1.108,519 1.101,520 9.5,521 0.306,522 3.778,523 3.167,524 2.442,525 1.622,526 1.056,527 0.701,528 0.603,529 0.387,530 15275,531 57450,532 2.018,533 37,535 15,538 2,539 3,542 1.766,543 1.846,544 3.544,545 0.293,550 108.218,551 2.004,552 4.103,553 4.875,554 5.394,555 5.431,556 5.468,557 3.039,558 4.793,559 5.053,560 3.721,561 2087.49,562 8.901,563 31312,568 310.764,569 1.667,570 4.989,571 0.257,572 0.009,573 0.07,574 0.06,575 0.044,576 0.029,577 0.02,578 0.013,579 0.012,580 0.009,581 0.523,582 0.17,583 0.88,584 1.159,585 180.498,586 0.021,587 -0.047,588 0.106,589 -0.039,590 -0.099,591 0.025,592 0.089,593 0.026,594 0.22,595 0.193,596 0.156,597 0.123,598 -0.181,599 -0.16,600 -0.106,601 -0.144,602 -0.168,603 -0.14,604 0.141,605 -0.086,606 0.077,607 -0.043,608 0.031,609 -0.052,610 0.103,611 -0.052,612 0.162,613 0.007,614 0.077,615 0.062,616 -0.097,617 0.199,618 -0.105,619 0.075,620 -0.064,621 0.026,622 -0.093,624 0.049,625 0.03,626 -0.109,627 0.072,628 -0.029,629 -0.069,630 -0.127,631 -0.065,632 0.04,633 -0.128,634 4.899,635 6.345,636 0.588,637 36.644,638 1.031,639 1.124,640 3.083,641 9.506,642 0.718,643 3.638,644 4.007,645 4.248,646 4.564,647 4.796,648 4.934,649 5.088,650 5.242,651 5.38,652 5.46,653 7.167,654 0.69,655 523.05,656 3.638,657 5.209,658 6.061,659 6.969,660 7.849,661 8.762,662 9.656,663 10.574,664 11.477,665 12.397,666 7.4,671 1,673 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 1,702 2,703 54,705 24,706 2,707 37,709 57,710 22,711 17,712 6,713 6,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,745 1,747 20,748 8,749 2,750 12,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,803 1,805 34,808 1,810 2,811 2,812 1,820 1,824 2,825 7.4,828 3,830 1,832 18.417,833 10.352,834 7.319,835 2.888,836 3.703,837 1.463,838 1.003,839 7.356,840 11.692,841 3.942,842 4.625,843 5.178,844 5.819,845 6.324,846 6.702,847 7.096,848 7.541,849 7.901,850 8.233,851 1,852 53,853 12.927,854 5.935,855 8.118,856 23.298,857 19.211,859 2.618,860 89.028,864 211.88,865 170.973,866 52.855,867 39.149,868 80.458,869 14.96,870 37.085,871 133.888,872 331.486,873 67.815,874 19.708,875 22.222,876 81.617,877 107.231,878 37.758,879 58.581,880 243.158,882 211.88,883 186.744,884 95.418,885 76.234,887 226.84,888 80.458,891 34.497,892 119.178,893 38.875,894 70.426,895 226.84,896 133.313,897 210.122,899 5.807,900 211.88,901 69.648,902 97.295,903 34.416,904 151.23,905 211.88,906 148.273,907 210.122,909 0.591,910 0.33,911 0.18,912 0.106,913 26,914 13,915 0.14,916 8,917 1,918 1.1,919 4.285,920 326.542,921 0.1,922 20,923 170.974,924 1,927 1,928 24.764,929 10.1,930 5.67,931 0.676,932 146.497,933 12.774,934 4.437,937 0.909,938 1.651,939 1.498,940 34.416,941 570.275,942 50.5,945 -3.982,946 37.03,950 -0.144,952 55.658,953 60.691,954 0.348,955 0.713,956 0.847,957 0.937,958 0.944,959 0.95,960 5.2,961 1.95,962 6.098,963 5.978,964 4.691,965 5.313,966 2.263,967 6.967,968 4.556,969 6.466,970 1.718,971 7.698,972 5.105,973 4.511,974 5.453,975 1.593,976 8.134,977 4.288,978 7.829,979 1.386,980 9.404,981 4.999,982 6.378,983 7.674,984 2.986,985 11.203,986 6.121,987 9.232,988 1.317,989 11.178,990 4.167,991 6.976,992 8.612,993 3.032,994 13.216,995 6.62,996 10.668,997 1.184,998 12.997,999 3.813,1000 8.392,1001 10.384,1002 4.061,1003 15.888,1004 7.998,1005 12.13,1006 0.687,1007 14.851,1008 2.637,1009 9.335,1010 11.671,1011 4.414,1012 18.223,1013 8.843,1014 13.612,1015 0.548,1016 16.731,1017 1.672,1018 10.6,1019 13.291,1020 5.262,1021 20.782,1022 10.058,1023 3.434,1024 0.469,1025 18.632,1026 1.22,1027 11.696,1028 14.729,1029 5.757,1030 23.232,1031 11.062,1032 3.244,1033 12.611,1034 20.549,1035 0.809,1036 12.914,1037 16.299,1038 6.511,1039 25.758,1040 12.219,1041 2.718,1042 11.703,1043 22.479,1044 4.776,1045 14.076,1046 17.802,1047 7.078,1048 28.249,1049 13.296,1050 2.44,1051 8.176,1052 24.419,1053 4.646,1054 15.284,1055 19.356,1056 7.782,1057 30.766,1058 14.436,1059 2.415,1060 7.437,1061 26.367,1062 3.681,1063 16.475,1064 20.886,1065 8.386,1066 33.272,1067 15.546,1068 2.252,1069 6.962,1070 28.321,1071 3.427,1072 17.684,1073 22.437,1074 9.064,1075 35.788,1076 16.684,1077 2.183,1078 6.454,1079 30.281,1080 3.238,1081 18.889,1082 23.979,1083 9.687,1084 38.301,1085 17.811,1086 14903,1087 29183,1088 23.868,1089 38.784,1090 56.289,1091 58.064,1092 58.003,1093 55.982,1094 55.889,1095 75.806,1096 7.704,1097 167.488,1098 51.861,1099 5.733,1100 6.689,1101 6.878,1102 5.524,1103 5.434,1104 7.776,1105 3.31,1106 20.178,1107 5.203,1108 20.842,1109 1.521,1110 1.569,1111 1.568,1112 1.513,1113 1.511,1114 2.049,1115 0.208,1116 4.527,1117 1.402,1118 4.172,1119 4.195,1120 4.793,1121 4.131,1122 8.201,1123 4.066,1124 4.001,1125 3.969,1126 4.169,1127 3.986,1128 7.717,1129 3.928,1130 3.916,1131 3.94,1132 4.087,1133 3.856,1134 7.43,1135 3.852,1136 3.596,1137 3.648,1138 3.854,1139 3.528,1140 6.999,1141 3.425,1142 3.562,1143 3.557,1144 3.503,1145 3.362,1146 5.02,1147 3.384,1148 3.426,1149 3.462,1150 3.386,1151 3.215,1152 4.885,1153 3.233,1154 3.241,1155 3.301,1156 3.17,1157 3.009,1158 4.721,1159 3.012,1160 3.152,1161 3.22,1162 3.119,1163 2.974,1164 4.59,1165 2.976,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.883,1172 0.129,1173 4.689,1174 0.052,1175 7.322,1176 0.341,1177 4.352,1178 0.087,1179 3.434,1180 4.776,1181 1.909,1182 12.611,1183 3.203,1184 1.963,1185 1.94,1186 2.065,1187 2.067,1188 1.244,1189 2.065,1190 1.901,1191 1.888,1192 1.961,1193 1.993,1194 1.139,1195 1.996,1196 1.729,1197 1.777,1198 1.747,1199 1.847,1200 0.944,1201 1.883,1202 1.518,1203 1.461,1204 1.618,1205 1.766,1206 0.848,1207 1.763,1208 1.421,1209 1.405,1210 1.596,1211 1.635,1212 0.703,1213 1.625,1214 1.372,1215 1.325,1216 1.543,1217 1.501,1218 0.606,1219 1.527,1220 1.183,1221 1.113,1222 1.43,1223 1.462,1224 0.577,1225 1.493,1226 1.141,1227 1.088,1228 1.305,1229 1.359,1230 0.539,1231 1.392,1232 4.317,1233 5.673,1234 3.045,1235 7.201,1236 5.416,1237 8.816,1238 7.535,1239 10.483,1241 2.808,1242 5.898,1243 14.345,1247 0.587,1248 5.217,1249 5.323,1257 37.271,1258 108.218,1259 221.545,1260 263.254,1261 291.254,1262 293.254,1263 295.254,1264 91.851,1265 7.989,1266 102.32,1267 138.94,1268 22,1269 12.909,1270 4.644,1271 3.858,1272 56.57,1273 143,1274 168,1275 0.192,1276 237.909,1277 407.18,1278 572.259,1279 32056,1280 3.7,1281 24.457,1282 0.719,1283 0.604,1284 24.691,1285 20.522,1286 16.157,1287 0.437,1288 0.343,1289 10.054,1290 14.075,1291 9.552,1292 7.905,1293 17.281,1294 12.683,1295 15.655,1296 0.29,1297 0.204,1298 17.584,1299 11.026,1300 11.966,1301 0.173,1302 0.116,1303 14.089,1304 7.973,1305 10.268,1306 0.108,1307 0.062,1308 12.157,1309 5.937,1310 8.435,1311 0.07,1312 0.036,1313 10.447,1314 4.366,1315 0.297,1316 117.788,1317 0.205,1318 31.114,1319 0.538,1320 182,1321 678.933,1322 293.318,1323 693.371,1324 912.13,1325 638,1326 214,1327 591.08,1328 312.895,1329 652.695,1330 952.98,1331 608,1332 7.4}
{0 CHEMBL2326633,1 1.969,2 13.189,3 4.448,4 19.786,5 143.03,6 9.297,7 0.525,8 4.232,9 4.318,10 4.103,11 3.821,12 5.403,13 3.784,14 4.764,15 4.894,16 4.55,17 4.224,18 6.131,19 4.174,20 4.993,21 5.13,22 4.542,23 4.298,24 6.349,25 4.252,26 5.112,27 5.31,28 4.509,29 4.28,30 6.394,31 4.227,32 5.025,33 5.206,34 4.544,35 4.279,36 6.332,37 4.235,38 5.085,39 5.282,40 4.486,41 4.339,42 6.352,43 4.273,44 5.038,45 5.192,46 4.537,47 4.364,48 6.319,49 4.301,50 5.107,51 5.285,52 4.475,53 4.354,54 6.477,55 4.261,56 0.251,57 0.982,58 11.282,59 6.116,60 28.847,61 6.116,62 0.692,63 1.552,64 28.239,65 10.942,66 75.095,67 10.898,68 0.965,69 1.879,70 32.459,71 12.735,72 115.387,73 12.655,74 1.37,75 1.984,76 43.516,77 13.407,78 144.804,79 14.888,80 1.056,81 1.942,82 33.575,83 12.389,84 107.788,85 13.914,86 1.251,87 2.08,88 42.409,89 14.316,90 125.653,91 15.351,92 0.926,93 1.953,94 34.96,95 14.256,96 112.863,97 14.378,98 1.293,99 2.019,100 42.906,101 16.065,102 175.847,103 16.786,104 89,105 60,106 0.314,107 0.668,108 0.788,109 0.861,110 0.866,111 0.871,112 3.642,113 1.024,114 -3.99,115 -3.94,116 -3.74,119 39.3,120 2,124 1,125 2,129 1,138 8,139 3,140 2,143 1,148 1,149 2,151 1,159 1,163 7,165 1,166 6,169 4,171 4,172 14,176 10,179 2,180 1,181 6,183 4,186 4,187 12,190 1,192 5,194 2,197 2,198 9,203 4,205 8,208 2,209 11,212 1,214 4,217 10,221 9,224 1,226 4,227 13,230 1,231 8,236 4,238 8,241 1,242 8,245 1,246 1,249 8,252 2828,253 23.778,254 23.778,255 23.778,256 23.778,257 23.778,258 20.862,259 31.775,260 13.467,261 24.726,262 19.682,263 19.682,264 19.682,265 19.682,266 19.682,267 14.98,268 43.067,269 6.343,270 21.254,271 3.962,272 1.739,273 0.988,274 0.529,275 0.496,276 0.463,277 4.325,280 1,283 1,284 1027,285 5,287 188.261,288 228.99,291 161.225,295 1.944,296 64.749,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.67,305 1,306 0.71,307 82.833,308 488,309 4.883,310 4.689,311 7.322,312 4.352,313 3.434,314 4.776,315 2.009,316 12.611,317 3.203,318 4.699,319 4.025,320 7.053,321 4.256,322 3.285,323 4.646,324 0.86,325 11.703,326 3.176,327 4.376,328 3.41,329 6.937,330 4.182,331 3.244,332 3.684,333 0.594,334 11.338,335 2.977,336 4.08,337 2.955,338 5.844,339 3.701,340 2.711,341 3.501,342 0.522,343 8.175,344 2.686,345 3.864,346 2.898,347 5.551,348 3.363,349 2.438,350 3.427,351 0.229,352 7.431,353 2.279,354 3.775,355 2.788,356 5.421,357 3.271,358 2.405,359 3.237,361 6.962,362 2.118,363 3.618,364 2.687,365 5.205,366 3.15,367 2.233,368 3.034,370 6.454,371 1.97,372 3.34,373 2.603,374 5.008,375 3.002,376 2.032,377 2.591,379 5.938,380 1.936,381 3.039,382 2.367,383 4.814,384 2.624,385 1.725,386 2.206,388 5.098,389 1.544,390 2.882,391 2.078,392 4.534,393 2.553,394 1.571,395 1.915,397 4.256,398 1.514,399 2.782,400 1.627,401 4.415,402 2.342,403 1.371,404 1.858,406 4.053,407 1.325,408 2.762,409 1.526,410 4.366,411 2.18,412 1.317,413 1.813,415 3.813,416 1.168,417 2.641,418 1.304,419 3.505,420 2.169,421 1.175,422 1.698,424 2.626,425 1.047,426 2.18,427 1.051,428 3.311,429 1.561,430 0.687,431 1.019,433 1.672,434 0.579,435 1.747,436 0.962,437 3.246,438 1.427,439 0.47,440 0.536,442 0.996,443 0.425,444 17.933,445 0.485,446 1.39,447 0.038,448 47,449 1.27,450 23.5,451 0.635,452 23.5,453 0.635,454 36.82,455 0.995,456 40.867,457 0.67,458 42.93,459 1.16,460 9.09,461 0.246,462 8.279,463 0.224,464 0.214,465 0.074,466 0.301,470 1,472 0.648,473 1.113,474 0.692,475 1.04,476 0.679,477 0.871,478 0.725,479 0.989,480 0.584,481 0.777,482 0.58,483 0.767,484 1.084,485 1.278,486 0.989,487 1.171,488 1.075,489 1.131,490 0.927,491 0.903,492 0.734,493 0.772,494 1.022,495 0.859,496 0.797,497 1.064,498 0.672,499 0.885,500 0.784,501 0.92,502 1.004,503 0.86,504 0.879,505 0.804,506 0.928,507 0.797,508 1.032,509 1.039,510 0.876,511 1.026,512 1.119,513 1.014,514 1.005,515 1.083,516 0.989,517 1.037,518 0.979,519 1.049,520 11.5,521 0.366,522 4.889,523 3.417,524 2.522,525 1.845,526 1.178,527 0.849,528 0.689,529 0.447,530 19562,531 71899,532 1.979,533 39.3,535 15,538 3,540 6,542 1.785,543 1.79,544 3.647,545 0.889,550 120.087,551 1.969,552 4.191,553 4.943,554 5.402,555 5.435,556 5.467,557 3.105,558 4.811,559 5.177,560 3.866,561 2575.06,562 9.136,563 41650.6,568 361.775,569 1.772,570 5.093,571 0.287,572 0.009,573 0.081,574 0.058,575 0.043,576 0.031,577 0.02,578 0.014,579 0.013,580 0.01,581 0.567,582 0.33,583 0.88,584 1.287,585 202.93,586 -0.007,587 -0.031,588 0.1,589 -0.01,590 -0.127,591 0.039,592 0.084,593 0.029,594 0.241,595 0.192,596 0.141,597 0.154,598 -0.104,599 -0.241,600 -0.11,601 -0.199,602 -0.09,603 -0.216,604 0.029,605 0.033,606 0.081,607 0.089,608 -0.053,609 0.07,610 0.077,611 -0.068,612 0.13,613 -0.017,614 0.053,615 0.017,616 -0.042,617 0.232,618 0.012,619 0.155,620 -0.009,621 0.172,622 -0.119,623 -0.045,624 -0.032,625 -0.051,626 -0.137,627 -0.058,628 0.005,629 -0.05,630 -0.05,631 -0.026,632 0.053,633 -0.049,634 4.931,635 6.421,636 0.541,637 43.386,638 1.029,639 1.127,640 2.759,641 7.615,642 0.701,643 3.714,644 4.111,645 4.331,646 4.595,647 4.82,648 4.977,649 5.124,650 5.288,651 5.421,652 5.521,653 7.873,654 0.673,655 567.11,656 3.714,657 5.303,658 6.155,659 7.066,660 7.943,661 8.856,662 9.745,663 10.66,664 11.557,665 12.475,666 6.6,671 1,673 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 1,702 2,703 61,705 24,706 2,707 40,709 64,710 24,711 17,712 6,713 6,717 4,718 5,719 1,721 2,729 18,730 6,731 1,733 3,736 1,737 3,741 1,745 1,747 24,748 9,749 3,750 13,751 3,755 4,760 0.75,761 5,764 1,769 1,775 2,776 2,779 1,783 1,794 1,796 3,799 2,801 3,802 1,803 1,805 37,808 1,809 1,810 2,811 2,812 1,816 1,820 1,824 2,825 8.2,826 1,828 3,830 1,832 20.667,833 11.802,834 7.819,835 3.25,836 3.726,837 1.456,838 0.957,839 8.045,840 11.893,841 3.998,842 4.682,843 5.227,844 5.828,845 6.329,846 6.713,847 7.108,848 7.556,849 7.915,850 8.254,851 0.889,852 59,853 14.113,854 6.55,855 8.156,856 25.307,857 20.986,859 2.656,860 98.278,864 247.193,865 179.799,866 52.855,867 39.149,868 123.141,869 14.96,870 37.085,871 142.714,872 409.483,873 67.815,874 28.533,875 22.222,876 124.301,877 107.231,878 37.758,879 58.581,880 278.471,882 247.193,883 195.569,884 138.101,885 76.234,887 191.527,888 151.084,889 42.683,891 43.323,892 119.178,893 38.875,894 70.426,895 262.153,896 175.996,897 218.947,899 5.807,900 247.193,901 69.648,902 106.12,903 34.416,904 193.913,905 247.193,906 190.957,907 218.947,909 0.603,910 0.338,911 0.168,912 0.095,913 29,914 15,915 0.141,916 9,917 1,918 1.1,919 4.472,920 364.123,921 0.1,922 20,923 188.75,924 1,927 1,928 27.64,929 10.769,930 6.37,931 0.614,932 189.18,933 12.507,934 4.437,937 0.894,938 1.369,939 1.467,940 77.099,941 657.097,942 53.5,945 -4.015,946 37.906,950 -0.512,952 62.753,953 68.731,954 0.332,955 0.707,956 0.833,957 0.911,958 0.916,959 0.922,960 5.279,961 2.032,962 6.225,963 6.454,964 4.796,965 5.371,966 2.378,967 7.119,968 4.664,969 6.559,970 1.725,971 7.851,972 5.938,973 4.745,974 5.551,975 1.593,976 8.409,977 4.535,978 7.934,979 1.571,980 9.589,981 5.098,982 6.547,983 7.728,984 3.217,985 11.424,986 6.304,987 9.347,988 1.371,989 11.393,990 4.256,991 7.245,992 8.681,993 3.201,994 13.489,995 6.926,996 10.791,997 1.317,998 13.239,999 4.053,1000 8.629,1001 10.43,1002 4.402,1003 16.132,1004 8.274,1005 12.258,1006 1.175,1007 15.116,1008 3.813,1009 9.628,1010 11.717,1011 4.719,1012 18.475,1013 9.202,1014 13.743,1015 0.687,1016 17.014,1017 2.626,1018 10.882,1019 13.324,1020 5.702,1021 21.013,1022 10.41,1023 3.434,1024 0.47,1025 18.929,1026 1.672,1027 12.003,1028 14.758,1029 6.184,1030 23.455,1031 11.463,1032 3.285,1033 12.611,1034 20.856,1035 0.996,1036 13.217,1037 16.32,1038 7.047,1039 25.964,1040 12.625,1041 3.244,1042 11.703,1043 22.793,1044 4.776,1045 14.387,1046 17.819,1047 7.619,1048 28.443,1049 13.731,1050 2.711,1051 11.338,1052 24.737,1053 4.646,1054 15.592,1055 19.369,1056 8.414,1057 30.945,1058 14.879,1059 2.438,1060 8.175,1061 26.687,1062 3.684,1063 16.783,1064 20.896,1065 9.038,1066 33.439,1067 16.007,1068 2.405,1069 7.431,1070 28.641,1071 3.501,1072 17.987,1073 22.444,1074 9.793,1075 35.942,1076 17.153,1077 2.233,1078 6.962,1079 30.599,1080 3.427,1081 19.188,1082 23.985,1083 10.447,1084 38.443,1085 18.292,1086 19160,1087 37054,1088 25.255,1089 42.761,1090 61.825,1091 63.864,1092 63.367,1093 61.205,1094 61.052,1095 80.923,1096 8.428,1097 187.869,1098 56.704,1099 5.769,1100 6.689,1101 6.877,1102 5.524,1103 5.434,1104 7.776,1105 3.551,1106 20.178,1107 5.203,1108 25.174,1109 1.546,1110 1.597,1111 1.584,1112 1.53,1113 1.526,1114 2.023,1115 0.211,1116 4.697,1117 1.418,1118 4.172,1119 4.196,1120 4.794,1121 4.131,1122 8.201,1123 4.066,1124 4.001,1125 3.97,1126 4.169,1127 3.986,1128 7.717,1129 3.928,1130 3.921,1131 3.944,1132 4.088,1133 3.857,1134 7.43,1135 3.853,1136 3.738,1137 3.772,1138 3.858,1139 3.559,1140 6.999,1141 3.574,1142 3.563,1143 3.561,1144 3.655,1145 3.528,1146 6.443,1147 3.424,1148 3.444,1149 3.484,1150 3.399,1151 3.243,1152 5.02,1153 3.257,1154 3.287,1155 3.361,1156 3.176,1157 3.08,1158 4.885,1159 3.084,1160 3.238,1161 3.296,1162 3.144,1163 2.986,1164 4.721,1165 3.001,1166 0.122,1167 0.117,1168 0.183,1169 0.109,1170 0.086,1171 4.883,1172 0.119,1173 4.689,1174 0.05,1175 7.322,1176 0.315,1177 4.352,1178 0.08,1179 3.434,1180 4.776,1181 2.009,1182 12.611,1183 3.203,1184 1.963,1185 1.941,1186 2.065,1187 2.068,1188 1.245,1189 2.066,1190 1.902,1191 1.888,1192 1.962,1193 1.996,1194 1.14,1195 1.997,1196 1.729,1197 1.778,1198 1.887,1199 1.892,1200 1.026,1201 1.896,1202 1.675,1203 1.637,1204 1.631,1205 1.831,1206 0.942,1207 1.868,1208 1.434,1209 1.406,1210 1.606,1211 1.658,1212 0.821,1213 1.652,1214 1.392,1215 1.353,1216 1.558,1217 1.516,1218 0.607,1219 1.527,1220 1.242,1221 1.175,1222 1.466,1223 1.5,1224 0.586,1225 1.527,1226 1.167,1227 1.091,1228 1.417,1229 1.441,1230 0.553,1231 1.461,1232 4.394,1233 5.771,1234 3.045,1235 7.315,1236 5.416,1237 8.937,1238 7.535,1239 10.604,1241 4.149,1242 5.908,1243 14.421,1246 9.817,1247 0.357,1248 5.135,1249 5.33,1253 -1.507,1257 41.039,1258 120.087,1259 255.669,1260 301.51,1261 329.51,1262 331.51,1263 333.51,1264 117.794,1265 8.167,1266 122.55,1267 159.17,1268 22,1269 12.989,1270 4.644,1271 3.858,1272 64.627,1273 170,1274 179,1275 0.181,1276 261.09,1277 450.57,1278 628.821,1279 41122,1280 3.3,1281 26.957,1282 0.729,1283 0.607,1284 27.191,1285 22.469,1286 17.368,1287 0.434,1288 0.341,1289 11.012,1290 15.238,1291 10.434,1292 8.649,1293 18.493,1294 13.656,1295 17.529,1296 0.292,1297 0.206,1298 19.457,1299 12.358,1300 13.3,1301 0.177,1302 0.113,1303 15.423,1304 8.44,1305 10.618,1306 0.108,1307 0.062,1308 12.507,1309 6.109,1310 8.567,1311 0.07,1312 0.036,1313 10.579,1314 4.423,1315 0.284,1316 125.556,1317 0.199,1318 33.506,1319 0.499,1320 200,1321 729.083,1322 314.087,1323 741.092,1324 972.41,1325 680,1326 235,1327 634.111,1328 337.551,1329 697.025,1330 1018.5,1331 648,1332 7.8}
{0 CHEMBL2326634,1 2.004,2 12.176,3 4.324,4 18.7,5 132.122,6 9.686,7 0.568,8 4.119,9 4.201,10 4.04,11 3.734,12 5.293,13 3.696,14 4.643,15 4.768,16 4.469,17 4.127,18 6.023,19 4.07,20 4.826,21 4.964,22 4.453,23 4.181,24 6.115,25 4.135,26 4.914,27 5.081,28 4.467,29 4.178,30 6.24,31 4.142,32 4.931,33 5.11,34 4.489,35 4.194,36 6.278,37 4.151,38 4.946,39 5.122,40 4.463,41 4.237,42 6.233,43 4.183,44 4.958,45 5.12,46 4.472,47 4.241,48 6.436,49 4.191,50 4.918,51 5.077,52 4.381,53 4.209,54 6.196,55 4.122,56 0.215,57 0.89,58 8.878,59 5.295,60 22.441,61 5.072,62 0.647,63 1.403,64 24.112,65 9.576,66 64.616,67 9.05,68 0.768,69 1.693,70 27.03,71 10.857,72 78.575,73 10.223,74 0.956,75 1.819,76 31.416,77 11.354,78 97.614,79 11.654,80 1.127,81 1.805,82 29.464,83 11.255,84 108.076,85 11.976,86 1.021,87 1.89,88 33.844,89 12.391,90 95.641,91 12.252,92 1.211,93 1.919,94 33.624,95 13.205,96 176.262,97 12.328,98 0.953,99 1.742,100 33.865,101 13.462,102 104.793,103 12.735,104 56,105 54,106 0.326,107 0.668,108 0.794,109 0.878,110 0.885,111 0.891,112 3.561,113 1.029,114 -4.31,115 -4.25,116 -4.01,119 40.7,120 1,124 1,125 2,138 8,139 3,140 2,143 1,148 1,149 2,151 1,159 1,163 8,165 1,166 6,169 4,171 3,172 11,176 9,179 1,181 4,183 5,186 4,187 12,190 1,192 4,194 2,197 2,198 9,203 4,205 7,208 2,209 9,212 1,214 2,217 8,221 11,224 1,226 2,227 9,230 1,231 9,236 2,238 8,241 1,242 7,246 1,247 1,249 8,252 2162,253 22.358,254 22.358,255 22.358,256 22.358,257 22.358,258 19.331,259 29.026,260 12.91,261 23.23,262 18.215,263 18.215,264 18.215,265 18.215,266 18.215,267 13.451,268 39.509,269 6.085,270 19.678,271 3.751,272 1.652,273 0.88,274 0.361,275 0.324,276 0.287,277 4.248,280 1,283 1,284 877,285 4.359,287 167.886,288 202.584,291 143.359,295 1.785,296 56.529,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 1,306 0.68,307 75.833,308 414,309 4.888,310 4.689,311 7.324,312 4.366,313 3.442,314 4.804,315 1.909,316 12.651,317 3.227,318 4.735,319 3.52,320 7.046,321 4.208,322 3.278,323 4.67,324 0.86,325 12.048,326 2.985,327 4.084,328 3.476,329 5.959,330 3.706,331 2.715,332 3.68,333 0.561,334 8.312,335 2.692,336 3.866,337 2.931,338 5.615,339 3.37,340 2.445,341 3.429,342 0.522,343 7.663,344 2.3,345 3.763,346 2.898,347 5.404,348 3.277,349 2.402,350 3.214,352 6.891,353 2.187,354 3.622,355 2.791,356 5.222,357 3.215,358 2.256,359 3.033,361 6.462,362 2.102,363 3.546,364 2.609,365 5.061,366 3.13,367 2.185,368 2.739,370 6.019,371 1.964,372 3.316,373 2.386,374 4.767,375 2.961,376 1.975,377 2.547,379 5.07,380 1.911,381 2.931,382 1.96,383 4.585,384 2.54,385 1.619,386 2.051,388 4.763,389 1.477,390 2.786,391 1.623,392 4.489,393 2.27,394 1.35,395 1.877,397 3.936,398 1.241,399 2.71,400 1.383,401 4.301,402 2.181,403 1.236,404 1.788,406 3.572,407 1.175,408 2.652,409 1.299,410 3.501,411 2.149,412 1.182,413 1.722,415 2.639,416 1.04,417 2.18,418 1.127,419 3.293,420 1.561,421 0.687,422 1.019,424 1.671,425 0.579,426 1.783,427 1.056,428 3.209,429 1.517,430 0.612,431 0.691,433 1.22,434 0.527,435 1.778,436 0.808,437 3.052,438 1.472,439 0.547,440 0.632,442 1.042,443 0.519,444 16.6,445 0.488,446 1.084,447 0.032,448 45.25,449 1.331,450 23.5,451 0.691,452 21.75,453 0.64,454 30.737,455 0.904,456 36.8,457 0.681,458 39.26,459 1.155,460 8.951,461 0.263,462 7.223,463 0.212,464 0.181,465 0.05,466 0.325,470 1,472 0.588,473 1.094,474 0.674,475 1.033,476 0.6,477 0.847,478 0.722,479 0.971,480 0.601,481 0.756,482 0.561,483 0.773,484 1.057,485 1.187,486 0.973,487 1.119,488 1.077,489 1.036,490 0.946,491 1.165,492 0.729,493 0.917,494 0.96,495 0.955,496 0.784,497 0.989,498 0.672,499 0.844,500 0.834,501 0.903,502 0.99,503 0.986,504 0.861,505 0.887,506 0.902,507 0.854,508 1.23,509 1.099,510 0.919,511 0.942,512 1.275,513 0.919,514 1.172,515 1.124,516 1.042,517 1.093,518 1.188,519 1.091,520 9,521 0.303,522 4,523 3.194,524 2.407,525 1.654,526 1.097,527 0.7,528 0.571,529 0.37,530 15171,531 56682,532 2.018,533 37,535 15,538 2,539 3,542 1.766,543 1.846,544 3.538,545 0.293,550 108.218,551 2.004,552 4.103,553 4.875,554 5.394,555 5.431,556 5.468,557 3.039,558 4.793,559 5.053,560 3.713,561 2083.16,562 8.901,563 31108.3,568 310.764,569 1.667,570 4.989,571 0.243,572 0.009,573 0.074,574 0.059,575 0.043,576 0.03,577 0.02,578 0.012,579 0.012,580 0.009,581 0.512,582 0.17,583 0.88,584 1.159,585 180.274,586 0.021,587 -0.047,588 0.106,589 -0.039,590 -0.098,591 0.025,592 0.089,593 0.026,594 0.22,595 0.193,596 0.145,597 0.123,598 -0.118,599 -0.145,600 -0.076,601 -0.145,602 -0.134,603 -0.126,604 0.024,605 -0.127,606 0.055,607 -0.045,608 -0.018,609 -0.047,610 0.149,611 0.029,612 0.13,613 0.013,614 0.064,615 0.026,616 -0.044,617 0.048,618 0.012,619 0.064,620 -0.014,621 0.093,622 -0.052,623 0.093,624 -0.038,625 0.04,626 0.028,627 0.027,628 -0.148,629 -0.144,630 -0.088,631 -0.073,632 -0.144,633 -0.106,634 4.93,635 6.971,636 0.588,637 35.834,638 1.031,639 1.124,640 3.083,641 9.506,642 0.718,643 3.638,644 4.007,645 4.263,646 4.575,647 4.804,648 4.942,649 5.088,650 5.242,651 5.38,652 5.46,653 7.122,654 0.69,655 523.05,656 3.638,657 5.209,658 6.066,659 6.974,660 7.859,661 8.774,662 9.673,663 10.592,664 11.499,665 12.422,666 7.4,671 1,673 1,674 1,676 1,680 2,681 8,682 1,685 1,686 7,687 1,688 21,701 1,702 2,703 54,705 24,706 2,707 37,709 57,710 22,711 17,712 6,713 6,717 4,718 5,719 1,721 1,729 18,730 4,733 3,736 1,737 3,741 1,745 1,747 20,748 8,749 2,750 12,751 3,755 4,760 0.75,761 4,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 2,802 1,803 1,805 34,808 1,810 2,811 2,812 1,820 1,824 2,825 7.4,828 3,830 1,832 18.417,833 10.352,834 7.347,835 2.895,836 3.708,837 1.464,838 1.003,839 7.356,840 11.697,841 3.942,842 4.625,843 5.19,844 5.829,845 6.327,846 6.697,847 7.093,848 7.536,849 7.903,850 8.231,851 1,852 54,853 12.952,854 5.972,855 8.118,856 23.298,857 19.215,859 2.618,860 89.028,864 211.88,865 170.973,866 52.855,867 39.149,868 80.458,869 14.96,870 37.085,871 133.888,872 331.486,873 67.815,874 19.708,875 22.222,876 81.617,877 107.231,878 37.758,879 58.581,880 243.158,882 211.88,883 186.744,884 95.418,885 76.234,887 226.84,888 80.458,891 34.497,892 119.178,893 38.875,894 70.426,895 226.84,896 133.313,897 210.122,899 5.807,900 211.88,901 69.648,902 97.295,903 34.416,904 151.23,905 211.88,906 148.273,907 210.122,909 0.591,910 0.335,911 0.182,912 0.105,913 26,914 13,915 0.14,916 8,917 1,918 1.1,919 4.269,920 327.846,921 0.1,922 20,923 170.974,924 1,927 1,928 24.764,929 10.1,930 5.503,931 0.289,932 146.497,933 12.884,934 4.384,937 0.895,938 1.586,939 1.379,940 34.416,941 570.275,942 50.5,945 -4.013,946 37.026,950 -0.151,952 55.658,953 60.691,954 0.348,955 0.713,956 0.847,957 0.937,958 0.944,959 0.95,960 5.2,961 1.975,962 6.103,963 6.019,964 4.691,965 5.313,966 2.263,967 6.98,968 4.556,969 6.466,970 1.619,971 7.708,972 5.07,973 4.511,974 5.453,975 1.593,976 8.172,977 4.288,978 7.831,979 1.35,980 9.423,981 4.763,982 6.385,983 7.68,984 2.986,985 11.25,986 6.126,987 9.236,988 1.236,989 11.205,990 3.936,991 6.995,992 8.631,993 3.032,994 13.287,995 6.637,996 10.677,997 1.182,998 13.034,999 3.572,1000 8.412,1001 10.404,1002 4.061,1003 15.967,1004 8.016,1005 12.143,1006 0.687,1007 14.896,1008 2.639,1009 9.367,1010 11.703,1011 4.414,1012 18.318,1013 8.873,1014 13.63,1015 0.612,1016 16.784,1017 1.671,1018 10.634,1019 13.326,1020 5.262,1021 20.885,1022 10.091,1023 3.442,1024 0.547,1025 18.691,1026 1.22,1027 11.739,1028 14.775,1029 5.757,1030 23.347,1031 11.105,1032 3.278,1033 12.651,1034 20.614,1035 1.042,1036 12.961,1037 16.349,1038 6.511,1039 25.881,1040 12.267,1041 2.715,1042 12.048,1043 22.55,1044 4.804,1045 14.13,1046 17.86,1047 7.078,1048 28.38,1049 13.353,1050 2.445,1051 8.312,1052 24.494,1053 4.67,1054 15.342,1055 19.419,1056 7.782,1057 30.905,1058 14.499,1059 2.402,1060 7.663,1061 26.446,1062 3.68,1063 16.538,1064 20.956,1065 8.386,1066 33.418,1067 15.618,1068 2.256,1069 6.891,1070 28.404,1071 3.429,1072 17.751,1073 22.513,1074 9.064,1075 35.941,1076 16.762,1077 2.185,1078 6.462,1079 30.366,1080 3.214,1081 18.96,1082 24.061,1083 9.687,1084 38.46,1085 17.898,1086 14806,1087 28904,1088 23.868,1089 38.784,1090 56.333,1091 58.168,1092 58.138,1093 55.966,1094 55.863,1095 75.792,1096 7.704,1097 167.915,1098 51.849,1099 5.738,1100 6.689,1101 6.88,1102 5.538,1103 5.442,1104 7.804,1105 3.31,1106 20.23,1107 5.227,1108 20.757,1109 1.523,1110 1.572,1111 1.571,1112 1.513,1113 1.51,1114 2.048,1115 0.208,1116 4.538,1117 1.401,1118 4.173,1119 4.196,1120 4.793,1121 4.131,1122 8.201,1123 4.066,1124 4.001,1125 3.969,1126 4.169,1127 3.986,1128 7.717,1129 3.928,1130 3.916,1131 3.94,1132 4.092,1133 3.856,1134 7.43,1135 3.852,1136 3.595,1137 3.647,1138 3.854,1139 3.528,1140 6.999,1141 3.424,1142 3.561,1143 3.554,1144 3.501,1145 3.362,1146 5.008,1147 3.384,1148 3.419,1149 3.459,1150 3.356,1151 3.216,1152 4.885,1153 3.229,1154 3.239,1155 3.3,1156 3.174,1157 3.01,1158 4.723,1159 3.011,1160 3.149,1161 3.218,1162 3.128,1163 2.973,1164 4.595,1165 2.978,1166 0.132,1167 0.127,1168 0.198,1169 0.118,1170 0.093,1171 4.888,1172 0.13,1173 4.689,1174 0.052,1175 7.324,1176 0.342,1177 4.366,1178 0.087,1179 3.442,1180 4.804,1181 1.909,1182 12.651,1183 3.227,1184 1.962,1185 1.94,1186 2.064,1187 2.068,1188 1.244,1189 2.064,1190 1.901,1191 1.888,1192 1.961,1193 1.993,1194 1.138,1195 1.996,1196 1.729,1197 1.777,1198 1.748,1199 1.847,1200 0.944,1201 1.883,1202 1.518,1203 1.461,1204 1.617,1205 1.766,1206 0.85,1207 1.764,1208 1.42,1209 1.405,1210 1.593,1211 1.636,1212 0.703,1213 1.624,1214 1.372,1215 1.324,1216 1.546,1217 1.501,1218 0.606,1219 1.526,1220 1.182,1221 1.114,1222 1.429,1223 1.462,1224 0.575,1225 1.495,1226 1.143,1227 1.089,1228 1.326,1229 1.359,1230 0.54,1231 1.392,1232 4.317,1233 5.673,1234 3.045,1235 7.206,1236 5.416,1237 8.826,1238 7.545,1239 10.5,1241 2.843,1242 5.894,1243 14.971,1247 0.501,1248 5.172,1249 5.371,1257 37.271,1258 108.218,1259 221.545,1260 263.254,1261 291.254,1262 293.254,1263 295.254,1264 94.157,1265 7.989,1266 102.32,1267 138.94,1268 22,1269 12.932,1270 4.644,1271 3.858,1272 56.57,1273 142,1274 168,1275 0.193,1276 237.909,1277 407.18,1278 572.259,1279 32052,1280 3.7,1281 24.457,1282 0.719,1283 0.604,1284 24.691,1285 20.522,1286 16.174,1287 0.437,1288 0.343,1289 10.06,1290 14.101,1291 9.561,1292 7.913,1293 17.281,1294 12.689,1295 15.547,1296 0.288,1297 0.204,1298 17.584,1299 10.998,1300 12.125,1301 0.173,1302 0.114,1303 14.089,1304 7.998,1305 10.321,1306 0.108,1307 0.062,1308 12.157,1309 5.955,1310 8.398,1311 0.069,1312 0.036,1313 10.447,1314 4.344,1315 0.299,1316 117.889,1317 0.205,1318 31.078,1319 0.544,1320 182,1321 678.933,1322 293.318,1323 693.203,1324 912.75,1325 638,1326 215,1327 592.08,1328 314.741,1329 653.501,1330 956.57,1331 609,1332 7.1}
{0 CHEMBL2326923,1 1.843,2 13.816,3 5.326,4 28.366,5 149.407,6 9.024,7 0.537,8 4.269,9 4.36,10 4.09,11 3.85,12 5.413,13 3.82,14 4.798,15 4.934,16 4.454,17 4.241,18 6.12,19 4.206,20 5.051,21 5.19,22 4.627,23 4.396,24 6.384,25 4.334,26 5.178,27 5.379,28 4.537,29 4.362,30 6.395,31 4.286,32 5.069,33 5.254,34 4.567,35 4.332,36 6.306,37 4.269,38 5.115,39 5.316,40 4.524,41 4.37,42 6.379,43 4.306,44 5.071,45 5.234,46 4.439,47 4.393,48 6.304,49 4.326,50 5.14,51 5.329,52 4.423,53 4.396,54 6.295,55 4.302,56 0.213,57 0.931,58 12.207,59 6.069,60 26.316,61 6.595,62 0.612,63 1.461,64 23.088,65 10.17,66 73.049,67 11.609,68 0.86,69 1.797,70 37.994,71 13.425,72 104.349,73 14.591,74 1.221,75 1.978,76 48.987,77 14.467,78 140.928,79 16.427,80 0.947,81 1.823,82 40.57,83 13.229,84 99.768,85 15.243,86 1.13,87 1.892,88 44.901,89 14.352,90 115.044,91 16.698,92 0.777,93 1.814,94 36.291,95 14.061,96 95.593,97 15.657,98 0.93,99 1.836,100 40.068,101 15.289,102 108.004,103 17.934,104 89,105 61,106 0.291,107 0.63,108 0.76,109 0.857,110 0.872,111 0.877,112 3.668,113 1.004,114 -4.81,115 -4.72,116 -4.44,119 40.6,120 2,124 1,125 2,129 1,138 10,139 3,140 4,143 1,148 1,151 1,159 1,163 9,165 1,166 6,169 4,171 4,172 13,176 12,179 2,180 1,181 6,183 9,186 4,187 13,190 1,192 5,194 3,197 2,198 9,203 5,205 9,208 2,209 13,212 1,214 5,217 12,221 11,224 1,226 4,227 15,230 1,231 9,236 4,238 12,241 1,242 9,245 1,246 1,247 1,249 9,252 3010,253 24.537,254 24.537,255 24.537,256 24.537,257 24.537,258 21.464,259 30.714,260 13.897,261 25.283,262 20.133,263 20.133,264 20.133,265 20.133,266 20.133,267 15.274,268 41.793,269 6.488,270 21.403,271 4.157,272 2.009,273 1.179,274 0.567,275 0.473,276 0.442,277 4.352,279 2,283 1,284 1102,285 5,287 88.309,288 361.524,291 166.962,295 2.141,296 57.53,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 83.667,308 525,309 4.881,310 4.688,311 7.322,312 4.36,313 3.431,314 4.766,315 2.009,316 12.608,317 3.203,318 4.683,319 4.025,320 7.053,321 4.256,322 3.285,323 4.631,324 0.86,325 11.652,326 3.176,327 4.376,328 3.373,329 6.925,330 4.178,331 3.227,332 3.715,333 0.594,334 11.338,335 3.02,336 4.103,337 3.275,338 5.9,339 3.699,340 2.713,341 3.682,342 0.522,343 8.167,344 2.685,345 4.077,346 2.939,347 5.837,348 3.573,349 2.696,350 3.501,351 0.229,352 8.048,353 2.29,354 3.727,355 2.709,356 5.548,357 3.331,358 2.381,359 3.158,361 7.407,362 2.258,363 3.407,364 2.615,365 5.267,366 3.029,367 2.071,368 2.75,370 6.254,371 1.985,372 3.332,373 2.384,374 5.003,375 2.933,376 1.977,377 2.59,379 5.913,380 1.868,381 3.081,382 2.17,383 4.731,384 2.56,385 1.579,386 2.304,388 4.688,389 1.532,390 2.882,391 2.131,392 4.515,393 2.534,394 1.571,395 1.947,397 4.222,398 1.457,399 2.819,400 1.668,401 4.366,402 2.353,403 1.414,404 1.913,406 4.028,407 1.331,408 2.765,409 1.643,410 4.042,411 2.305,412 1.391,413 1.82,415 3.514,416 1.196,417 2.659,418 1.317,419 3.742,420 2.171,421 1.189,422 1.725,424 2.806,425 1.168,426 2.632,427 1.219,428 3.5,429 2.165,430 1.175,431 1.679,433 2.619,434 1.153,435 1.747,436 1.051,437 3.243,438 1.427,439 0.472,440 0.536,442 0.995,443 0.425,444 18.529,445 0.488,446 1.373,447 0.036,448 49.5,449 1.303,450 25.5,451 0.671,452 24,453 0.632,454 36.893,455 0.971,456 41.471,457 0.648,458 45.579,459 1.199,460 9.682,461 0.255,462 8.203,463 0.216,464 0.23,465 0.072,466 0.291,472 0.66,473 1.245,474 0.651,475 1.066,476 0.721,477 0.877,478 0.751,479 1.069,480 0.663,481 0.83,482 0.597,483 0.792,484 1.054,485 1.327,486 0.943,487 1.126,488 1.027,489 1.1,490 1.156,491 1.011,492 0.86,493 0.833,494 1.248,495 0.89,496 0.838,497 1.131,498 0.683,499 0.941,500 0.865,501 0.935,502 0.797,503 0.843,504 0.793,505 0.867,506 0.713,507 0.789,508 1.047,509 1.064,510 0.897,511 1.054,512 1.131,513 1.038,514 0.978,515 1.035,516 0.794,517 0.953,518 1.012,519 1.03,520 11,521 0.388,522 5.556,523 3.417,524 2.249,525 2.036,526 1.122,527 0.821,528 0.622,529 0.508,530 21346,531 74709,532 1.979,533 40.6,535 17,538 3,540 6,542 1.79,543 1.795,544 3.72,545 0.843,550 117.967,551 1.843,552 3.991,553 4.821,554 5.433,555 5.527,556 5.558,557 3.222,558 4.787,559 5.215,560 3.935,561 2766.12,562 9.207,563 45869.2,568 384,569 1.759,570 5.134,571 0.268,572 0.009,573 0.091,574 0.054,575 0.039,576 0.035,577 0.018,578 0.014,579 0.011,580 0.011,581 0.549,582 0.17,583 0.88,584 1.268,585 210.771,586 0.01,587 -0.042,588 0.089,589 -0.038,590 -0.151,591 0.029,592 0.1,593 0.047,594 0.091,595 0.114,596 0.164,597 0.12,598 -0.055,599 -0.257,600 -0.034,601 -0.14,602 -0.02,603 -0.178,604 -0.101,605 0.04,606 0.025,607 0.106,608 -0.127,609 0.045,610 0.062,611 -0.065,612 0.138,613 -0.007,614 0.032,615 0.007,616 0.105,617 0.214,618 0.086,619 0.116,620 0.146,621 0.18,622 -0.141,623 -0.017,624 -0.116,625 -0.082,626 -0.12,627 -0.089,628 -0.068,629 -0.067,630 -0.005,631 -0.01,632 -0.095,633 -0.045,634 4.965,635 6.163,636 0.553,637 46.244,638 1.021,639 1.122,640 3.583,641 12.836,642 0.7,643 3.738,644 4.127,645 4.357,646 4.585,647 4.836,648 4.977,649 5.124,650 5.236,651 5.38,652 5.513,653 8.183,654 0.669,655 577.53,656 3.738,657 5.323,658 6.176,659 7.079,660 7.955,661 8.861,662 9.748,663 10.657,664 11.551,665 12.463,666 6.3,671 1,673 1,674 1,676 1,680 2,681 10,682 1,686 7,687 1,688 22,701 1,702 2,703 64,705 25,706 3,707 41,709 67,710 26,711 19,712 8,713 10,717 4,718 5,719 2,721 2,729 20,730 6,731 1,733 3,736 1,737 3,741 1,747 26,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,764 1,769 1,775 1,776 3,779 1,783 1,794 1,796 3,799 1,801 3,802 2,805 38,808 1,809 1,810 2,811 2,812 1,816 1,824 2,825 7.8,826 1,828 3,830 1,832 21.167,833 12.302,834 8.097,835 3.452,836 3.985,837 1.483,838 0.954,839 8.375,840 12.239,841 4.025,842 4.703,843 5.253,844 5.826,845 6.378,846 6.717,847 7.129,848 7.488,849 7.86,850 8.242,851 1,852 63,853 14.423,854 6.6,855 8.041,856 26.123,857 21.55,859 2.541,860 96.556,864 270.735,865 165.231,866 52.855,867 78.297,868 123.141,870 5.807,871 159.424,872 472.174,873 52.855,874 28.533,875 22.222,876 143.253,877 107.231,878 35.516,879 4.472,880 270.735,881 78.297,882 270.735,883 212.279,884 123.141,885 84.105,887 200.109,888 151.084,889 42.683,891 41.649,892 137.562,893 117.173,895 270.735,896 175.996,897 243.528,899 5.807,900 270.735,901 36.128,902 125.073,903 34.416,904 218.101,905 270.735,906 175.996,907 243.528,909 0.603,910 0.344,911 0.164,912 0.093,913 29,914 15,915 0.134,916 9,917 1,918 1.095,919 4.556,920 375.232,921 0.095,922 21,923 195.421,927 1,928 28.361,929 11.222,930 6.509,931 1.143,932 174.22,933 16.862,934 4.565,938 2.525,939 1.666,940 77.099,941 690.26,942 55,945 -4.048,946 38.344,950 -0.48,952 65.371,953 71.831,954 0.307,955 0.665,956 0.803,957 0.906,958 0.921,959 0.926,960 5.301,961 1.977,962 6.24,963 6.254,964 4.812,965 5.391,966 2.378,967 7.132,968 4.698,969 6.577,970 1.579,971 7.868,972 5.913,973 4.745,974 5.551,975 1.593,976 8.425,977 4.537,978 7.949,979 1.571,980 9.608,981 4.688,982 6.561,983 7.745,984 3.217,985 11.436,986 6.34,987 9.36,988 1.414,989 11.415,990 4.222,991 7.252,992 8.68,993 3.201,994 13.5,995 6.939,996 10.804,997 1.391,998 13.263,999 4.028,1000 8.643,1001 10.445,1002 4.402,1003 16.138,1004 8.31,1005 12.27,1006 1.189,1007 15.14,1008 3.514,1009 9.638,1010 11.715,1011 4.719,1012 18.477,1013 9.224,1014 13.754,1015 1.175,1016 17.038,1017 2.806,1018 10.893,1019 13.332,1020 5.702,1021 21.011,1022 10.445,1023 3.431,1024 0.472,1025 18.952,1026 2.619,1027 12.009,1028 14.753,1029 6.184,1030 23.45,1031 11.491,1032 3.285,1033 12.608,1034 20.877,1035 0.995,1036 13.221,1037 16.318,1038 7.047,1039 25.956,1040 12.66,1041 3.227,1042 11.652,1043 22.811,1044 4.766,1045 14.387,1046 17.807,1047 7.619,1048 28.433,1049 13.762,1050 2.713,1051 11.338,1052 24.753,1053 4.631,1054 15.589,1055 19.356,1056 8.414,1057 30.933,1058 14.913,1059 2.696,1060 8.167,1061 26.7,1062 3.715,1063 16.776,1064 20.876,1065 9.038,1066 33.426,1067 16.04,1068 2.381,1069 8.048,1070 28.652,1071 3.682,1072 17.978,1073 22.421,1074 9.793,1075 35.928,1076 17.187,1077 2.071,1078 7.407,1079 30.607,1080 3.501,1081 19.175,1082 23.956,1083 10.447,1084 38.428,1085 18.326,1086 20903,1087 39429,1088 25.948,1089 44.796,1090 62.757,1091 65.677,1092 65.022,1093 62.389,1094 62.217,1095 82.738,1096 8.428,1097 190.538,1098 58.44,1099 5.766,1100 6.688,1101 6.909,1102 5.438,1103 5.431,1104 7.766,1105 3.551,1106 20.16,1107 5.203,1108 25.736,1109 1.531,1110 1.602,1111 1.586,1112 1.522,1113 1.517,1114 2.018,1115 0.206,1116 4.647,1117 1.425,1118 4.173,1119 4.197,1120 4.741,1121 4.103,1122 7.717,1123 4.067,1124 4.015,1125 4,1126 4.09,1127 3.971,1128 7.43,1129 3.936,1130 3.921,1131 3.95,1132 4.054,1133 3.857,1134 6.999,1135 3.853,1136 3.738,1137 3.772,1138 3.856,1139 3.579,1140 6.443,1141 3.574,1142 3.632,1143 3.61,1144 3.655,1145 3.558,1146 5.057,1147 3.497,1148 3.442,1149 3.495,1150 3.4,1151 3.246,1152 5.021,1153 3.258,1154 3.287,1155 3.363,1156 3.363,1157 3.084,1158 4.725,1159 3.085,1160 3.221,1161 3.287,1162 3.147,1163 2.99,1164 4.595,1165 2.997,1166 0.119,1167 0.114,1168 0.179,1169 0.106,1170 0.084,1171 4.881,1172 0.116,1173 4.688,1174 0.049,1175 7.322,1176 0.308,1177 4.36,1178 0.078,1179 3.431,1180 4.766,1181 2.009,1182 12.608,1183 3.203,1184 1.972,1185 1.974,1186 2.068,1187 2.068,1188 1.246,1189 2.07,1190 1.946,1191 1.932,1192 1.989,1193 2.017,1194 1.173,1195 2.047,1196 1.89,1197 1.872,1198 1.909,1199 1.968,1200 1.122,1201 1.978,1202 1.676,1203 1.637,1204 1.887,1205 1.885,1206 1.026,1207 1.882,1208 1.508,1209 1.511,1210 1.624,1211 1.73,1212 0.831,1213 1.714,1214 1.37,1215 1.332,1216 1.563,1217 1.573,1218 0.611,1219 1.595,1220 1.234,1221 1.167,1222 1.467,1223 1.514,1224 0.578,1225 1.529,1226 1.162,1227 1.081,1228 1.417,1229 1.441,1230 0.547,1231 1.456,1232 4.419,1233 5.79,1234 2.398,1235 7.34,1236 4.844,1237 8.969,1238 7.05,1239 10.639,1241 4.335,1242 11.979,1246 9.843,1247 0.546,1248 5.256,1249 5.5,1253 -1.48,1257 42.823,1258 117.967,1259 255.456,1260 308.516,1261 347.735,1262 353.735,1263 355.735,1264 111.369,1265 8.254,1266 122.55,1267 130.93,1268 23,1269 12.98,1270 4.7,1271 3.907,1272 67.441,1273 183,1274 188,1275 0.177,1276 273.351,1277 473.16,1278 658.738,1279 47173,1280 3.1,1281 27.665,1282 0.728,1283 0.609,1284 28.915,1285 23.155,1286 17.885,1287 0.436,1288 0.335,1289 11.504,1290 15.883,1291 10.934,1292 9.079,1293 19.284,1294 13.726,1295 17.732,1296 0.291,1297 0.19,1298 19.774,1299 11.601,1300 13.936,1301 0.181,1302 0.101,1303 15.929,1304 7.8,1305 10.647,1306 0.11,1307 0.054,1308 12.074,1309 5.197,1310 8.781,1311 0.07,1312 0.031,1313 10.425,1314 3.843,1315 0.278,1316 126.884,1317 0.196,1318 34.347,1319 0.482,1320 204,1321 668.315,1322 292.053,1323 721.563,1324 947.73,1325 662,1326 240,1327 616.897,1328 334.01,1329 681.194,1330 992.78,1331 634,1332 6.4}
{0 CHEMBL2326924,1 1.778,2 13.297,3 4.662,4 21.731,5 144.602,6 8.486,7 0.55,8 4.264,9 4.36,10 4.041,11 3.832,12 5.397,13 3.801,14 4.793,15 4.934,16 4.385,17 4.216,18 6.102,19 4.181,20 5.043,21 5.192,22 4.475,23 4.357,24 6.337,25 4.297,26 5.173,27 5.38,28 4.501,29 4.342,30 6.377,31 4.269,32 5.066,33 5.254,34 4.484,35 4.313,36 6.311,37 4.255,38 5.108,39 5.317,40 4.397,41 4.353,42 6.29,43 4.281,44 5.067,45 5.235,46 4.402,47 4.379,48 6.291,49 4.312,50 5.136,51 5.33,52 4.346,53 4.379,54 6.271,55 4.283,56 0.186,57 0.941,58 13.764,59 6.158,60 25.304,61 6.93,62 0.559,63 1.476,64 24.423,65 10.155,66 71.242,67 11.967,68 0.723,69 1.817,70 35.473,71 13.112,72 98.346,73 15.01,74 1.107,75 1.987,76 47.96,77 13.984,78 133.062,79 16.659,80 0.869,81 1.831,82 39.533,83 12.882,84 94.565,85 15.528,86 0.927,87 1.906,88 43.131,89 14.045,90 98.377,91 16.915,92 0.678,93 1.825,94 36.837,95 13.915,96 91.347,97 16.051,98 0.809,99 1.849,100 40.583,101 15.097,102 102.514,103 18.204,104 72,105 59,106 0.28,107 0.616,108 0.752,109 0.855,110 0.872,111 0.877,112 3.642,113 0.993,114 -4.61,115 -4.54,116 -4.27,119 40.6,120 2,124 1,125 2,129 1,138 11,139 3,140 3,143 1,148 1,151 1,159 1,163 10,165 1,166 6,169 4,171 4,172 15,176 12,179 2,180 1,181 6,183 6,186 4,187 13,190 1,192 5,194 3,197 2,198 11,203 6,205 9,208 2,209 11,212 1,214 4,217 12,221 12,224 1,226 4,227 16,230 1,231 9,236 4,238 11,241 1,242 9,245 1,246 1,247 1,249 11,252 2804,253 24.037,254 24.037,255 24.037,256 24.037,257 24.037,258 21.017,259 30.148,260 13.764,261 24.686,262 19.682,263 19.682,264 19.682,265 19.682,266 19.682,267 14.894,268 41.527,269 6.447,270 20.703,271 4.222,272 2.097,273 1.236,274 0.578,275 0.473,276 0.442,277 4.328,279 1,283 1,284 1036,285 4.95,287 84.907,288 349.7,291 160.696,295 2.051,296 53.562,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 81.333,308 492,309 4.878,310 4.687,311 7.32,312 4.358,313 3.428,314 4.764,315 2.009,316 12.604,317 3.202,318 4.681,319 4.025,320 7.053,321 4.256,322 3.285,323 4.628,324 0.86,325 11.651,326 3.176,327 4.376,328 3.372,329 6.925,330 4.176,331 3.225,332 3.683,333 0.594,334 11.338,335 3.018,336 4.078,337 2.939,338 5.839,339 3.699,340 2.707,341 3.501,342 0.522,343 8.156,344 2.685,345 3.838,346 2.889,347 5.549,348 3.332,349 2.402,350 3.395,351 0.229,352 7.409,353 2.259,354 3.727,355 2.709,356 5.341,357 3.316,358 2.381,359 3.158,361 6.692,362 2.171,363 3.397,364 2.615,365 5.103,366 3.024,367 2.062,368 2.739,370 6.026,371 1.983,372 3.331,373 2.382,374 5.002,375 2.913,376 1.963,377 2.59,379 5.896,380 1.849,381 2.993,382 2.149,383 4.557,384 2.56,385 1.578,386 2.177,388 4.261,389 1.532,390 2.882,391 1.689,392 4.504,393 2.462,394 1.52,395 1.913,397 4.222,398 1.367,399 2.765,400 1.644,401 4.366,402 2.353,403 1.391,404 1.82,406 4.028,407 1.328,408 2.663,409 1.319,410 3.739,411 2.179,412 1.201,413 1.733,415 2.809,416 1.169,417 2.637,418 1.254,419 3.501,420 2.171,421 1.175,422 1.692,424 2.62,425 1.165,426 2.603,427 1.166,428 3.486,429 2.092,430 1.102,431 1.637,433 2.524,434 1.085,435 1.747,436 1.051,437 3.182,438 1.427,439 0.471,440 0.535,442 0.995,443 0.425,444 17.814,445 0.481,446 1.283,447 0.035,448 48.75,449 1.318,450 25.5,451 0.689,452 23.25,453 0.628,454 34.31,455 0.927,456 40.386,457 0.631,458 44.521,459 1.203,460 9.594,461 0.259,462 7.88,463 0.213,464 0.199,465 0.075,466 0.275,472 0.666,473 1.247,474 0.715,475 1.122,476 0.726,477 0.912,478 0.756,479 1.075,480 0.719,481 0.882,482 0.595,483 0.832,484 1.091,485 1.327,486 1.065,487 1.182,488 1.05,489 1.133,490 1.17,491 1.006,492 0.87,493 0.826,494 1.253,495 0.873,496 0.891,497 1.13,498 0.866,499 1.015,500 0.865,501 0.961,502 0.935,503 0.832,504 0.907,505 0.847,506 0.822,507 0.798,508 1.075,509 1.06,510 0.969,511 1.073,512 1.142,513 1.038,514 1.039,515 1.028,516 0.902,517 0.982,518 1.041,519 1.049,520 10.5,521 0.339,522 4.889,523 3.354,524 2.076,525 1.869,526 1.083,527 0.766,528 0.587,529 0.403,530 19911,531 64474,532 1.994,533 42.2,535 18,538 3,540 6,542 1.784,543 1.82,544 3.675,545 0.836,550 113.797,551 1.778,552 3.903,553 4.764,554 5.422,555 5.527,556 5.558,557 3.113,558 4.757,559 5.177,560 3.895,561 2594.18,562 9.131,563 42194,568 384,569 1.731,570 5.103,571 0.262,572 0.008,573 0.083,574 0.056,575 0.036,576 0.032,577 0.018,578 0.013,579 0.011,580 0.009,581 0.53,582 0.17,583 0.88,584 1.268,585 203.439,586 0.022,587 -0.043,588 0.12,589 -0.039,590 -0.153,591 0.03,592 0.121,593 0.04,594 0.097,595 0.092,596 0.173,597 0.099,598 -0.074,599 -0.257,600 -0.126,601 -0.179,602 -0.035,603 -0.197,604 -0.075,605 0.039,606 0.074,607 0.119,608 -0.111,609 0.061,610 0.059,611 -0.071,612 0.072,613 -0.057,614 0.054,615 -0.013,616 -0.014,617 0.222,618 0.021,619 0.146,620 0.041,621 0.171,622 -0.133,623 -0.016,624 -0.11,625 -0.074,626 -0.109,627 -0.077,628 -0.096,629 -0.064,630 -0.045,631 -0.022,632 -0.108,633 -0.062,634 4.889,635 6.095,636 0.568,637 43.689,638 1.016,639 1.123,640 3.384,641 11.454,642 0.687,643 3.714,644 4.094,645 4.317,646 4.564,647 4.804,648 4.92,649 5.106,650 5.215,651 5.352,652 5.464,653 8.003,654 0.656,655 543.09,656 3.714,657 5.293,658 6.142,659 7.045,660 7.918,661 8.823,662 9.708,663 10.616,664 11.508,665 12.42,666 6.3,671 1,673 1,674 1,676 1,680 2,681 11,682 1,686 6,687 1,688 22,701 1,702 1,703 64,705 25,706 3,707 40,709 67,710 26,711 19,712 7,713 11,717 4,718 5,719 1,721 2,729 20,730 6,731 1,733 3,736 1,737 3,741 1,747 27,748 8,749 3,750 11,751 2,755 4,760 0.75,761 5,764 1,769 1,775 1,776 3,779 1,783 1,794 1,796 3,799 1,801 3,802 1,805 37,808 1,809 1,810 2,811 2,812 1,816 1,824 1,825 7.8,826 1,828 3,830 1,832 20.333,833 12.243,834 7.903,835 3.465,836 3.961,837 1.484,838 0.954,839 7.924,840 12.144,841 4.007,842 4.675,843 5.221,844 5.806,845 6.349,846 6.656,847 7.117,848 7.477,849 7.842,850 8.209,851 0.889,852 60,853 14.038,854 6.389,855 8.008,856 25.562,857 21.068,859 2.508,860 92.778,864 282.506,865 171.207,866 52.855,867 39.149,868 123.141,870 5.807,871 165.399,872 444.796,873 52.855,874 28.533,875 22.222,876 152.73,877 107.231,878 32.015,879 4.472,880 282.506,881 39.149,882 282.506,883 218.255,884 123.141,885 44.956,887 211.88,888 151.084,889 42.683,891 41.649,892 143.537,893 78.024,895 282.506,896 175.996,897 210.355,899 5.807,900 282.506,901 32.627,902 134.549,903 34.416,904 178.953,905 282.506,906 175.996,907 210.355,909 0.598,910 0.338,911 0.168,912 0.095,913 28,914 14,915 0.134,916 9,917 1,918 1.095,919 4.506,920 361.282,921 0.095,922 21,923 188.75,927 1,928 27.109,929 10.815,930 6.318,931 1.188,932 174.22,933 18.875,934 4.573,938 2.627,939 1.683,940 77.099,941 668.858,942 54,945 -3.973,946 38.198,950 -0.473,952 65.047,953 71.887,954 0.296,955 0.65,956 0.794,957 0.904,958 0.921,959 0.926,960 5.276,961 1.963,962 6.201,963 6.026,964 4.779,965 5.364,966 2.378,967 7.088,968 4.683,969 6.546,970 1.578,971 7.822,972 5.896,973 4.691,974 5.497,975 1.593,976 8.385,977 4.511,978 7.914,979 1.52,980 9.558,981 4.261,982 6.521,983 7.709,984 3.217,985 11.397,986 6.325,987 9.321,988 1.391,989 11.363,990 4.222,991 7.201,992 8.63,993 3.201,994 13.473,995 6.921,996 10.762,997 1.201,998 13.213,999 4.028,1000 8.602,1001 10.406,1002 4.402,1003 16.113,1004 8.297,1005 12.228,1006 1.175,1007 15.093,1008 2.809,1009 9.594,1010 11.673,1011 4.719,1012 18.461,1013 9.212,1014 13.712,1015 1.102,1016 16.995,1017 2.62,1018 10.855,1019 13.297,1020 5.702,1021 20.998,1022 10.435,1023 3.428,1024 0.471,1025 18.912,1026 2.524,1027 11.972,1028 14.718,1029 6.184,1030 23.441,1031 11.483,1032 3.285,1033 12.604,1034 20.842,1035 0.995,1036 13.189,1037 16.288,1038 7.047,1039 25.948,1040 12.653,1041 3.225,1042 11.651,1043 22.78,1044 4.764,1045 14.357,1046 17.779,1047 7.619,1048 28.427,1049 13.756,1050 2.707,1051 11.338,1052 24.726,1053 4.628,1054 15.562,1055 19.331,1056 8.414,1057 30.928,1058 14.908,1059 2.402,1060 8.156,1061 26.677,1062 3.683,1063 16.751,1064 20.854,1065 9.038,1066 33.421,1067 16.036,1068 2.381,1069 7.409,1070 28.632,1071 3.501,1072 17.955,1073 22.401,1074 9.793,1075 35.923,1076 17.183,1077 2.062,1078 6.692,1079 30.59,1080 3.395,1081 19.154,1082 23.938,1083 10.447,1084 38.424,1085 18.322,1086 19452,1087 35246,1088 25.542,1089 43.938,1090 61.277,1091 63.148,1092 62.832,1093 60.842,1094 60.638,1095 80.972,1096 8.428,1097 184,1098 57.641,1099 5.764,1100 6.687,1101 6.908,1102 5.43,1103 5.428,1104 7.764,1105 3.551,1106 20.147,1107 5.202,1108 23.799,1109 1.532,1110 1.579,1111 1.571,1112 1.521,1113 1.516,1114 2.024,1115 0.211,1116 4.6,1117 1.441,1118 4.173,1119 4.197,1120 4.74,1121 4.1,1122 7.717,1123 4.065,1124 4.013,1125 4,1126 4.088,1127 3.968,1128 7.43,1129 3.93,1130 3.921,1131 3.95,1132 3.916,1133 3.857,1134 6.999,1135 3.853,1136 3.738,1137 3.772,1138 3.854,1139 3.561,1140 6.443,1141 3.574,1142 3.624,1143 3.611,1144 3.655,1145 3.554,1146 5.049,1147 3.479,1148 3.441,1149 3.495,1150 3.363,1151 3.245,1152 4.921,1153 3.257,1154 3.287,1155 3.363,1156 3.22,1157 3.083,1158 4.725,1159 3.084,1160 3.221,1161 3.287,1162 3.141,1163 2.989,1164 4.595,1165 2.996,1166 0.122,1167 0.117,1168 0.183,1169 0.109,1170 0.086,1171 4.878,1172 0.119,1173 4.687,1174 0.05,1175 7.32,1176 0.315,1177 4.358,1178 0.08,1179 3.428,1180 4.764,1181 2.009,1182 12.604,1183 3.202,1184 1.973,1185 1.974,1186 2.068,1187 2.068,1188 1.246,1189 2.072,1190 1.949,1191 1.932,1192 1.99,1193 2.022,1194 1.172,1195 2.054,1196 1.891,1197 1.872,1198 1.951,1199 1.973,1200 1.122,1201 1.981,1202 1.676,1203 1.637,1204 1.887,1205 1.885,1206 1.026,1207 1.882,1208 1.512,1209 1.51,1210 1.624,1211 1.735,1212 0.832,1213 1.723,1214 1.373,1215 1.332,1216 1.563,1217 1.581,1218 0.623,1219 1.603,1220 1.234,1221 1.166,1222 1.468,1223 1.514,1224 0.581,1225 1.529,1226 1.162,1227 1.081,1228 1.417,1229 1.444,1230 0.55,1231 1.458,1232 4.394,1233 5.759,1234 2.398,1235 7.303,1236 4.844,1237 8.927,1238 7.05,1239 10.593,1241 4.356,1242 5.998,1246 9.837,1247 0.574,1248 5.284,1249 5.502,1253 -1.473,1257 41.996,1258 113.797,1259 249.787,1260 304.927,1261 346.98,1262 353.735,1263 355.735,1264 102.498,1265 8.183,1266 122.55,1267 130.93,1268 23,1269 12.938,1270 4.7,1271 3.907,1272 64.683,1273 174,1274 179,1275 0.178,1276 265.019,1277 457.95,1278 638.405,1279 43202,1280 1.6,1281 26.794,1282 0.724,1283 0.597,1284 27.544,1285 22.098,1286 17.475,1287 0.437,1288 0.331,1289 11.369,1290 15.732,1291 10.833,1292 9.019,1293 18.584,1294 13.243,1295 17.236,1296 0.292,1297 0.188,1298 18.945,1299 11.104,1300 13.274,1301 0.179,1302 0.097,1303 14.614,1304 7.201,1305 10.534,1306 0.111,1307 0.054,1308 11.845,1309 5.099,1310 8.643,1311 0.071,1312 0.03,1313 10.058,1314 3.609,1315 0.28,1316 121.245,1317 0.198,1318 33.6,1319 0.487,1320 198,1321 634.112,1322 270.533,1323 659.501,1324 875.7,1325 606,1326 232,1327 589.035,1328 308.539,1329 643.554,1330 935.12,1331 599,1332 7.3}
{0 CHEMBL2326925,1 1.843,2 13.368,3 5.326,4 28.366,5 149.407,6 9.024,7 0.537,8 4.269,9 4.36,10 4.09,11 3.85,12 5.413,13 3.82,14 4.798,15 4.934,16 4.454,17 4.241,18 6.118,19 4.206,20 5.052,21 5.19,22 4.697,23 4.41,24 6.374,25 4.344,26 5.185,27 5.378,28 4.649,29 4.378,30 6.478,31 4.311,32 5.072,33 5.253,34 4.521,35 4.333,36 6.328,37 4.273,38 5.112,39 5.316,40 4.471,41 4.371,42 6.313,43 4.301,44 5.074,45 5.234,46 4.507,47 4.406,48 6.316,49 4.342,50 5.144,51 5.329,52 4.495,53 4.415,54 6.317,55 4.324,56 0.213,57 0.931,58 12.207,59 6.069,60 26.343,61 6.595,62 0.612,63 1.461,64 23.088,65 10.17,66 73.272,67 11.609,68 0.855,69 1.791,70 39.913,71 13.563,72 106.184,73 14.593,74 1.344,75 1.959,76 51.405,77 14.591,78 154.675,79 16.43,80 0.968,81 1.818,82 40.056,83 13.227,84 99.614,85 15.253,86 1.033,87 1.895,88 43.501,89 14.31,90 102.878,91 16.702,92 0.79,93 1.803,94 36.286,95 14.073,96 94.985,97 15.658,98 0.964,99 1.827,100 41.085,101 15.458,102 109.646,103 17.944,104 89,105 61,106 0.291,107 0.63,108 0.758,109 0.855,110 0.872,111 0.877,112 3.668,113 1.005,114 -4.81,115 -4.72,116 -4.44,119 40.6,120 2,124 1,125 2,129 1,138 10,139 3,140 4,143 1,148 1,151 1,159 1,163 10,165 1,166 6,169 4,171 4,172 12,176 10,179 2,180 1,181 5,183 8,186 4,187 15,190 1,192 6,194 4,197 2,198 10,203 6,205 8,208 2,209 11,212 1,214 4,217 13,221 12,224 1,226 4,227 14,230 1,231 10,236 4,238 11,241 1,242 9,245 1,246 1,247 1,249 11,252 2966,253 24.59,254 24.59,255 24.59,256 24.59,257 24.59,258 21.488,259 29.802,260 13.954,261 25.304,262 20.127,263 20.127,264 20.127,265 20.127,266 20.127,267 15.258,268 41.075,269 6.489,270 21.366,271 4.157,272 2.009,273 1.191,274 0.578,275 0.473,276 0.442,277 4.352,279 2,283 1,284 1067,285 5,287 87.073,288 359.331,291 164.865,295 2.072,296 58.223,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 83.667,308 508,309 4.913,310 4.719,311 7.424,312 4.389,313 3.47,314 4.792,315 2.009,316 12.995,317 3.206,318 4.69,319 4.025,320 7.053,321 4.256,322 3.286,323 4.65,324 0.86,325 11.699,326 3.176,327 4.376,328 3.376,329 6.932,330 4.195,331 3.242,332 3.688,333 0.594,334 11.338,335 3.034,336 4.084,337 3.22,338 6.038,339 3.699,340 2.71,341 3.679,342 0.522,343 8.379,344 2.685,345 4.071,346 2.939,347 5.834,348 3.537,349 2.648,350 3.501,351 0.229,352 8.127,353 2.287,354 3.727,355 2.709,356 5.548,357 3.331,358 2.381,359 3.158,361 7.404,362 2.257,363 3.398,364 2.615,365 5.235,366 3.025,367 2.062,368 2.74,370 6.153,371 1.984,372 3.331,373 2.385,374 5.003,375 2.915,376 1.964,377 2.59,379 5.908,380 1.853,381 2.996,382 2.197,383 4.731,384 2.56,385 1.578,386 2.178,388 4.506,389 1.532,390 2.882,391 2.066,392 4.516,393 2.463,394 1.535,395 2.021,397 4.222,398 1.367,399 2.864,400 1.644,401 4.366,402 2.358,403 1.414,404 1.913,406 4.028,407 1.328,408 2.765,409 1.595,410 3.884,411 2.349,412 1.391,413 1.82,415 3.173,416 1.274,417 2.659,418 1.319,419 3.74,420 2.171,421 1.19,422 1.725,424 2.808,425 1.168,426 2.632,427 1.236,428 3.501,429 2.165,430 1.175,431 1.68,433 2.619,434 1.151,435 1.747,436 1.051,437 3.284,438 1.427,439 0.473,440 0.536,442 0.995,443 0.425,444 18.529,445 0.488,446 1.356,447 0.036,448 49.5,449 1.303,450 25.5,451 0.671,452 24,453 0.632,454 37.246,455 0.98,456 41.471,457 0.648,458 45.735,459 1.204,460 9.698,461 0.255,462 8.204,463 0.216,464 0.23,465 0.072,466 0.291,472 0.66,473 1.245,474 0.651,475 1.066,476 0.72,477 0.877,478 0.751,479 1.069,480 0.663,481 0.83,482 0.601,483 0.792,484 1.032,485 1.318,486 0.832,487 1.057,488 1.04,489 1.058,490 1.083,491 1.015,492 0.887,493 0.876,494 1.166,495 0.884,496 0.902,497 1.135,498 0.87,499 1.02,500 0.878,501 0.98,502 0.881,503 0.837,504 0.799,505 0.822,506 0.8,507 0.779,508 1.029,509 1.061,510 0.874,511 1.032,512 1.131,513 1.002,514 0.984,515 1.023,516 0.827,517 0.943,518 1.016,519 1.005,520 10.5,521 0.355,522 5.556,523 3.917,524 2.187,525 1.924,526 1.083,527 0.932,528 0.633,529 0.458,530 21082,531 72885,532 1.979,533 40.6,535 17,538 3,540 6,542 1.791,543 1.795,544 3.677,545 0.843,550 117.967,551 1.843,552 3.991,553 4.809,554 5.422,555 5.527,556 5.558,557 3.112,558 4.787,559 5.216,560 3.905,561 2745.22,562 9.209,563 45329.1,568 384,569 1.759,570 5.134,571 0.256,572 0.008,573 0.091,574 0.061,575 0.036,576 0.033,577 0.018,578 0.015,579 0.011,580 0.01,581 0.539,582 0.17,583 0.88,584 1.268,585 210.336,586 0.01,587 -0.042,588 0.089,589 -0.038,590 -0.151,591 0.029,592 0.1,593 0.047,594 0.091,595 0.114,596 0.159,597 0.12,598 -0.033,599 -0.248,600 0.079,601 -0.07,602 -0.033,603 -0.135,604 0.009,605 0.03,606 0.085,607 0.078,608 -0.027,609 0.053,610 0.024,611 -0.073,612 0.012,613 -0.076,614 0.032,615 -0.038,616 0.007,617 0.223,618 0.049,619 0.156,620 0.051,621 0.191,622 -0.109,623 -0.015,624 -0.061,625 -0.053,626 -0.113,627 -0.052,628 -0.049,629 -0.057,630 0.021,631 0.011,632 -0.087,633 -0.019,634 5.052,635 6.231,636 0.553,637 44.903,638 1.021,639 1.122,640 3.583,641 12.836,642 0.7,643 3.738,644 4.127,645 4.369,646 4.615,647 4.828,648 4.949,649 5.136,650 5.263,651 5.394,652 5.501,653 8.074,654 0.669,655 577.53,656 3.738,657 5.323,658 6.18,659 7.088,660 7.966,661 8.877,662 9.765,663 10.679,664 11.574,665 12.49,666 6.3,671 1,673 1,674 1,676 1,680 2,681 10,682 1,686 7,687 1,688 22,701 1,702 2,703 64,705 25,706 3,707 41,709 67,710 26,711 19,712 8,713 10,717 4,718 5,719 2,721 2,729 20,730 6,731 1,733 3,736 1,737 3,741 1,747 26,748 8,749 3,750 12,751 3,755 4,760 0.75,761 5,764 1,769 1,775 1,776 3,779 1,783 1,794 1,796 3,799 1,801 3,802 2,805 38,808 1,809 1,810 2,811 2,812 1,816 1,824 2,825 7.8,826 1,828 3,830 1,832 21.167,833 12.302,834 8.125,835 3.459,836 4.016,837 1.487,838 0.954,839 8.375,840 12.27,841 4.025,842 4.703,843 5.261,844 5.848,845 6.369,846 6.681,847 7.137,848 7.513,849 7.864,850 8.231,851 0.889,852 64,853 14.459,854 6.652,855 8.041,856 26.123,857 21.554,859 2.541,860 96.556,864 270.735,865 165.231,866 52.855,867 78.297,868 123.141,870 5.807,871 159.424,872 472.174,873 52.855,874 28.533,875 22.222,876 143.253,877 107.231,878 35.516,879 4.472,880 270.735,881 78.297,882 270.735,883 212.279,884 123.141,885 84.105,887 200.109,888 151.084,889 42.683,891 41.649,892 137.562,893 117.173,895 270.735,896 175.996,897 243.528,899 5.807,900 270.735,901 36.128,902 125.073,903 34.416,904 218.101,905 270.735,906 175.996,907 243.528,909 0.601,910 0.348,911 0.172,912 0.092,913 29,914 15,915 0.134,916 9,917 1,918 1.095,919 4.529,920 377.505,921 0.095,922 21,923 195.421,927 1,928 28.361,929 11.222,930 6.337,931 1.116,932 174.22,933 17.149,934 4.56,938 2.038,939 1.657,940 77.099,941 690.26,942 55,945 -4.135,946 38.483,950 -0.482,952 65.371,953 71.831,954 0.307,955 0.665,956 0.801,957 0.904,958 0.921,959 0.926,960 5.301,961 1.964,962 6.244,963 6.153,964 4.812,965 5.391,966 2.378,967 7.146,968 4.698,969 6.577,970 1.578,971 7.877,972 5.908,973 4.745,974 5.551,975 1.593,976 8.455,977 4.537,978 7.951,979 1.535,980 9.624,981 4.506,982 6.567,983 7.749,984 3.217,985 11.488,986 6.342,987 9.364,988 1.414,989 11.438,990 4.222,991 7.266,992 8.691,993 3.201,994 13.569,995 6.944,996 10.811,997 1.391,998 13.295,999 4.028,1000 8.661,1001 10.458,1002 4.402,1003 16.231,1004 8.315,1005 12.281,1006 1.19,1007 15.18,1008 3.173,1009 9.666,1010 11.738,1011 4.719,1012 18.589,1013 9.233,1014 13.77,1015 1.175,1016 17.087,1017 2.808,1018 10.927,1019 13.357,1020 5.702,1021 21.15,1022 10.455,1023 3.47,1024 0.473,1025 19.009,1026 2.619,1027 12.054,1028 14.787,1029 6.184,1030 23.61,1031 11.504,1032 3.286,1033 12.995,1034 20.943,1035 0.995,1036 13.274,1037 16.356,1038 7.047,1039 26.144,1040 12.673,1041 3.242,1042 11.699,1043 22.886,1044 4.792,1045 14.45,1046 17.852,1047 7.619,1048 28.646,1049 13.777,1050 2.71,1051 11.338,1052 24.837,1053 4.65,1054 15.661,1055 19.406,1056 8.414,1057 31.175,1058 14.93,1059 2.648,1060 8.379,1061 26.794,1062 3.688,1063 16.858,1064 20.933,1065 9.038,1066 33.696,1067 16.058,1068 2.381,1069 8.127,1070 28.755,1071 3.679,1072 18.069,1073 22.483,1074 9.793,1075 36.228,1076 17.206,1077 2.062,1078 7.404,1079 30.721,1080 3.501,1081 19.276,1082 24.025,1083 10.447,1084 38.759,1085 18.345,1086 20652,1087 38722,1088 25.948,1089 44.796,1090 62.63,1091 65.892,1092 65.215,1093 62.32,1094 62.158,1095 82.683,1096 8.428,1097 190.845,1098 58.417,1099 5.798,1100 6.719,1101 7.011,1102 5.469,1103 5.47,1104 7.792,1105 3.551,1106 20.955,1107 5.206,1108 25.575,1109 1.528,1110 1.607,1111 1.591,1112 1.52,1113 1.516,1114 2.017,1115 0.206,1116 4.655,1117 1.425,1118 4.174,1119 4.197,1120 4.748,1121 4.105,1122 7.717,1123 4.068,1124 4.016,1125 4,1126 4.091,1127 3.972,1128 7.43,1129 3.939,1130 3.921,1131 3.95,1132 4.022,1133 3.857,1134 6.999,1135 3.853,1136 3.738,1137 3.772,1138 3.856,1139 3.565,1140 6.443,1141 3.574,1142 3.626,1143 3.61,1144 3.655,1145 3.557,1146 5.055,1147 3.483,1148 3.441,1149 3.495,1150 3.384,1151 3.245,1152 5.012,1153 3.257,1154 3.287,1155 3.363,1156 3.361,1157 3.083,1158 4.725,1159 3.084,1160 3.221,1161 3.287,1162 3.204,1163 2.989,1164 4.595,1165 2.996,1166 0.12,1167 0.115,1168 0.181,1169 0.107,1170 0.085,1171 4.913,1172 0.117,1173 4.719,1174 0.049,1175 7.424,1176 0.317,1177 4.389,1178 0.078,1179 3.47,1180 4.792,1181 2.009,1182 12.995,1183 3.206,1184 1.972,1185 1.974,1186 2.068,1187 2.068,1188 1.247,1189 2.07,1190 1.946,1191 1.932,1192 1.989,1193 2.015,1194 1.173,1195 2.045,1196 1.89,1197 1.872,1198 1.915,1199 1.967,1200 1.122,1201 1.978,1202 1.676,1203 1.637,1204 1.887,1205 1.885,1206 1.026,1207 1.882,1208 1.512,1209 1.51,1210 1.624,1211 1.733,1212 0.831,1213 1.72,1214 1.373,1215 1.332,1216 1.563,1217 1.58,1218 0.622,1219 1.603,1220 1.234,1221 1.166,1222 1.468,1223 1.514,1224 0.581,1225 1.529,1226 1.162,1227 1.081,1228 1.417,1229 1.444,1230 0.55,1231 1.458,1232 4.419,1233 5.79,1234 2.398,1235 7.344,1236 4.844,1237 8.98,1238 7.05,1239 10.659,1241 4.327,1242 12.212,1246 9.845,1247 0.534,1248 5.235,1249 5.5,1253 -1.482,1257 42.823,1258 117.967,1259 255.456,1260 307.761,1261 346.98,1262 353.735,1263 355.735,1264 112.851,1265 8.254,1266 122.55,1267 130.93,1268 23,1269 13.005,1270 4.7,1271 3.907,1272 67.424,1273 181,1274 188,1275 0.179,1276 273.351,1277 473.16,1278 658.738,1279 47173,1280 3.1,1281 27.665,1282 0.728,1283 0.609,1284 28.915,1285 23.155,1286 17.902,1287 0.437,1288 0.335,1289 11.51,1290 15.946,1291 10.942,1292 9.089,1293 19.3,1294 13.732,1295 17.642,1296 0.289,1297 0.189,1298 19.627,1299 11.516,1300 13.944,1301 0.179,1302 0.103,1303 16.061,1304 8.041,1305 11.059,1306 0.111,1307 0.056,1308 13.014,1309 5.615,1310 8.694,1311 0.07,1312 0.03,1313 10.188,1314 3.697,1315 0.281,1316 126.985,1317 0.196,1318 34.264,1319 0.491,1320 204,1321 668.315,1322 292.053,1323 721.502,1324 948.39,1325 662,1326 241,1327 617.897,1328 341.892,1329 682.256,1330 997.05,1331 635,1332 6.4}
{0 CHEMBL2326926,1 1.755,2 13.816,3 4.689,4 21.986,5 145.055,6 8.07,7 0.537,8 4.306,9 4.408,10 4.037,11 3.85,12 5.452,13 3.825,14 4.841,15 4.993,16 4.377,17 4.231,18 6.152,19 4.205,20 5.085,21 5.235,22 4.485,23 4.375,24 6.413,25 4.332,26 5.245,27 5.459,28 4.465,29 4.36,30 6.47,31 4.301,32 5.122,33 5.325,34 4.454,35 4.33,36 6.438,37 4.269,38 5.13,39 5.333,40 4.43,41 4.373,42 6.341,43 4.308,44 5.136,45 5.306,46 4.389,47 4.392,48 6.411,49 4.337,50 5.172,51 5.372,52 4.319,53 4.381,54 6.329,55 4.297,56 0.194,57 1.056,58 15.341,59 6.591,60 26.8,61 7.524,62 0.587,63 1.656,64 26.662,65 10.732,66 76.339,67 12.859,68 0.738,69 2.074,70 35.573,71 13.458,72 103.027,73 15.593,74 1.255,75 2.287,76 48.478,77 14.429,78 162.089,79 17.573,80 1.067,81 2.04,82 39.872,83 13.344,84 147.661,85 16.807,86 0.918,87 2.019,88 45.499,89 14.546,90 98.74,91 17.434,92 0.88,93 2.016,94 40.17,95 14.248,96 126.668,97 16.533,98 0.86,99 2.055,100 41.569,101 15.338,102 109.248,103 18.944,104 89,105 61,106 0.274,107 0.615,108 0.765,109 0.851,110 0.867,111 0.872,112 3.668,113 0.972,114 -4.71,115 -4.63,116 -4.35,119 40.3,120 3,124 1,125 2,129 1,138 10,139 4,140 3,143 1,148 1,151 1,159 1,163 11,165 1,166 6,169 4,171 4,172 14,176 12,179 2,180 1,181 6,183 7,186 4,187 13,190 1,192 5,194 2,197 2,198 9,203 5,205 9,208 2,209 13,212 1,214 5,217 12,221 11,224 1,226 4,227 15,230 1,231 9,236 4,238 12,241 1,242 9,245 1,246 1,247 1,249 9,252 3010,253 24.537,254 24.537,255 24.537,256 24.537,257 24.537,258 21.464,259 31.249,260 13.897,261 25.101,262 20.133,263 20.133,264 20.133,265 20.133,266 20.133,267 15.274,268 42.263,269 6.488,270 20.993,271 4.312,272 2.137,273 1.179,274 0.623,275 0.523,276 0.493,277 4.352,283 1,284 1102,285 5,287 88.309,288 361.524,291 166.962,295 2.141,296 61.676,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 84.5,308 525,309 4.881,310 4.688,311 7.322,312 4.361,313 3.431,314 4.766,315 2.009,316 12.608,317 3.204,318 4.683,319 4.025,320 7.053,321 4.256,322 3.285,323 4.631,324 0.86,325 11.652,326 3.176,327 4.376,328 3.372,329 6.925,330 4.18,331 3.227,332 3.715,333 0.594,334 11.338,335 3.03,336 4.103,337 3.111,338 5.9,339 3.7,340 2.713,341 3.682,342 0.522,343 8.167,344 2.686,345 4.077,346 2.939,347 5.837,348 3.664,349 2.696,350 3.501,351 0.229,352 8.048,353 2.597,354 3.727,355 2.709,356 5.548,357 3.331,358 2.381,359 3.158,361 7.407,362 2.259,363 3.407,364 2.615,365 5.267,366 3.031,367 2.071,368 2.75,370 6.254,371 1.987,372 3.332,373 2.383,374 5.003,375 2.938,376 1.977,377 2.59,379 5.913,380 1.889,381 3.081,382 2.15,383 4.731,384 2.565,385 1.579,386 2.304,388 4.688,389 1.559,390 2.882,391 1.866,392 4.515,393 2.559,394 1.571,395 1.947,397 4.222,398 1.532,399 2.819,400 1.649,401 4.366,402 2.371,403 1.414,404 1.913,406 4.028,407 1.336,408 2.765,409 1.64,410 4.042,411 2.354,412 1.391,413 1.82,415 3.514,416 1.332,417 2.659,418 1.317,419 3.742,420 2.171,421 1.189,422 1.725,424 2.806,425 1.168,426 2.632,427 1.217,428 3.5,429 2.166,430 1.175,431 1.679,433 2.619,434 1.158,435 1.747,436 1.051,437 3.243,438 1.427,439 0.472,440 0.536,442 0.995,443 0.425,444 17.886,445 0.471,446 1.373,447 0.036,448 49.25,449 1.296,450 25.5,451 0.671,452 23.75,453 0.625,454 35.949,455 0.946,456 42.114,457 0.629,458 46.522,459 1.224,460 9.782,461 0.257,462 8.104,463 0.213,464 0.202,465 0.075,466 0.302,470 1,472 0.638,473 1.163,474 0.796,475 1.192,476 0.68,477 0.959,478 0.719,479 1.013,480 0.755,481 0.915,482 0.581,483 0.832,484 1.059,485 1.316,486 1.078,487 1.229,488 1.014,489 1.158,490 1.21,491 1.036,492 1.03,493 0.905,494 1.268,495 0.923,496 0.804,497 0.974,498 0.846,499 0.92,500 0.755,501 0.921,502 0.869,503 0.843,504 1.152,505 1.016,506 0.729,507 0.841,508 1.176,509 0.901,510 1.181,511 1.057,512 1.249,513 1.048,514 0.96,515 0.972,516 0.977,517 1.019,518 0.948,519 1.056,520 11,521 0.388,522 5.556,523 3.417,524 2.249,525 2.036,526 1.122,527 0.821,528 0.622,529 0.508,530 21346,531 66927,532 1.979,533 43.3,534 3,535 17,538 3,540 6,542 1.79,543 1.795,544 3.72,545 0.817,550 117.555,551 1.755,552 3.929,553 4.887,554 5.443,555 5.543,556 5.573,557 3.222,558 4.787,559 5.215,560 3.935,561 2766.12,562 9.207,563 45869.2,568 406.428,569 1.759,570 5.134,571 0.268,572 0.009,573 0.091,574 0.054,575 0.039,576 0.035,577 0.018,578 0.014,579 0.011,580 0.011,581 0.549,582 0.17,583 0.88,584 1.268,585 210.771,586 0.018,587 -0.044,588 0.154,589 -0.038,590 -0.128,591 0.03,592 0.109,593 0.019,594 0.144,595 0.1,596 0.142,597 0.133,598 -0.068,599 -0.256,600 -0.113,601 -0.197,602 -0.033,603 -0.207,604 -0.098,606 0.001,607 0.048,608 -0.141,609 0.014,610 0.126,611 0.035,612 0.127,613 0.048,614 0.144,615 0.042,616 -0.006,617 0.122,618 -0.001,619 0.078,620 0.059,621 0.15,622 -0.18,623 0.044,624 -0.204,625 -0.045,626 -0.156,627 -0.09,628 -0.062,629 -0.065,630 -0.059,631 -0.042,632 -0.079,633 -0.058,634 5.062,635 6.098,636 0.553,637 46.244,638 1.017,639 1.13,640 3.484,641 12.138,642 0.668,643 3.738,644 4.127,645 4.357,646 4.585,647 4.836,648 4.977,649 5.124,650 5.236,651 5.38,652 5.513,653 8.183,654 0.643,655 540.67,656 3.738,657 5.323,658 6.176,659 7.079,660 7.955,661 8.861,662 9.748,663 10.657,664 11.551,665 12.463,666 6,671 1,673 1,674 1,676 1,680 2,681 10,682 1,686 7,687 1,688 22,701 1,702 1,703 67,705 25,706 3,707 41,709 70,710 27,711 19,712 8,713 10,717 4,718 5,721 3,729 20,730 7,731 1,733 3,736 1,737 3,741 1,745 1,747 29,748 9,749 3,750 11,751 1,755 4,760 0.75,761 5,764 1,769 1,775 1,776 3,779 1,783 1,794 1,796 3,799 1,801 4,803 1,805 38,808 1,809 1,810 2,811 2,812 1,816 1,824 1,825 7.5,826 1,828 3,830 1,832 21.167,833 13.16,834 8.097,835 3.666,836 3.985,837 1.483,838 0.953,839 7.908,840 12.239,841 4.025,842 4.703,843 5.253,844 5.826,845 6.378,846 6.717,847 7.129,848 7.488,849 7.86,850 8.242,851 1,852 63,853 14.524,854 6.702,855 8.088,856 26.197,857 21.607,859 2.588,860 98.333,864 306.049,865 179.362,866 52.855,868 123.141,869 14.96,870 5.807,871 173.554,872 429.19,873 67.815,874 37.359,875 22.222,876 143.253,877 107.231,878 40.821,879 19.432,880 306.049,882 306.049,883 226.409,884 138.101,885 5.807,887 250.382,888 151.084,889 42.683,891 50.474,892 142.867,893 38.875,895 321.009,896 175.996,897 179.362,899 5.807,900 306.049,901 41.433,902 133.898,903 34.416,904 154.764,905 306.049,906 190.957,907 179.362,909 0.603,910 0.344,911 0.164,912 0.093,913 29,914 15,915 0.129,916 9,917 1,918 1.095,919 4.556,920 375.232,921 0.095,922 21,923 195.421,927 1,928 27.741,929 10.832,930 6.246,931 1.081,932 189.18,933 16.418,934 4.53,938 1.621,939 1.639,940 77.099,941 676.367,942 55,945 -4.145,946 38.207,950 -0.488,952 68.12,953 75.698,954 0.289,955 0.648,956 0.806,957 0.897,958 0.914,959 0.919,960 5.301,961 1.977,962 6.24,963 6.254,964 4.812,965 5.391,966 2.378,967 7.132,968 4.73,969 6.577,970 1.579,971 7.868,972 5.913,973 4.745,974 5.551,975 1.593,976 8.425,977 4.593,978 7.949,979 1.571,980 9.608,981 4.688,982 6.561,983 7.745,984 3.217,985 11.436,986 6.384,987 9.36,988 1.414,989 11.415,990 4.222,991 7.252,992 8.68,993 3.201,994 13.5,995 6.996,996 10.804,997 1.391,998 13.263,999 4.028,1000 8.643,1001 10.445,1002 4.402,1003 16.138,1004 8.358,1005 12.27,1006 1.189,1007 15.14,1008 3.514,1009 9.638,1010 11.715,1011 4.719,1012 18.477,1013 9.276,1014 13.754,1015 1.175,1016 17.038,1017 2.806,1018 10.893,1019 13.332,1020 5.702,1021 21.011,1022 10.49,1023 3.431,1024 0.472,1025 18.952,1026 2.619,1027 12.009,1028 14.753,1029 6.184,1030 23.45,1031 11.536,1032 3.285,1033 12.608,1034 20.877,1035 0.995,1036 13.221,1037 16.318,1038 7.047,1039 25.956,1040 12.7,1041 3.227,1042 11.652,1043 22.811,1044 4.766,1045 14.387,1046 17.807,1047 7.619,1048 28.433,1049 13.8,1050 2.713,1051 11.338,1052 24.753,1053 4.631,1054 15.589,1055 19.356,1056 8.414,1057 30.933,1058 14.947,1059 2.696,1060 8.167,1061 26.7,1062 3.715,1063 16.776,1064 20.876,1065 9.038,1066 33.426,1067 16.072,1068 2.381,1069 8.048,1070 28.652,1071 3.682,1072 17.978,1073 22.421,1074 9.793,1075 35.928,1076 17.216,1077 2.071,1078 7.407,1079 30.607,1080 3.501,1081 19.175,1082 23.956,1083 10.447,1084 38.428,1085 18.353,1086 20903,1087 37239,1088 25.948,1089 44.779,1090 62.757,1091 65.216,1092 65.022,1093 62.257,1094 62.217,1095 82.738,1096 8.428,1097 190.538,1098 59.688,1099 5.766,1100 6.688,1101 6.909,1102 5.434,1103 5.431,1104 7.766,1105 3.551,1106 20.16,1107 5.204,1108 25.736,1109 1.531,1110 1.591,1111 1.586,1112 1.518,1113 1.517,1114 2.018,1115 0.206,1116 4.647,1117 1.456,1118 4.175,1119 4.198,1120 4.739,1121 4.102,1122 8.201,1123 4.067,1124 4.022,1125 4.017,1126 4.088,1127 3.969,1128 7.717,1129 3.938,1130 3.921,1131 3.952,1132 3.859,1133 3.857,1134 7.43,1135 3.854,1136 3.738,1137 3.772,1138 3.765,1139 3.592,1140 6.999,1141 3.574,1142 3.673,1143 3.659,1144 3.655,1145 3.558,1146 6.443,1147 3.521,1148 3.443,1149 3.5,1150 3.362,1151 3.247,1152 5.048,1153 3.26,1154 3.288,1155 3.365,1156 3.142,1157 3.086,1158 4.725,1159 3.088,1160 3.224,1161 3.291,1162 3.069,1163 2.993,1164 4.597,1165 3.001,1166 0.119,1167 0.114,1168 0.179,1169 0.106,1170 0.084,1171 4.881,1172 0.116,1173 4.688,1174 0.049,1175 7.322,1176 0.308,1177 4.361,1178 0.078,1179 3.431,1180 4.766,1181 2.009,1182 12.608,1183 3.204,1184 1.978,1185 1.981,1186 2.068,1187 2.069,1188 1.247,1189 2.077,1190 1.956,1191 1.934,1192 2.001,1193 2.041,1194 1.195,1195 2.062,1196 1.894,1197 1.874,1198 1.985,1199 1.982,1200 1.134,1201 1.985,1202 1.676,1203 1.637,1204 1.887,1205 1.887,1206 1.026,1207 1.883,1208 1.547,1209 1.551,1210 1.625,1211 1.755,1212 0.836,1213 1.757,1214 1.393,1215 1.34,1216 1.564,1217 1.613,1218 0.759,1219 1.629,1220 1.241,1221 1.17,1222 1.534,1223 1.515,1224 0.588,1225 1.529,1226 1.167,1227 1.084,1228 1.463,1229 1.46,1230 0.557,1231 1.473,1232 4.419,1233 5.79,1234 2.398,1235 7.34,1236 4.844,1237 8.969,1238 7.05,1239 10.639,1241 5.856,1243 14.089,1246 9.837,1247 0.514,1248 5.182,1249 5.479,1253 -1.487,1257 43.078,1258 117.555,1259 263.235,1260 327.434,1261 364.654,1262 371.408,1263 373.408,1264 118.265,1265 8.254,1266 122.55,1267 130.93,1268 23,1269 12.98,1270 4.7,1271 3.907,1272 67.441,1273 183,1274 188,1275 0.177,1276 267.476,1277 466.11,1278 644.402,1279 47173,1280 1.5,1281 27.665,1282 0.728,1283 0.586,1284 27.044,1285 22.265,1286 17.885,1287 0.436,1288 0.324,1289 11.73,1290 16.34,1291 11.179,1292 9.331,1293 18.296,1294 13.281,1295 17.732,1296 0.291,1297 0.182,1298 18.525,1299 11.121,1300 13.936,1301 0.181,1302 0.095,1303 14.445,1304 7.313,1305 10.647,1306 0.11,1307 0.051,1308 11.437,1309 4.917,1310 8.781,1311 0.07,1312 0.028,1313 9.413,1314 3.561,1315 0.278,1316 121.399,1317 0.196,1318 34.347,1319 0.482,1320 204,1321 702.019,1322 264.845,1323 668.18,1324 888.81,1325 614,1326 240,1327 616.505,1328 310.273,1329 656.071,1330 954.08,1331 610,1332 7.8}
{0 CHEMBL2326927,1 1.89,2 12.194,3 4.135,4 17.1,5 125.442,6 9.501,7 0.618,8 4.033,9 4.121,10 3.961,11 3.695,12 5.155,13 3.637,14 4.55,15 4.675,16 4.388,17 4.094,18 5.901,19 4.009,20 4.756,21 4.913,22 4.316,23 4.13,24 5.951,25 4.044,26 4.803,27 4.994,28 4.268,29 4.087,30 6.006,31 4.006,32 4.768,33 4.958,34 4.296,35 4.079,36 6.048,37 4.008,38 4.755,39 4.939,40 4.206,41 4.129,42 5.93,43 4.036,44 4.768,45 4.948,46 4.183,47 4.126,48 5.962,49 4.024,50 4.692,51 4.867,52 4.08,53 4.067,54 5.828,55 3.922,56 0.146,57 0.768,58 8.965,59 4.769,60 17.833,61 4.852,62 0.447,63 1.232,64 22.184,65 8.693,66 52.995,67 8.791,68 0.506,69 1.468,70 27.429,71 10.455,72 58.802,73 10.535,74 0.588,75 1.519,76 31.113,77 10.545,78 68.776,79 11.315,80 0.691,81 1.44,82 27.318,83 9.943,84 70.523,85 11.051,86 0.489,87 1.436,88 29.558,89 10.987,90 58.31,91 11.809,92 0.569,93 1.404,94 26.206,95 10.731,96 75.535,97 11.436,98 0.447,99 1.305,100 28.057,101 11.18,102 47.751,103 12.018,104 29,105 49,106 0.312,107 0.621,108 0.745,109 0.868,110 0.89,111 0.897,112 3.472,113 1.064,114 -4.47,115 -4.4,116 -4.15,119 42,120 1,125 2,138 10,139 3,143 1,148 1,149 2,151 1,159 1,163 11,165 1,166 5,169 4,171 3,172 14,176 11,179 1,181 5,183 6,186 2,187 12,192 5,194 3,197 2,198 11,203 4,205 10,209 10,212 1,214 2,217 14,221 7,224 1,226 2,227 15,230 1,231 6,236 3,238 11,241 1,242 5,246 1,247 2,249 9,252 1702,253 20.488,254 20.488,255 20.488,256 20.488,257 20.488,258 17.499,259 23.085,260 12.025,261 21.14,262 16.831,263 16.831,264 16.831,265 16.831,266 16.831,267 12.236,268 31.204,269 5.783,270 18.013,271 3.754,272 1.882,273 1.135,274 0.39,275 0.255,276 0.215,277 4.163,280 1,282 1,283 1,284 808,285 4.123,287 153.243,288 184.2,291 130.198,295 1.89,296 38.737,299 1,300 0.83,301 1,302 0.6,304 1,305 1,306 0.78,307 67.333,308 378,309 4.876,310 4.689,311 7.319,312 4.329,313 3.421,314 4.744,315 1.909,316 12.574,317 3.143,318 4.615,319 3.52,320 6.744,321 4.109,322 3.158,323 4.566,324 0.561,325 11.03,326 2.95,327 4.075,328 3.266,329 5.699,330 3.692,331 2.698,332 3.675,333 0.522,334 7.916,335 2.681,336 3.859,337 2.902,338 5.502,339 3.285,340 2.419,341 3.424,343 7.078,344 2.255,345 3.585,346 2.875,347 5.258,348 3.237,349 2.282,350 2.877,352 6.579,353 2.083,354 3.481,355 2.492,356 5.038,357 3.088,358 2.101,359 2.727,361 5.926,362 1.979,363 3.343,364 2.146,365 4.793,366 2.889,367 1.931,368 2.67,370 5.178,371 1.824,372 3.208,373 1.887,374 4.585,375 2.769,376 1.783,377 2.47,379 4.914,380 1.752,381 2.796,382 1.613,383 4.439,384 2.246,385 1.355,386 1.885,388 3.877,389 1.235,390 2.705,391 1.348,392 3.689,393 2.217,394 1.239,395 1.794,397 2.809,398 1.179,399 2.658,400 1.219,401 3.59,402 2.15,403 1.178,404 1.729,406 2.679,407 1.062,408 2.363,409 1.057,410 3.492,411 1.909,412 0.932,413 1.303,415 2.377,416 0.903,417 2.179,418 1.013,419 3.279,420 1.558,421 0.684,422 1.017,424 1.668,425 0.577,426 1.778,427 0.793,428 3.093,429 1.516,430 0.547,431 0.632,433 1.218,434 0.526,435 1.234,436 0.35,437 2.952,438 0.924,439 -0.045,440 -0.056,442 -0.13,443 -0.044,444 15.481,445 0.499,446 0.943,447 0.03,448 42.5,449 1.371,450 23,451 0.742,452 19.5,453 0.629,454 25.711,455 0.829,456 32.519,457 0.65,458 33.468,459 1.08,460 8.232,461 0.266,462 6.583,463 0.212,464 0.143,465 0.054,466 0.284,472 0.53,473 1.138,474 0.684,475 0.99,476 0.619,477 0.818,478 0.561,479 1.065,480 0.61,481 0.807,482 0.518,483 0.858,484 1.071,485 1.24,486 0.978,487 1.118,488 1.068,489 1.064,490 1.007,491 1.15,492 0.75,493 0.89,494 0.929,495 0.952,496 0.792,497 0.949,498 0.69,499 0.814,500 0.774,501 0.85,502 0.965,503 0.922,504 0.883,505 0.915,506 0.911,507 0.881,508 1.093,509 0.863,510 0.823,511 0.826,512 1.166,513 0.941,514 0.819,515 1.149,516 1.096,517 1.2,518 0.842,519 1.213,520 8,521 0.258,522 3.556,523 2.639,524 1.654,525 1.233,526 0.729,527 0.53,528 0.406,529 0.235,530 12756,531 44063,532 2.057,533 38,535 14,538 2,539 3,542 1.739,543 1.908,544 3.568,545 0.289,547 1,550 94.489,551 1.89,552 3.762,553 4.509,554 5.254,555 5.389,556 5.429,557 3.076,558 4.696,559 4.921,560 3.73,561 1734.4,562 8.613,563 24685.1,568 282.193,569 1.595,570 4.87,571 0.235,572 0.01,573 0.073,574 0.057,575 0.037,576 0.027,577 0.016,578 0.012,579 0.011,580 0.008,581 0.485,582 0.17,583 0.88,584 1.064,585 161.109,586 0.074,587 -0.012,588 0.115,589 -0.022,590 -0.124,591 0.039,592 0.245,593 0.02,594 0.203,595 0.123,596 0.217,597 0.021,598 -0.117,599 -0.199,600 -0.066,601 -0.151,602 -0.126,603 -0.138,604 -0.049,605 -0.118,606 0.053,607 -0.012,608 -0.013,609 -0.023,610 0.158,611 0.065,612 0.133,613 0.055,614 0.122,615 0.088,616 -0.094,617 0.079,618 -0.016,619 0.046,620 -0.035,621 0.093,622 -0.137,623 0.107,624 -0.022,625 0.083,626 -0.141,627 0.015,628 -0.016,629 -0.182,630 -0.132,631 -0.176,632 -0.044,633 -0.204,634 4.714,635 5.755,636 0.645,637 32.164,638 1.019,639 1.115,640 3.243,641 10.514,642 0.733,643 3.555,644 3.912,645 4.143,646 4.431,647 4.635,648 4.727,649 4.875,650 5.024,651 5.13,652 5.204,653 7.114,654 0.693,655 475.03,656 3.555,657 5.118,658 5.964,659 6.86,660 7.731,661 8.632,662 9.515,663 10.42,664 11.311,665 12.218,666 8,671 1,673 1,674 1,676 1,680 2,681 10,682 1,685 1,686 5,687 1,688 21,702 1,703 50,705 24,706 2,707 34,709 53,710 21,711 17,712 4,713 8,717 4,718 5,719 1,721 1,729 18,730 3,733 3,736 1,737 3,741 1,747 19,748 6,749 2,750 10,751 3,755 4,760 0.75,761 3,769 1,775 2,776 2,779 1,783 1,796 3,799 2,801 1,802 1,805 31,808 1,810 2,811 2,820 1,824 1,825 6,828 3,832 16.25,833 9.21,834 6.625,835 2.748,836 3.771,837 1.484,838 1.019,839 6.439,840 11.558,841 3.882,842 4.554,843 5.094,844 5.71,845 6.185,846 6.502,847 6.9,848 7.339,849 7.655,850 8.007,851 1,852 46,853 11.715,854 5.31,855 7.958,856 21.567,857 17.949,859 2.458,860 76.194,864 200.109,865 164.678,866 52.855,867 39.149,868 69.458,870 37.085,871 127.593,872 308.715,873 52.855,874 8.825,875 22.222,876 100.57,877 107.231,878 12.394,879 43.621,880 231.386,882 200.109,883 180.449,884 69.458,885 76.234,887 200.109,888 69.458,891 34.497,892 112.883,893 38.875,894 70.426,895 200.109,896 122.313,897 203.827,899 5.807,900 200.109,901 55.283,902 105.364,903 34.416,904 125.27,905 200.109,906 122.313,907 203.827,909 0.59,910 0.325,911 0.174,912 0.099,913 24,914 11,915 0.132,916 7,917 1,918 1.1,919 4.177,920 282.04,921 0.1,922 20,923 151.58,924 1,927 1,928 21.965,929 9.087,930 5.155,931 1.5,932 120.537,933 18.256,934 4.534,937 0.987,938 2.737,939 1.756,940 34.416,941 526.249,942 47.5,945 -3.798,946 36.682,950 -0.09,952 50.934,953 55.727,954 0.335,955 0.667,956 0.799,957 0.931,958 0.955,959 0.962,960 5.125,961 1.783,962 5.989,963 5.178,964 4.595,965 5.242,966 2.096,967 6.841,968 4.477,969 6.383,970 1.355,971 7.577,972 4.914,973 4.369,974 5.33,975 1.593,976 8.003,977 4.156,978 7.739,979 1.239,980 9.277,981 3.877,982 6.267,983 7.591,984 2.929,985 11.056,986 6.026,987 9.136,988 1.178,989 11.047,990 2.809,991 6.847,992 8.505,993 3.032,994 13.076,995 6.494,996 10.569,997 0.932,998 12.866,999 2.679,1000 8.277,1001 10.293,1002 4.047,1003 15.73,1004 7.89,1005 12.029,1006 0.684,1007 14.72,1008 2.377,1009 9.211,1010 11.566,1011 4.414,1012 18.065,1013 8.712,1014 13.51,1015 0.547,1016 16.601,1017 1.668,1018 10.481,1019 13.19,1020 5.259,1021 20.611,1022 9.931,1023 3.421,1024 -0.045,1025 18.502,1026 1.218,1027 11.57,1028 14.617,1029 5.757,1030 23.057,1031 10.915,1032 3.158,1033 12.574,1034 20.42,1035 -0.13,1036 12.788,1037 16.184,1038 6.511,1039 25.575,1040 12.066,1041 2.698,1042 11.03,1043 22.35,1044 4.744,1045 13.945,1046 17.676,1047 7.078,1048 28.062,1049 13.124,1050 2.419,1051 7.916,1052 24.291,1053 4.566,1054 15.15,1055 19.223,1056 7.782,1057 30.575,1058 14.252,1059 2.282,1060 7.078,1061 26.239,1062 3.675,1063 16.335,1064 20.743,1065 8.386,1066 33.079,1067 15.344,1068 2.101,1069 6.579,1070 28.193,1071 3.424,1072 17.54,1073 22.286,1074 9.064,1075 35.593,1076 16.465,1077 1.931,1078 5.926,1079 30.152,1080 2.877,1081 18.74,1082 23.818,1083 9.687,1084 38.106,1085 17.574,1086 12309,1087 23162,1088 22.364,1089 36.631,1090 51.923,1091 53.03,1092 52.471,1093 51.554,1094 51.455,1095 71.028,1096 5.984,1097 151.645,1098 48.298,1099 5.724,1100 6.689,1101 6.997,1102 5.5,1103 5.421,1104 7.744,1105 3.31,1106 20.139,1107 5.143,1108 16.758,1109 1.527,1110 1.56,1111 1.543,1112 1.516,1113 1.513,1114 2.089,1115 0.176,1116 4.46,1117 1.421,1118 4.165,1119 4.192,1120 4.793,1121 4.131,1122 7.717,1123 4.061,1124 3.998,1125 3.969,1126 4.167,1127 3.986,1128 7.43,1129 3.927,1130 3.913,1131 3.939,1132 4.068,1133 3.856,1134 6.999,1135 3.85,1136 3.593,1137 3.645,1138 3.849,1139 3.528,1140 5.024,1141 3.422,1142 3.557,1143 3.546,1144 3.497,1145 3.361,1146 4.885,1147 3.383,1148 3.387,1149 3.439,1150 3.309,1151 3.21,1152 4.716,1153 3.216,1154 3.147,1155 3.217,1156 3.167,1157 3.006,1158 4.39,1159 2.995,1160 3.032,1161 3.086,1162 3.021,1163 2.899,1164 4.143,1165 2.885,1166 0.143,1167 0.138,1168 0.215,1169 0.127,1170 0.101,1171 4.876,1172 0.14,1173 4.689,1174 0.056,1175 7.319,1176 0.37,1177 4.329,1178 0.092,1179 3.421,1180 4.744,1181 1.909,1182 12.574,1183 3.143,1184 1.968,1185 1.942,1186 2.072,1187 2.066,1188 1.245,1189 2.069,1190 1.908,1191 1.889,1192 2.006,1193 1.988,1194 1.143,1195 2.003,1196 1.73,1197 1.778,1198 1.748,1199 1.847,1200 0.945,1201 1.885,1202 1.518,1203 1.461,1204 1.618,1205 1.764,1206 0.85,1207 1.763,1208 1.42,1209 1.405,1210 1.581,1211 1.618,1212 0.703,1213 1.612,1214 1.368,1215 1.317,1216 1.436,1217 1.475,1218 0.606,1219 1.514,1220 1.156,1221 1.109,1222 1.338,1223 1.363,1224 0.548,1225 1.396,1226 1.089,1227 1.027,1228 1.129,1229 1.223,1230 0.375,1231 1.257,1232 4.234,1233 5.58,1234 3.045,1235 7.098,1236 5.416,1237 8.697,1238 7.526,1239 10.344,1241 1.479,1242 5.895,1247 0.887,1248 5.369,1257 34.646,1258 94.489,1259 188.103,1260 225.464,1261 262.683,1262 269.438,1263 271.438,1264 66.02,1265 7.787,1266 93.09,1267 129.71,1268 22,1269 12.739,1270 4.644,1271 3.858,1272 49.332,1273 130,1274 144,1275 0.184,1276 223.123,1277 375.02,1278 536.179,1279 26316,1280 2,1281 22.01,1282 0.71,1283 0.609,1284 23.113,1285 18.89,1286 14.815,1287 0.436,1288 0.355,1289 9.492,1290 13.004,1291 9.016,1292 7.468,1293 16.333,1294 12.054,1295 14.281,1296 0.291,1297 0.215,1298 16.856,1299 10.541,1300 10.959,1301 0.177,1302 0.123,1303 13.35,1304 7.63,1305 9.238,1306 0.111,1307 0.068,1308 11.445,1309 5.681,1310 7.462,1311 0.073,1312 0.041,1313 9.867,1314 4.159,1315 0.288,1316 107.752,1317 0.211,1318 29.095,1319 0.504,1320 166,1321 529.087,1322 270.609,1323 584.945,1324 779.77,1325 538,1326 194,1327 506.202,1328 286.995,1329 574.443,1330 837.83,1331 537,1332 6.6}
{0 CHEMBL232839,1 1.546,2 13.034,3 4.93,4 24.308,5 122.287,6 7.639,7 0.516,8 4.116,9 4.256,10 3.704,11 3.631,12 5.12,13 3.586,14 4.681,15 4.899,16 4.073,17 4.017,18 5.63,19 3.941,20 4.918,21 5.163,22 4.134,23 4.165,24 5.806,25 4.048,26 4.999,27 5.262,28 4.136,29 4.177,30 5.866,31 4.025,32 4.996,33 5.291,34 3.929,35 4.109,36 5.783,37 3.956,38 4.928,39 5.208,40 4.003,41 4.066,42 5.788,43 3.933,44 4.802,45 5.063,46 3.93,47 4.008,48 5.682,49 3.883,50 4.818,51 5.087,52 3.894,53 3.94,54 5.732,55 3.788,56 0.02,57 0.854,58 12.09,59 4.84,60 8.393,61 7.048,62 0.299,63 1.321,64 25.129,65 8.171,66 25.168,67 12.016,68 0.342,69 1.509,70 36.507,71 10.736,72 34.553,73 15.744,74 0.484,75 1.555,76 45.246,77 12.023,78 45.333,79 17.562,80 0.387,81 1.529,82 38.618,83 11.641,84 39.401,85 17.505,86 0.469,87 1.423,88 39.154,89 10.362,90 45.164,91 15.804,92 0.31,93 1.341,94 30.138,95 9.225,96 31.969,97 13.833,98 0.439,99 1.251,100 35.052,101 9.194,102 45.375,103 14.065,104 36,105 42,106 0.255,107 0.572,108 0.774,109 0.845,110 0.845,111 0.845,112 3.407,113 1.051,114 -5.82,115 -5.68,116 -5.29,119 36.8,120 3,121 2,125 4,127 1,138 3,139 1,140 2,141 1,142 1,146 1,153 1,154 1,163 3,165 3,166 4,169 2,171 2,172 8,175 2,176 2,181 1,183 4,186 1,187 9,190 1,194 6,198 5,201 2,205 2,209 10,214 1,220 2,221 4,226 3,227 2,231 6,236 3,238 2,241 1,242 4,249 3,252 1485,253 19.549,254 19.549,255 19.549,256 19.549,257 19.549,258 17.591,259 27.823,260 11.518,261 20.323,262 15.164,263 15.164,264 15.164,265 15.164,266 15.164,267 12.241,268 40.407,269 5.332,270 16.46,271 4.287,272 2.364,273 1.137,274 0.706,275 0.706,276 0.706,277 4.088,279 2,282 1,283 1,284 788,285 4.062,287 72.791,288 181.592,291 130.116,295 2.176,296 21.096,299 0.75,300 0.67,301 0.83,302 1,303 1,304 1,305 1,306 0.89,307 61.667,308 378,309 4.561,310 3.31,311 6.561,312 4.047,313 3.116,314 4.508,315 0.8,316 10.425,317 2.899,318 4.222,319 3.104,320 6.061,321 3.764,322 2.833,323 3.878,324 0.522,325 8.733,326 2.611,327 3.765,328 2.794,329 5.457,330 3.478,331 2.543,332 3.151,333 0.4,334 7.293,335 2.382,336 3.495,337 2.758,338 5.271,339 3.346,340 2.431,341 2.816,343 6.646,344 2.224,345 3.449,346 2.679,347 5.137,348 3.075,349 2.168,350 2.6,352 6.156,353 1.947,354 3.291,355 2.235,356 4.918,357 2.94,358 2.022,359 2.456,361 5.549,362 1.819,363 3.155,364 2.032,365 4.786,366 2.754,367 1.842,368 2.209,370 5.372,371 1.631,372 2.838,373 1.736,374 4.219,375 2.345,376 1.431,377 1.971,379 3.756,380 1.237,381 2.694,382 1.276,383 4.042,384 2.163,385 1.235,386 1.782,388 3.309,389 1.144,390 2.216,391 1.197,392 3.393,393 2.09,394 1.124,395 1.167,397 2.374,398 1.081,399 2.114,400 0.875,401 3.274,402 1.67,403 0.757,404 1.033,406 1.785,407 0.686,408 1.618,409 0.744,410 2.968,411 1.591,412 0.618,413 0.618,415 0.791,416 0.6,417 1.577,418 0.641,419 2.799,420 1.197,421 0.303,422 0.371,424 0.727,425 0.246,426 1.224,427 0.294,428 2.618,429 1.098,430 0.145,431 0.15,433 0.26,434 0.135,435 1.029,436 0.256,437 2.359,438 0.757,439 -0.163,440 -0.188,442 -0.365,443 -0.146,444 14.329,445 0.494,446 0.677,447 0.023,448 34,449 1.172,450 14.5,451 0.5,452 19.5,453 0.672,454 29.294,455 1.01,456 32.471,457 0.57,458 23.005,459 0.793,460 6.237,461 0.215,462 7.758,463 0.268,464 0.204,466 0.3,472 0.779,473 1.685,474 0.637,475 1.122,476 0.692,477 1.044,478 0.861,479 1.048,480 0.672,481 0.822,482 0.568,483 0.863,484 1.051,485 1.083,486 0.894,487 0.925,488 0.852,489 0.94,490 0.882,491 1.058,492 0.879,493 1.016,494 0.886,495 1.026,496 0.765,497 0.904,498 0.631,499 0.777,500 0.737,501 0.825,502 0.899,503 0.948,504 0.793,505 0.848,506 0.864,507 0.841,508 0.931,509 1.027,510 0.709,511 0.846,512 0.789,513 0.92,514 0.887,515 1.138,516 0.891,517 1.067,518 0.922,519 1.061,520 6.5,521 0.178,522 3.111,523 1.917,524 1.302,525 0.764,526 0.68,527 0.433,528 0.284,529 0.216,530 11146,531 28885,532 2.013,533 49.1,535 12,537 2,538 1,540 13,542 1.717,543 1.871,544 3.646,545 -0.302,550 88.12,551 1.546,552 3.469,553 4.696,554 5.126,555 5.126,556 5.126,557 3.112,558 4.72,559 4.824,560 3.845,561 1561.17,562 8.391,563 22168.4,565 1,568 332.475,569 1.453,570 4.78,571 0.21,572 0.008,573 0.074,574 0.046,575 0.035,576 0.022,577 0.019,578 0.013,579 0.01,580 0.009,581 0.445,582 0.33,583 0.88,584 1.876,585 150.279,586 -0.014,587 -0.375,588 0.027,589 -0.123,590 -0.014,591 -0.049,592 0.101,593 0.121,594 0.083,595 0.105,596 0.204,597 0.081,598 -0.054,599 -0.029,600 0.01,601 0.033,602 0.053,603 0.024,604 0.076,605 -0.066,606 0.048,607 -0.052,608 0.058,609 -0.053,610 0.036,611 0.05,612 0.109,613 0.133,614 0.05,615 0.131,616 0.064,617 0.025,618 0.088,619 0.083,620 0.081,621 0.115,622 -0.034,623 0.025,624 0.046,625 0.066,626 0.053,627 0.025,628 0.112,629 -0.151,630 0.021,631 -0.13,632 0.075,633 -0.107,634 1.045,635 2.212,636 0.517,637 33.843,638 0.998,639 1.138,640 4.587,641 21.044,642 0.665,643 3.466,644 3.761,645 3.989,646 4.205,647 4.382,648 4.466,649 4.605,650 4.736,651 4.754,652 4.852,653 7.618,654 0.616,655 435.45,656 3.466,657 4.99,658 5.82,659 6.681,660 7.53,661 8.398,662 9.258,663 10.132,664 11,665 11.879,666 10.5,669 1,671 1,674 1,676 3,680 2,681 5,682 3,686 4,687 1,688 16,697 1,702 2,703 57,705 16,706 1,707 31,709 59,710 21,711 11,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 11,730 10,747 28,748 5,749 1,750 8,751 2,753 1,755 6,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 3,802 2,805 29,810 6,811 1,814 1,815 1,824 2,832 15.5,833 11.036,834 6.583,835 3.845,836 3.126,837 1.419,838 0.955,839 7.987,840 10.593,841 3.689,842 4.273,843 4.835,844 5.416,845 5.933,846 6.232,847 6.644,848 7.086,849 7.26,850 7.629,851 0.889,852 42,853 10.692,854 4.348,855 7.571,856 20.835,857 16.643,859 2.071,860 60.056,863 1,864 317.82,865 102.008,866 73.391,867 78.297,871 102.008,872 396.117,873 73.391,874 26.476,875 13.492,876 28.429,877 102.243,878 26.402,879 1.899,880 294.278,881 78.297,882 317.82,883 175.398,885 78.297,887 164.795,888 153.024,891 68.415,892 38.616,893 146.665,895 317.82,896 73.391,897 180.305,900 317.82,901 29.437,902 77.594,903 18.011,904 128.654,905 317.82,906 73.391,907 180.305,909 0.573,910 0.332,911 0.168,912 0.084,913 18,914 9,915 0.169,916 10,917 1,918 1.133,919 4.1,920 238.603,921 0.133,922 15,923 136.881,928 22.134,929 10.465,930 5.969,931 1.54,932 71.492,933 9.035,934 13.518,938 2.844,939 1.975,940 18.011,941 571.515,942 39,952 56.861,953 64.86,954 0.265,955 0.595,956 0.805,957 0.879,958 0.879,959 0.879,960 4.913,961 1.431,962 5.796,963 5.372,964 4.443,965 4.959,966 1.038,967 6.567,968 4.281,969 6.105,970 1.235,971 7.334,972 3.756,973 4.007,974 4.796,975 0.325,976 7.391,977 3.703,978 7.402,979 1.124,980 8.966,981 3.309,982 6.004,983 7.168,984 0.507,985 10.446,986 5.697,987 8.737,988 0.757,989 10.652,990 2.374,991 6.365,992 7.857,993 0.268,994 12.095,995 5.927,996 10.103,997 0.618,998 12.374,999 1.785,1000 7.828,1001 9.718,1002 0.277,1003 14.675,1004 7.377,1005 11.495,1006 0.303,1007 14.122,1008 0.791,1009 8.566,1010 10.82,1011 0.188,1012 16.697,1013 8,1014 12.905,1015 0.145,1016 15.89,1017 0.727,1018 9.813,1019 12.469,1020 0.167,1021 19.112,1022 9.216,1023 3.116,1024 -0.163,1025 17.673,1026 0.26,1027 10.739,1028 13.775,1029 0.125,1030 21.305,1031 10.042,1032 2.833,1033 10.425,1034 19.47,1035 -0.365,1036 11.897,1037 15.332,1038 0.105,1039 23.662,1040 11.155,1041 2.543,1042 8.733,1043 21.278,1044 4.508,1045 12.918,1046 16.737,1047 0.082,1048 25.932,1049 12.086,1050 2.431,1051 7.293,1052 23.095,1053 3.878,1054 14.042,1055 18.256,1056 0.067,1057 28.271,1058 13.154,1059 2.168,1060 6.646,1061 24.921,1062 3.151,1063 15.11,1064 19.707,1065 0.054,1066 30.577,1067 14.141,1068 2.022,1069 6.156,1070 26.754,1071 2.816,1072 16.225,1073 21.212,1074 0.043,1075 32.912,1076 15.193,1077 1.842,1078 5.549,1079 28.593,1080 2.6,1081 17.318,1082 22.687,1083 0.035,1084 35.235,1085 16.208,1086 11051,1087 18226,1088 20.285,1089 37.887,1090 45.278,1091 45.86,1092 47.32,1093 45.465,1094 45.133,1095 57.419,1096 3.443,1097 126.353,1098 41.284,1099 5.495,1100 5.31,1101 6.179,1102 5.121,1103 5.116,1104 7.508,1105 1.322,1106 17.217,1107 4.899,1108 16.409,1109 1.461,1110 1.479,1111 1.526,1112 1.467,1113 1.456,1114 1.852,1115 0.111,1116 4.076,1117 1.332,1118 4.104,1119 4.158,1120 4.13,1121 3.947,1122 5.159,1123 3.966,1124 3.882,1125 3.903,1126 4.013,1127 3.806,1128 5.005,1129 3.812,1130 3.805,1131 3.879,1132 3.668,1133 3.638,1134 4.631,1135 3.634,1136 3.633,1137 3.714,1138 3.593,1139 3.442,1140 4.564,1141 3.44,1142 3.37,1143 3.449,1144 3.496,1145 3.167,1146 4.333,1147 3.179,1148 3.306,1149 3.407,1150 3.284,1151 3.123,1152 4.171,1153 3.089,1154 3.234,1155 3.323,1156 3.106,1157 3.064,1158 4.106,1159 3.042,1160 3.035,1161 3.102,1162 3.04,1163 2.871,1164 3.979,1165 2.874,1166 0.147,1167 0.107,1168 0.212,1169 0.131,1170 0.101,1171 4.561,1172 0.145,1173 3.31,1174 0.026,1175 6.561,1176 0.336,1177 4.047,1178 0.094,1179 3.116,1180 4.508,1181 0.8,1182 10.425,1183 2.899,1184 1.917,1185 1.895,1186 2.02,1187 2.049,1188 1.339,1189 2.034,1190 1.811,1191 1.757,1192 1.983,1193 1.978,1194 1.184,1195 1.993,1196 1.738,1197 1.678,1198 1.9,1199 1.924,1200 1.123,1201 1.92,1202 1.602,1203 1.526,1204 1.79,1205 1.8,1206 0.889,1207 1.819,1208 1.43,1209 1.362,1210 1.725,1211 1.668,1212 0.869,1213 1.649,1214 1.351,1215 1.256,1216 1.637,1217 1.584,1218 0.837,1219 1.638,1220 1.29,1221 1.201,1222 1.573,1223 1.521,1224 0.659,1225 1.565,1226 0.978,1227 0.918,1228 1.266,1229 1.222,1230 0.437,1231 1.229,1232 4.143,1233 5.442,1234 2.398,1235 6.925,1236 4.727,1237 8.493,1238 6.823,1239 10.109,1241 6.573,1242 12.32,1247 6.095,1248 3.418,1251 0.296,1252 2.44,1257 35.105,1258 88.12,1259 197.738,1260 267.681,1261 292.21,1262 292.21,1263 292.21,1264 49.607,1265 7.467,1266 58.87,1267 58.87,1268 17,1269 12.418,1270 4.087,1271 3.17,1272 52.684,1273 131,1274 134,1275 0.194,1276 226.969,1277 380.02,1278 545.565,1279 18530,1280 3.5,1281 20.803,1282 0.717,1283 0.645,1284 21.803,1285 18.711,1286 13.995,1287 0.451,1288 0.35,1289 10.041,1290 12.923,1291 9.657,1292 8.068,1293 14.572,1294 10.86,1295 12.286,1296 0.293,1297 0.192,1298 13.065,1299 8.069,1300 10.085,1301 0.19,1302 0.107,1303 10.701,1304 5.682,1305 8.05,1306 0.122,1307 0.058,1308 8.73,1309 3.796,1310 5.989,1311 0.076,1312 0.028,1313 6.386,1314 2.235,1315 0.312,1316 93.231,1317 0.222,1318 28.061,1319 0.511,1320 146,1321 392.965,1322 189.361,1323 445.288,1324 595.54,1325 416,1326 168,1327 399.725,1328 202.874,1329 424.865,1330 620.75,1331 399,1332 6.086}
{0 CHEMBL232840,1 1.546,2 13.724,3 5.066,4 25.669,5 120.844,6 7.639,7 0.516,8 4.116,9 4.256,10 3.704,11 3.631,12 5.12,13 3.586,14 4.681,15 4.899,16 4.073,17 4.017,18 5.634,19 3.941,20 4.917,21 5.161,22 4.131,23 4.171,24 5.792,25 4.052,26 5.005,27 5.266,28 4.139,29 4.181,30 5.884,31 4.028,32 5.003,33 5.305,34 3.904,35 4.1,36 5.786,37 3.944,38 4.887,39 5.162,40 3.974,41 4.044,42 5.75,43 3.907,44 4.777,45 5.044,46 3.894,47 3.927,48 5.71,49 3.804,50 4.705,51 4.987,52 3.728,53 3.811,54 5.558,55 3.661,56 0.02,57 0.854,58 12.09,59 4.84,60 8.393,61 7.048,62 0.299,63 1.321,64 25.129,65 8.171,66 26.168,67 12.016,68 0.342,69 1.507,70 36.446,71 10.835,72 31.63,73 15.837,74 0.467,75 1.565,76 45.324,77 12.187,78 47.084,79 17.775,80 0.429,81 1.52,82 39.342,83 11.552,84 41.985,85 17.45,86 0.375,87 1.371,88 37.225,89 10.388,90 39.668,91 15.586,92 0.425,93 1.273,94 31.468,95 8.368,96 42.649,97 12.898,98 0.315,99 1.12,100 29.989,101 8.084,102 32.955,103 12.365,104 36,105 42,106 0.255,107 0.572,108 0.774,109 0.845,110 0.845,111 0.845,112 3.407,113 1.051,114 -5.82,115 -5.68,116 -5.29,119 36.8,120 3,121 2,125 4,127 1,138 3,139 1,140 2,141 1,145 1,146 1,148 1,153 1,163 3,165 3,166 4,169 2,171 2,172 8,175 2,176 2,181 1,183 4,186 1,187 8,190 1,194 6,198 6,201 2,205 2,209 8,220 2,221 9,226 3,227 2,231 2,236 1,241 1,242 6,247 3,249 2,252 1422,253 19.549,254 19.549,255 19.549,256 19.549,257 19.549,258 17.591,259 27.823,260 11.516,261 20.327,262 15.164,263 15.164,264 15.164,265 15.164,266 15.164,267 12.241,268 40.407,269 5.327,270 16.464,271 4.287,272 2.364,273 1.137,274 0.706,275 0.706,276 0.706,277 4.088,279 2,282 1,283 1,284 830,285 4.062,287 72.791,288 182.79,291 130.116,295 2.492,296 20.895,299 0.75,300 0.67,301 0.83,302 1,303 1,304 1,305 1,306 0.89,307 61.667,308 398,309 4.558,310 3.309,311 6.555,312 4.046,313 3.111,314 4.505,315 0.8,316 10.393,317 2.905,318 4.223,319 3.1,320 6.061,321 3.765,322 2.834,323 3.878,324 0.522,325 8.737,326 2.611,327 3.798,328 2.797,329 5.511,330 3.488,331 2.556,332 3.208,333 0.4,334 7.432,335 2.388,336 3.479,337 2.763,338 5.273,339 3.351,340 2.435,341 2.783,343 6.649,344 2.227,345 3.447,346 2.687,347 5.105,348 3.083,349 2.17,350 2.485,352 6.12,353 1.97,354 3.249,355 2.247,356 4.925,357 2.943,358 2.037,359 2.446,361 5.64,362 1.778,363 3.111,364 2,365 4.715,366 2.633,367 1.732,368 2.231,370 5.031,371 1.535,372 2.876,373 1.669,374 4.252,375 2.38,376 1.462,377 2.013,379 3.862,380 1.309,381 2.774,382 1.411,383 4.072,384 2.278,385 1.34,386 1.887,388 3.489,389 1.214,390 2.167,391 1.2,392 3.384,393 2.097,394 1.121,395 1.144,397 2.359,398 1.091,399 2.111,400 0.823,401 3.256,402 1.594,403 0.686,404 0.973,406 1.635,407 0.618,408 1.618,409 0.744,410 2.988,411 1.591,412 0.618,413 0.618,415 0.791,416 0.6,417 1.578,418 0.611,419 2.79,420 1.207,421 0.311,422 0.378,424 0.748,425 0.254,426 1.217,427 0.301,428 2.618,429 1.097,430 0.145,431 0.151,433 0.262,434 0.135,435 1.008,436 0.256,437 2.359,438 0.751,439 -0.173,440 -0.196,442 -0.391,443 -0.155,444 14.329,445 0.494,446 0.677,447 0.023,448 34,449 1.172,450 14.5,451 0.5,452 19.5,453 0.672,454 29,455 1,456 32.471,457 0.57,458 22.894,459 0.789,460 6.236,461 0.215,462 7.759,463 0.268,464 0.204,466 0.3,472 0.779,473 1.685,474 0.637,475 1.122,476 0.692,477 1.044,478 0.861,479 1.048,480 0.672,481 0.822,482 0.551,483 0.863,484 1.037,485 1.057,486 0.894,487 0.92,488 0.849,489 0.938,490 0.848,491 1.107,492 0.875,493 1.051,494 0.862,495 1.05,496 0.82,497 0.812,498 0.637,499 0.717,500 0.829,501 0.786,502 0.856,503 1.041,504 0.799,505 0.907,506 0.841,507 0.883,508 1.007,509 1.02,510 0.802,511 0.891,512 0.944,513 0.943,514 1.029,515 1.077,516 0.804,517 0.893,518 0.944,519 0.936,520 6.5,521 0.19,522 3.111,523 2.042,524 1.222,525 0.875,526 0.612,527 0.426,528 0.296,529 0.16,530 11586,531 29847,532 2.013,533 49.1,535 12,537 2,538 1,540 13,542 1.714,543 1.871,544 3.71,545 -0.302,550 88.12,551 1.546,552 3.469,553 4.696,554 5.126,555 5.126,556 5.126,557 3.296,558 4.582,559 4.822,560 3.923,561 1592.72,562 8.371,563 22946,565 1,568 332.475,569 1.453,570 4.78,571 0.21,572 0.009,573 0.074,574 0.049,575 0.033,576 0.026,577 0.017,578 0.014,579 0.012,580 0.007,581 0.45,582 0.33,583 0.88,584 1.876,585 151.31,586 -0.014,587 -0.375,588 0.027,589 -0.123,590 -0.014,591 -0.049,592 0.101,593 0.121,594 0.083,595 0.105,596 0.222,597 0.081,598 -0.055,599 -0.004,600 0.009,601 0.043,602 0.029,603 0.03,604 0.093,605 -0.116,606 0.048,607 -0.083,608 0.09,609 -0.074,610 0.006,611 0.135,612 0.108,613 0.184,614 0.002,615 0.163,616 0.062,617 -0.072,618 0.088,619 0.044,620 0.088,621 0.088,622 0.027,623 0.023,624 0.023,625 0.004,626 0.07,627 -0.019,628 -0.045,629 -0.098,630 0.048,631 0.015,632 -0.022,633 0.003,634 1.053,635 2.186,636 0.517,637 36.59,638 0.998,639 1.138,640 4.587,641 21.044,642 0.665,643 3.466,644 3.761,645 3.989,646 4.205,647 4.369,648 4.466,649 4.595,650 4.736,651 4.771,652 4.836,653 7.992,654 0.616,655 435.45,656 3.466,657 4.99,658 5.82,659 6.681,660 7.529,661 8.397,662 9.256,663 10.13,664 10.996,665 11.875,666 10.5,669 1,671 1,674 1,676 3,680 2,681 5,682 3,686 4,687 1,688 16,697 1,702 2,703 57,705 16,706 1,707 31,709 59,710 21,711 11,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 11,730 10,747 28,748 5,749 1,750 8,751 2,753 1,755 6,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 3,802 2,805 29,810 6,811 1,814 1,815 1,824 2,832 15.5,833 11.036,834 6.583,835 3.845,836 3.143,837 1.421,838 0.955,839 7.987,840 10.61,841 3.689,842 4.273,843 4.835,844 5.416,845 5.924,846 6.238,847 6.644,848 7.084,849 7.276,850 7.615,851 1,852 42,853 10.691,854 4.347,855 7.571,856 20.835,857 16.643,859 2.071,860 60.056,863 1,864 317.82,865 102.008,866 73.391,867 78.297,871 102.008,872 396.117,873 73.391,874 26.476,875 13.492,876 28.429,877 100.528,878 25.973,879 4.043,880 294.278,881 78.297,882 317.82,883 175.398,885 78.297,887 166.511,888 153.024,891 64.556,892 40.76,893 146.665,895 317.82,896 73.391,897 180.305,900 317.82,901 29.437,902 77.594,903 18.011,904 128.654,905 317.82,906 73.391,907 180.305,909 0.573,910 0.332,911 0.168,912 0.083,913 18,914 9,915 0.169,916 10,917 1,918 1.133,919 4.133,920 236.676,921 0.133,922 15,923 136.881,928 22.134,929 10.465,930 5.969,931 1.54,932 71.492,933 9.082,934 13.49,938 2.846,939 1.988,940 18.011,941 571.515,942 39,952 56.861,953 64.86,954 0.265,955 0.595,956 0.805,957 0.879,958 0.879,959 0.879,960 4.913,961 1.462,962 5.796,963 5.031,964 4.443,965 4.959,966 1.038,967 6.567,968 4.281,969 6.105,970 1.34,971 7.334,972 3.862,973 4.007,974 4.796,975 0.325,976 7.391,977 3.703,978 7.402,979 1.121,980 8.966,981 3.489,982 6.004,983 7.168,984 0.507,985 10.445,986 5.698,987 8.737,988 0.686,989 10.652,990 2.359,991 6.365,992 7.857,993 0.268,994 12.093,995 5.93,996 10.103,997 0.618,998 12.374,999 1.635,1000 7.828,1001 9.718,1002 0.277,1003 14.67,1004 7.381,1005 11.495,1006 0.311,1007 14.122,1008 0.791,1009 8.566,1010 10.82,1011 0.188,1012 16.689,1013 8.009,1014 12.905,1015 0.145,1016 15.89,1017 0.748,1018 9.812,1019 12.469,1020 0.167,1021 19.1,1022 9.225,1023 3.111,1024 -0.173,1025 17.673,1026 0.262,1027 10.738,1028 13.774,1029 0.125,1030 21.288,1031 10.055,1032 2.834,1033 10.393,1034 19.469,1035 -0.391,1036 11.895,1037 15.331,1038 0.105,1039 23.642,1040 11.169,1041 2.556,1042 8.737,1043 21.276,1044 4.505,1045 12.914,1046 16.734,1047 0.082,1048 25.907,1049 12.103,1050 2.435,1051 7.432,1052 23.093,1053 3.878,1054 14.038,1055 18.252,1056 0.067,1057 28.243,1058 13.173,1059 2.17,1060 6.649,1061 24.918,1062 3.208,1063 15.104,1064 19.703,1065 0.054,1066 30.544,1067 14.162,1068 2.037,1069 6.12,1070 26.749,1071 2.783,1072 16.217,1073 21.206,1074 0.043,1075 32.875,1076 15.216,1077 1.732,1078 5.64,1079 28.587,1080 2.485,1081 17.308,1082 22.681,1083 0.035,1084 35.193,1085 16.234,1086 11469,1087 18867,1088 20.285,1089 37.887,1090 45.268,1091 45.836,1092 47.32,1093 45.454,1094 45.118,1095 57.4,1096 3.443,1097 126.295,1098 41.27,1099 5.492,1100 5.309,1101 6.173,1102 5.122,1103 5.111,1104 7.505,1105 1.322,1106 17.243,1107 4.905,1108 16.525,1109 1.46,1110 1.479,1111 1.526,1112 1.466,1113 1.455,1114 1.852,1115 0.111,1116 4.074,1117 1.331,1118 4.105,1119 4.158,1120 4.131,1121 3.95,1122 5.163,1123 3.968,1124 3.882,1125 3.903,1126 4.013,1127 3.805,1128 5.006,1129 3.812,1130 3.805,1131 3.879,1132 3.669,1133 3.639,1134 4.631,1135 3.634,1136 3.634,1137 3.715,1138 3.593,1139 3.443,1140 4.56,1141 3.441,1142 3.368,1143 3.448,1144 3.498,1145 3.161,1146 4.333,1147 3.174,1148 3.306,1149 3.407,1150 3.279,1151 3.123,1152 4.17,1153 3.089,1154 3.222,1155 3.313,1156 3.1,1157 3.051,1158 4.125,1159 3.028,1160 3.031,1161 3.093,1162 3.04,1163 2.875,1164 3.952,1165 2.878,1166 0.147,1167 0.107,1168 0.211,1169 0.131,1170 0.1,1171 4.558,1172 0.145,1173 3.309,1174 0.026,1175 6.555,1176 0.335,1177 4.046,1178 0.094,1179 3.111,1180 4.505,1181 0.8,1182 10.393,1183 2.905,1184 1.92,1185 1.898,1186 2.02,1187 2.049,1188 1.339,1189 2.036,1190 1.811,1191 1.758,1192 1.987,1193 1.98,1194 1.191,1195 1.995,1196 1.74,1197 1.681,1198 1.9,1199 1.923,1200 1.123,1201 1.919,1202 1.605,1203 1.53,1204 1.797,1205 1.804,1206 0.907,1207 1.822,1208 1.413,1209 1.343,1210 1.725,1211 1.66,1212 0.869,1213 1.64,1214 1.351,1215 1.256,1216 1.641,1217 1.584,1218 0.845,1219 1.638,1220 1.284,1221 1.194,1222 1.542,1223 1.515,1224 0.615,1225 1.557,1226 0.976,1227 0.921,1228 1.263,1229 1.205,1230 0.437,1231 1.21,1232 4.143,1233 5.442,1234 2.398,1235 6.925,1236 4.727,1237 8.493,1238 6.823,1239 10.108,1241 6.569,1242 12.279,1247 6.126,1248 3.392,1251 0.304,1252 2.439,1257 35.105,1258 88.12,1259 197.738,1260 267.681,1261 292.21,1262 292.21,1263 292.21,1264 49.343,1265 7.467,1266 58.87,1267 58.87,1268 17,1269 12.415,1270 4.087,1271 3.17,1272 52.879,1273 140,1274 134,1275 0.186,1276 226.969,1277 380.02,1278 545.565,1279 18530,1280 3.5,1281 20.803,1282 0.717,1283 0.645,1284 21.803,1285 18.711,1286 13.995,1287 0.451,1288 0.35,1289 10.041,1290 12.921,1291 9.657,1292 8.068,1293 14.572,1294 10.86,1295 12.286,1296 0.293,1297 0.192,1298 13.065,1299 8.069,1300 10.078,1301 0.19,1302 0.108,1303 10.694,1304 5.703,1305 8.092,1306 0.123,1307 0.058,1308 8.773,1309 3.801,1310 5.923,1311 0.076,1312 0.028,1313 6.321,1314 2.222,1315 0.302,1316 93.231,1317 0.222,1318 28.275,1319 0.483,1320 146,1321 392.965,1322 189.361,1323 445.288,1324 595.54,1325 416,1326 168,1327 399.725,1328 202.708,1329 424.869,1330 620.71,1331 399,1332 6.081}
{0 CHEMBL232841,1 1.483,2 12.903,3 6.834,4 46.706,5 135.112,6 7.427,7 0.515,8 4.186,9 4.326,10 3.746,11 3.735,12 5.179,13 3.678,14 4.741,15 4.952,16 4.106,17 4.114,18 5.686,19 4.024,20 5.008,21 5.256,22 4.197,23 4.267,24 5.878,25 4.147,26 5.069,27 5.325,28 4.211,29 4.266,30 5.96,31 4.118,32 5.096,33 5.385,34 3.972,35 4.22,36 5.867,37 4.064,38 5.046,39 5.322,40 4.055,41 4.207,42 5.88,43 4.067,44 5.015,45 5.277,46 3.996,47 4.233,48 5.842,49 4.084,50 5.046,51 5.325,52 4.052,53 4.223,54 5.863,55 4.057,56 0.048,57 0.898,58 13.491,59 5.533,60 8.91,61 7.96,62 0.267,63 1.416,64 26.732,65 9.416,66 26.357,67 13.615,68 0.321,69 1.687,70 39.754,71 12.041,72 33.709,73 17.625,74 0.487,75 1.748,76 47.404,77 13.078,78 50.025,79 19.002,80 0.39,81 1.774,82 42.021,83 13.017,84 40.891,85 19.458,86 0.454,87 1.698,88 41.068,89 12.207,90 45.958,91 18.408,92 0.342,93 1.695,94 37.178,95 12.253,96 37.376,97 18.083,98 0.393,99 1.642,100 40.537,101 13.232,102 43.507,103 19.503,104 36,105 44,106 0.24,107 0.549,108 0.745,109 0.853,110 0.858,111 0.858,112 3.471,113 1.063,114 -6.98,115 -6.79,116 -6.28,119 38.7,120 3,121 2,125 4,127 1,138 7,139 2,140 2,142 1,143 1,146 1,163 7,165 1,166 6,169 3,171 4,172 12,176 4,181 3,183 6,187 7,190 1,191 1,192 7,194 8,198 5,201 1,203 3,205 5,209 8,214 5,217 7,220 1,221 2,226 4,227 10,231 3,236 3,238 12,241 1,242 4,245 1,249 12,252 1905,253 20.963,254 20.963,255 20.963,256 20.963,257 20.963,258 18.875,259 29.154,260 12.502,261 21.637,262 16.164,263 16.164,264 16.164,265 16.164,266 16.164,267 13.037,268 45.197,269 5.8,270 17.294,271 4.471,272 2.563,273 1.35,274 0.682,275 0.649,276 0.649,277 4.154,279 2,283 1,284 830,285 4.183,288 278.877,292 151.064,295 2.158,296 21.176,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 65.167,308 400,309 4.537,310 3.271,311 6.544,312 4.051,313 3.091,314 4.473,315 0.8,316 10.378,317 2.974,318 4.23,319 3.15,320 6.06,321 3.788,322 2.854,323 3.879,324 0.657,325 8.71,326 2.634,327 3.652,328 2.785,329 5.351,330 3.413,331 2.475,332 3.071,333 0.4,334 6.842,335 2.335,336 3.582,337 2.759,338 5.295,339 3.3,340 2.364,341 2.904,343 6.762,344 2.2,345 3.45,346 2.548,347 5.269,348 3.216,349 2.297,350 2.765,352 6.63,353 2.096,354 3.442,355 2.434,356 4.955,357 2.974,358 2.093,359 2.457,361 5.798,362 1.85,363 3.171,364 2.007,365 4.861,366 2.886,367 1.927,368 2.23,370 5.444,371 1.764,372 2.907,373 1.972,374 4.178,375 2.419,376 1.49,377 2.097,379 3.783,380 1.397,381 2.843,382 1.431,383 3.875,384 2.358,385 1.403,386 1.976,388 3.14,389 1.244,390 2.476,391 1.257,392 3.6,393 2.161,394 1.181,395 1.467,397 2.745,398 1.155,399 2.128,400 1.097,401 3.363,402 1.97,403 1,404 1.117,406 2.267,407 0.967,408 1.964,409 0.956,410 3.232,411 1.663,412 0.737,413 0.876,415 1.715,416 0.662,417 1.618,418 0.744,419 2.855,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.365,427 0.445,428 2.63,429 1.121,430 0.158,431 0.166,433 0.295,434 0.152,435 1.222,436 0.287,437 2.618,438 0.921,439 0.03,440 0.037,442 0.071,443 0.024,444 15.429,445 0.498,446 0.677,447 0.022,448 36.75,449 1.185,450 17,451 0.548,452 19.75,453 0.637,454 31.871,455 1.028,456 34.371,457 0.554,458 25.927,459 0.836,460 6.829,461 0.22,462 8.166,463 0.263,464 0.19,466 0.285,472 0.793,473 1.478,474 0.667,475 1.048,476 0.755,477 1.013,478 0.815,479 1.098,480 0.696,481 0.894,482 0.561,483 0.925,484 1.152,485 1.099,486 0.885,487 0.889,488 0.913,489 0.9,490 0.956,491 1.139,492 0.899,493 1.037,494 0.901,495 1.038,496 0.896,497 0.973,498 0.702,499 0.832,500 0.829,501 0.874,502 0.813,503 1.003,504 0.717,505 0.882,506 0.71,507 0.887,508 0.95,509 1.002,510 0.776,511 0.918,512 0.926,513 0.997,514 0.593,515 0.983,516 0.651,517 0.906,518 0.614,519 0.925,520 6.5,521 0.231,522 3.111,523 1.938,524 1.48,525 0.917,526 0.527,527 0.503,528 0.32,529 0.331,530 12945,531 32441,532 2.012,533 50,535 16,538 2,540 13,542 1.738,543 1.879,544 3.62,545 0.193,550 91.931,551 1.483,552 3.391,553 4.604,554 5.273,555 5.305,556 5.305,557 3.1,558 4.696,559 4.92,560 3.831,561 1781.54,562 8.607,563 26475.3,568 369.16,569 1.418,570 4.881,571 0.197,572 0.007,573 0.071,574 0.042,575 0.036,576 0.024,577 0.013,578 0.013,579 0.009,580 0.009,581 0.421,582 0.33,583 0.63,584 1.798,585 163.274,586 -0.023,587 -0.203,588 0.019,589 -0.051,590 -0.057,591 -0.011,592 0.118,593 0.06,594 0.069,595 0.051,596 0.216,597 0.036,598 -0.101,599 -0.039,600 0.026,601 0.06,602 0.019,603 0.058,604 0.093,605 -0.112,606 0.037,607 -0.086,608 0.109,609 -0.079,610 -0.032,611 0.021,612 0.04,613 0.069,614 -0.02,615 0.068,616 0.09,617 0.008,618 0.068,619 0.035,620 0.138,621 0.062,622 -0.098,623 0.049,624 -0.041,625 0.002,626 -0.102,627 -0.045,628 0.165,629 -0.012,630 0.126,631 0.041,632 0.146,633 0.053,634 1.095,635 2.19,636 0.516,637 36.918,638 0.992,639 1.132,640 5.753,641 33.096,642 0.668,643 3.526,644 3.807,645 4.025,646 4.234,647 4.443,648 4.5,649 4.554,650 4.7,651 4.828,652 4.875,653 7.648,654 0.615,655 460.5,656 3.526,657 5.043,658 5.866,659 6.72,660 7.562,661 8.423,662 9.274,663 10.14,664 10.997,665 11.868,666 8.1,669 1,671 2,676 2,680 2,681 7,682 2,686 5,688 17,697 2,702 2,703 62,705 17,706 2,707 33,709 64,710 24,711 14,712 5,713 7,717 3,718 4,719 2,721 3,727 3,729 14,730 10,747 31,748 5,749 2,750 7,751 2,755 5,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,802 2,805 31,810 6,811 2,814 1,815 1,824 2,832 16.5,833 11.802,834 7.083,835 4.162,836 3.299,837 1.441,838 0.958,839 9.058,840 10.784,841 3.75,842 4.317,843 4.869,844 5.435,845 6.003,846 6.232,847 6.533,848 6.938,849 7.336,850 7.434,851 0.889,852 46,853 11.44,854 4.634,855 7.539,856 22.371,857 17.855,859 2.039,860 63.222,864 341.362,865 125.432,866 72.717,867 78.297,871 125.432,872 419.659,873 72.717,874 26.476,875 13.492,876 66.334,877 69.593,878 18.028,879 4.227,880 341.362,881 78.297,882 341.362,883 198.149,885 78.297,887 188.338,888 153.024,891 47.135,892 81.421,893 147.89,895 341.362,896 72.717,897 203.729,900 341.362,901 32.623,902 95.934,903 36.022,904 111.868,905 341.362,906 72.717,907 203.729,909 0.568,910 0.329,911 0.17,912 0.088,913 18,914 9,915 0.172,916 11,917 1,918 1.125,919 4.241,920 261.647,921 0.125,922 16,923 149.58,928 23.9,929 11.749,930 6.863,931 1.924,932 72.717,933 13.561,934 9.441,938 3.619,940 36.022,941 617.808,942 41.5,952 61.527,953 70.192,954 0.249,955 0.57,956 0.773,957 0.886,958 0.891,959 0.891,960 4.965,961 1.49,962 5.832,963 5.444,964 4.489,965 5.004,966 1.145,967 6.589,968 4.357,969 6.147,970 1.403,971 7.359,972 3.783,973 4.007,974 4.796,975 0.325,976 7.391,977 3.743,978 7.437,979 1.181,980 8.983,981 3.14,982 6.033,983 7.196,984 0.634,985 10.45,986 5.789,987 8.762,988 1,989 10.664,990 2.745,991 6.347,992 7.827,993 0.268,994 12.077,995 5.991,996 10.12,997 0.737,998 12.381,999 2.267,1000 7.834,1001 9.72,1002 0.364,1003 14.662,1004 7.489,1005 11.502,1006 0.618,1007 14.125,1008 1.715,1009 8.536,1010 10.773,1011 0.188,1012 16.664,1013 8.104,1014 12.905,1015 0.158,1016 15.889,1017 0.791,1018 9.796,1019 12.443,1020 0.215,1021 19.083,1022 9.359,1023 3.091,1024 0.03,1025 17.669,1026 0.295,1027 10.697,1028 13.714,1029 0.125,1030 21.262,1031 10.195,1032 2.854,1033 10.378,1034 19.461,1035 0.071,1036 11.86,1037 15.281,1038 0.129,1039 23.62,1040 11.34,1041 2.475,1042 8.71,1043 21.266,1044 4.473,1045 12.864,1046 16.661,1047 0.082,1048 25.881,1049 12.292,1050 2.364,1051 6.842,1052 23.079,1053 3.879,1054 13.987,1055 18.182,1056 0.079,1057 28.219,1058 13.392,1059 2.297,1060 6.762,1061 24.901,1062 3.071,1063 15.043,1064 19.617,1065 0.054,1066 30.518,1067 14.404,1068 2.093,1069 6.63,1070 26.73,1071 2.904,1072 16.154,1073 21.118,1074 0.048,1075 32.85,1076 15.486,1077 1.927,1078 5.798,1079 28.565,1080 2.765,1081 17.237,1082 22.58,1083 0.035,1084 35.167,1085 16.531,1086 12823,1087 20724,1088 21.671,1089 41.404,1090 47.518,1091 48.396,1092 49.542,1093 47.777,1094 47.432,1095 60.267,1096 3.715,1097 130.743,1098 44.109,1099 5.474,1100 5.271,1101 6.225,1102 5.127,1103 5.091,1104 7.473,1105 1.457,1106 17.354,1107 4.974,1108 17.107,1109 1.44,1110 1.467,1111 1.501,1112 1.448,1113 1.437,1114 1.826,1115 0.113,1116 3.962,1117 1.337,1118 4.073,1119 4.112,1120 4.103,1121 3.976,1122 5.076,1123 3.985,1124 3.914,1125 3.933,1126 4.021,1127 3.874,1128 5.002,1129 3.863,1130 3.797,1131 3.871,1132 3.657,1133 3.636,1134 4.63,1135 3.63,1136 3.625,1137 3.703,1138 3.601,1139 3.443,1140 4.5,1141 3.44,1142 3.473,1143 3.541,1144 3.481,1145 3.283,1146 4.361,1147 3.301,1148 3.306,1149 3.407,1150 3.395,1151 3.123,1152 4.271,1153 3.094,1154 3.282,1155 3.372,1156 3.172,1157 3.107,1158 4.128,1159 3.089,1160 3.167,1161 3.238,1162 3.045,1163 3.023,1164 3.959,1165 3.005,1166 0.137,1167 0.099,1168 0.198,1169 0.123,1170 0.094,1171 4.537,1172 0.136,1173 3.271,1174 0.024,1175 6.544,1176 0.314,1177 4.051,1178 0.09,1179 3.091,1180 4.473,1181 0.8,1182 10.378,1183 2.974,1184 2.012,1185 1.982,1186 2.087,1187 2.13,1188 1.342,1189 2.118,1190 1.895,1191 1.878,1192 2.006,1193 1.972,1194 1.184,1195 1.988,1196 1.773,1197 1.705,1198 1.965,1199 1.958,1200 1.145,1201 1.974,1202 1.616,1203 1.538,1204 1.886,1205 1.826,1206 1.11,1207 1.851,1208 1.409,1209 1.345,1210 1.725,1211 1.629,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.645,1217 1.584,1218 0.848,1219 1.624,1220 1.293,1221 1.207,1222 1.558,1223 1.527,1224 0.678,1225 1.567,1226 1.154,1227 1.094,1228 1.365,1229 1.353,1230 0.441,1231 1.37,1232 4.205,1233 5.493,1235 6.974,1237 8.549,1239 10.176,1241 6.633,1242 12.3,1247 6.075,1248 6.903,1251 0.312,1252 2.455,1257 38.137,1258 91.931,1259 210.24,1260 285.47,1261 326.896,1262 328.896,1263 328.896,1264 55.53,1265 7.484,1266 53.08,1267 53.08,1268 18,1269 12.414,1270 4.17,1271 3.248,1272 58.149,1273 137,1274 148,1275 0.199,1276 246.025,1277 418.28,1278 592.06,1279 18899,1280 3.2,1281 22.217,1282 0.717,1283 0.644,1284 23.217,1285 19.971,1286 14.995,1287 0.454,1288 0.354,1289 10.892,1290 14.017,1291 10.481,1292 8.766,1293 15.572,1294 11.688,1295 12.993,1296 0.295,1297 0.195,1298 13.772,1299 8.56,1300 10.57,1301 0.192,1302 0.11,1303 11.185,1304 6.031,1305 8.477,1306 0.125,1307 0.06,1308 9.173,1309 4.047,1310 6.479,1311 0.077,1312 0.029,1313 6.838,1314 2.449,1315 0.316,1316 98.61,1317 0.215,1318 29.506,1319 0.533,1320 154,1321 388.008,1322 195.224,1323 444.701,1324 597.01,1325 416,1326 176,1327 400.134,1328 207.794,1329 426.822,1330 623.29,1331 403,1332 5.719}
{0 CHEMBL233045,1 1.483,2 12.968,3 6.834,4 46.706,5 135.112,6 7.427,7 0.515,8 4.186,9 4.326,10 3.746,11 3.735,12 5.179,13 3.678,14 4.741,15 4.952,16 4.106,17 4.114,18 5.686,19 4.024,20 5.008,21 5.256,22 4.197,23 4.267,24 5.877,25 4.147,26 5.069,27 5.325,28 4.213,29 4.262,30 5.964,31 4.115,32 5.099,33 5.393,34 3.953,35 4.206,36 5.875,37 4.05,38 5.019,39 5.299,40 4.033,41 4.194,42 5.831,43 4.057,44 4.971,45 5.216,46 4.092,47 4.254,48 5.841,49 4.119,50 5.065,51 5.329,52 4.135,53 4.271,54 5.938,55 4.108,56 0.048,57 0.898,58 13.491,59 5.533,60 8.91,61 7.96,62 0.267,63 1.416,64 26.732,65 9.416,66 26.357,67 13.615,68 0.321,69 1.687,70 39.754,71 12.041,72 33.931,73 17.625,74 0.481,75 1.749,76 47.378,77 13.065,78 49.723,79 18.994,80 0.43,81 1.773,82 42.46,83 12.682,84 43.236,85 19.113,86 0.424,87 1.65,88 39.996,89 12.004,90 41.368,91 17.986,92 0.318,93 1.652,94 35.582,95 12.179,96 34.795,97 17.659,98 0.387,99 1.688,100 42.082,101 13.582,102 46.815,103 19.847,104 36,105 44,106 0.24,107 0.549,108 0.745,109 0.853,110 0.858,111 0.858,112 3.471,113 1.063,114 -6.98,115 -6.79,116 -6.28,119 38.7,120 3,121 2,125 4,127 1,138 7,139 2,140 2,142 1,143 1,146 1,163 7,165 1,166 6,169 3,171 4,172 12,176 4,181 3,183 6,187 8,190 1,191 1,192 7,194 7,198 5,201 1,203 3,205 4,209 4,214 5,217 10,220 2,221 1,226 4,227 14,231 4,236 3,238 14,242 6,245 1,249 8,252 1851,253 20.963,254 20.963,255 20.963,256 20.963,257 20.963,258 18.875,259 29.154,260 12.499,261 21.637,262 16.164,263 16.164,264 16.164,265 16.164,266 16.164,267 13.037,268 45.197,269 5.794,270 17.292,271 4.471,272 2.563,273 1.35,274 0.682,275 0.649,276 0.649,277 4.154,279 2,283 1,284 835,285 4.183,288 277.598,292 151.908,295 2.098,296 21.186,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 65.167,308 402,309 4.535,310 3.275,311 6.538,312 4.048,313 3.087,314 4.472,315 0.8,316 10.351,317 2.971,318 4.228,319 3.134,320 6.058,321 3.782,322 2.849,323 3.879,324 0.657,325 8.702,326 2.628,327 3.713,328 2.788,329 5.45,330 3.463,331 2.518,332 3.092,333 0.4,334 7.252,335 2.38,336 3.527,337 2.752,338 5.271,339 3.339,340 2.42,341 2.89,343 6.645,344 2.222,345 3.451,346 2.657,347 5.227,348 3.096,349 2.178,350 2.76,352 6.344,353 2.002,354 3.43,355 2.285,356 4.956,357 2.966,358 2.055,359 2.457,361 5.793,362 1.878,363 3.172,364 2.063,365 4.808,366 2.924,367 1.985,368 2.243,370 5.434,371 1.764,372 2.88,373 1.965,374 4.188,375 2.394,376 1.484,377 2.043,379 3.799,380 1.386,381 2.853,382 1.419,383 3.896,384 2.382,385 1.406,386 1.984,388 3.145,389 1.253,390 2.518,391 1.245,392 3.604,393 2.132,394 1.155,395 1.525,397 2.794,398 1.125,399 2.139,400 1.194,401 3.374,402 2.064,403 1.092,404 1.134,406 2.341,407 1.057,408 1.936,409 0.897,410 3.211,411 1.603,412 0.674,413 0.826,415 1.594,416 0.606,417 1.618,418 0.744,419 2.826,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.365,427 0.414,428 2.717,429 1.126,430 0.163,431 0.17,433 0.304,434 0.156,435 1.218,436 0.298,437 2.618,438 0.921,439 0.029,440 0.035,442 0.068,443 0.023,444 15.429,445 0.498,446 0.677,447 0.022,448 36.75,449 1.185,450 17,451 0.548,452 19.75,453 0.637,454 31.816,455 1.026,456 34.371,457 0.554,458 25.963,459 0.838,460 6.829,461 0.22,462 8.166,463 0.263,464 0.19,466 0.285,472 0.793,473 1.478,474 0.667,475 1.048,476 0.755,477 1.013,478 0.815,479 1.098,480 0.696,481 0.894,482 0.561,483 0.925,484 1.152,485 1.099,486 0.885,487 0.889,488 0.916,489 0.9,490 0.946,491 1.171,492 0.896,493 1.052,494 0.886,495 1.046,496 0.995,497 0.916,498 0.721,499 0.789,500 0.935,501 0.85,502 0.877,503 0.904,504 0.712,505 0.797,506 0.769,507 0.822,508 0.882,509 0.998,510 0.782,511 0.921,512 0.83,513 0.983,514 0.689,515 1.099,516 0.772,517 1.015,518 0.738,519 1.017,520 6.5,521 0.21,522 3.111,523 2.063,524 1.32,525 0.861,526 0.67,527 0.481,528 0.307,529 0.335,530 12945,531 32281,532 2.012,533 50,535 16,538 2,540 13,542 1.738,543 1.879,544 3.637,545 0.193,550 91.931,551 1.483,552 3.391,553 4.604,554 5.273,555 5.305,556 5.305,557 3.127,558 4.761,559 4.92,560 3.84,561 1785.65,562 8.606,563 26505.4,568 369.16,569 1.418,570 4.881,571 0.197,572 0.007,573 0.071,574 0.045,575 0.032,576 0.023,577 0.017,578 0.011,579 0.008,580 0.01,581 0.421,582 0.33,583 0.63,584 1.798,585 163.312,586 -0.023,587 -0.203,588 0.019,589 -0.051,590 -0.057,591 -0.011,592 0.118,593 0.06,594 0.069,595 0.051,596 0.216,597 0.036,598 -0.101,599 -0.039,600 0.026,601 0.06,602 0.016,603 0.058,604 0.103,605 -0.145,606 0.039,607 -0.102,608 0.124,609 -0.088,610 -0.074,611 0.083,612 0.027,613 0.099,614 -0.074,615 0.079,616 0.029,617 0.104,618 0.08,619 0.121,620 0.074,621 0.128,622 -0.031,623 0.071,624 -0.006,625 0.027,626 -0.004,627 -0.014,628 0.141,629 -0.109,630 0.074,631 -0.049,632 0.124,633 -0.035,634 1.046,635 2.222,636 0.516,637 36.539,638 0.992,639 1.132,640 5.753,641 33.096,642 0.668,643 3.526,644 3.807,645 4.025,646 4.234,647 4.431,648 4.5,649 4.595,650 4.727,651 4.828,652 4.875,653 7.665,654 0.615,655 460.5,656 3.526,657 5.043,658 5.866,659 6.72,660 7.561,661 8.422,662 9.272,663 10.139,664 10.995,665 11.866,666 8.1,669 1,671 2,676 2,680 2,681 7,682 2,686 5,688 17,697 2,702 2,703 62,705 17,706 2,707 33,709 64,710 24,711 14,712 5,713 7,717 3,718 4,719 2,721 3,727 3,729 14,730 10,747 31,748 5,749 2,750 7,751 2,755 5,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,802 2,805 31,810 6,811 2,814 1,815 1,824 2,832 16.5,833 11.802,834 7.083,835 4.162,836 3.313,837 1.443,838 0.958,839 9.058,840 10.798,841 3.75,842 4.317,843 4.869,844 5.435,845 5.997,846 6.234,847 6.566,848 6.964,849 7.344,850 7.451,851 0.889,852 46,853 11.441,854 4.635,855 7.539,856 22.371,857 17.855,859 2.039,860 63.222,864 341.362,865 125.432,866 72.717,867 78.297,871 125.432,872 419.659,873 72.717,874 26.476,875 13.492,876 66.334,877 69.593,878 18.028,879 4.227,880 341.362,881 78.297,882 341.362,883 198.149,885 78.297,887 188.338,888 153.024,891 47.135,892 81.421,893 147.89,895 341.362,896 72.717,897 203.729,900 341.362,901 32.623,902 95.934,903 36.022,904 111.868,905 341.362,906 72.717,907 203.729,909 0.568,910 0.329,911 0.169,912 0.086,913 18,914 9,915 0.172,916 11,917 1,918 1.125,919 4.242,920 261.674,921 0.125,922 16,923 147.58,928 23.9,929 11.749,930 6.863,931 1.882,932 72.717,933 13.548,934 9.485,938 3.655,940 36.022,941 617.808,942 41.5,952 61.527,953 70.192,954 0.249,955 0.57,956 0.773,957 0.886,958 0.891,959 0.891,960 4.965,961 1.484,962 5.832,963 5.434,964 4.489,965 5.004,966 1.145,967 6.589,968 4.357,969 6.147,970 1.406,971 7.359,972 3.799,973 4.007,974 4.796,975 0.325,976 7.391,977 3.743,978 7.437,979 1.155,980 8.983,981 3.145,982 6.033,983 7.196,984 0.634,985 10.449,986 5.789,987 8.762,988 1.092,989 10.664,990 2.794,991 6.347,992 7.827,993 0.268,994 12.075,995 5.991,996 10.12,997 0.674,998 12.381,999 2.341,1000 7.834,1001 9.72,1002 0.364,1003 14.657,1004 7.489,1005 11.502,1006 0.618,1007 14.125,1008 1.594,1009 8.536,1010 10.773,1011 0.188,1012 16.657,1013 8.104,1014 12.905,1015 0.163,1016 15.888,1017 0.791,1018 9.795,1019 12.443,1020 0.215,1021 19.072,1022 9.358,1023 3.087,1024 0.029,1025 17.668,1026 0.304,1027 10.696,1028 13.713,1029 0.125,1030 21.248,1031 10.192,1032 2.849,1033 10.351,1034 19.46,1035 0.068,1036 11.857,1037 15.28,1038 0.129,1039 23.602,1040 11.336,1041 2.518,1042 8.702,1043 21.264,1044 4.472,1045 12.86,1046 16.66,1047 0.082,1048 25.859,1049 12.287,1050 2.42,1051 7.252,1052 23.077,1053 3.879,1054 13.982,1055 18.181,1056 0.079,1057 28.193,1058 13.384,1059 2.178,1060 6.645,1061 24.898,1062 3.092,1063 15.036,1064 19.616,1065 0.054,1066 30.488,1067 14.394,1068 2.055,1069 6.344,1070 26.726,1071 2.89,1072 16.145,1073 21.117,1074 0.048,1075 32.817,1076 15.474,1077 1.985,1078 5.793,1079 28.56,1080 2.76,1081 17.226,1082 22.579,1083 0.035,1084 35.131,1085 16.517,1086 12833,1087 20670,1088 21.671,1089 41.404,1090 47.519,1091 48.372,1092 49.581,1093 47.77,1094 47.425,1095 60.259,1096 3.715,1097 130.717,1098 44.1,1099 5.471,1100 5.275,1101 6.219,1102 5.123,1103 5.087,1104 7.472,1105 1.457,1106 17.302,1107 4.971,1108 17.121,1109 1.44,1110 1.466,1111 1.502,1112 1.448,1113 1.437,1114 1.826,1115 0.113,1116 3.961,1117 1.336,1118 4.074,1119 4.112,1120 4.105,1121 3.978,1122 5.075,1123 3.986,1124 3.909,1125 3.928,1126 4.017,1127 3.868,1128 5.004,1129 3.858,1130 3.803,1131 3.875,1132 3.664,1133 3.642,1134 4.629,1135 3.636,1136 3.638,1137 3.716,1138 3.599,1139 3.449,1140 4.509,1141 3.449,1142 3.439,1143 3.506,1144 3.501,1145 3.268,1146 4.338,1147 3.279,1148 3.306,1149 3.407,1150 3.348,1151 3.123,1152 4.266,1153 3.105,1154 3.296,1155 3.382,1156 3.203,1157 3.111,1158 4.131,1159 3.089,1160 3.188,1161 3.27,1162 3.04,1163 3.024,1164 4.03,1165 3.006,1166 0.137,1167 0.099,1168 0.198,1169 0.123,1170 0.094,1171 4.535,1172 0.136,1173 3.275,1174 0.024,1175 6.538,1176 0.314,1177 4.048,1178 0.09,1179 3.087,1180 4.472,1181 0.8,1182 10.351,1183 2.971,1184 2.012,1185 1.983,1186 2.085,1187 2.13,1188 1.339,1189 2.117,1190 1.891,1191 1.874,1192 2.011,1193 1.974,1194 1.196,1195 1.991,1196 1.777,1197 1.709,1198 1.96,1199 1.954,1200 1.131,1201 1.97,1202 1.622,1203 1.543,1204 1.89,1205 1.837,1206 1.116,1207 1.859,1208 1.394,1209 1.332,1210 1.725,1211 1.602,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.647,1217 1.584,1218 0.851,1219 1.61,1220 1.292,1221 1.208,1222 1.547,1223 1.526,1224 0.675,1225 1.557,1226 1.166,1227 1.099,1228 1.369,1229 1.394,1230 0.438,1231 1.402,1232 4.205,1233 5.493,1235 6.974,1237 8.549,1239 10.176,1241 6.598,1242 12.348,1247 6.069,1248 6.903,1251 0.287,1252 2.448,1257 38.137,1258 91.931,1259 210.24,1260 285.47,1261 326.896,1262 328.896,1263 328.896,1264 55.719,1265 7.484,1266 53.08,1267 53.08,1268 18,1269 12.412,1270 4.17,1271 3.248,1272 58.17,1273 139,1274 150,1275 0.198,1276 246.025,1277 418.28,1278 592.06,1279 18887,1280 3.2,1281 22.217,1282 0.717,1283 0.644,1284 23.217,1285 19.971,1286 14.995,1287 0.454,1288 0.354,1289 10.892,1290 14.017,1291 10.481,1292 8.766,1293 15.572,1294 11.688,1295 12.993,1296 0.295,1297 0.195,1298 13.772,1299 8.56,1300 10.563,1301 0.192,1302 0.11,1303 11.178,1304 6.033,1305 8.525,1306 0.125,1307 0.06,1308 9.221,1309 4.049,1310 6.404,1311 0.077,1312 0.029,1313 6.762,1314 2.406,1315 0.316,1316 98.61,1317 0.215,1318 29.511,1319 0.531,1320 154,1321 388.008,1322 195.224,1323 444.701,1324 597.01,1325 416,1326 176,1327 400.134,1328 207.794,1329 426.823,1330 623.3,1331 403,1332 6.301}
{0 CHEMBL233046,1 1.667,2 13.647,3 4.223,4 17.833,5 134.675,6 8.205,7 0.447,8 4.222,9 4.35,10 3.875,11 3.759,12 5.254,13 3.738,14 4.802,15 4.992,16 4.273,17 4.184,18 5.812,19 4.132,20 5.104,21 5.333,22 4.381,23 4.346,24 6.072,25 4.26,26 5.127,27 5.364,28 4.363,29 4.27,30 6.177,31 4.18,32 5.037,33 5.281,34 4.143,35 4.192,36 6.013,37 4.112,38 5.012,39 5.25,40 4.169,41 4.242,42 5.925,43 4.146,44 5.062,45 5.313,46 4.188,47 4.289,48 5.965,49 4.163,50 5.042,51 5.311,52 4.226,53 4.203,54 5.961,55 4.081,56 0.054,57 0.96,58 11.326,59 5.07,60 6.54,61 6.863,62 0.386,63 1.566,64 24.584,65 8.882,66 27.252,67 12.303,68 0.506,69 1.878,70 40.875,71 12.761,72 45.154,73 17.827,74 0.817,75 1.833,76 48.528,77 12.356,78 82.859,79 16.842,80 0.692,81 1.736,82 37.829,83 10.763,84 68.39,85 15.087,86 0.567,87 1.747,88 36.309,89 10.83,90 46.265,91 15.532,92 0.497,93 1.77,94 38.212,95 13.027,96 50.41,97 18.619,98 0.566,99 1.635,100 42.035,101 12.586,102 50.373,103 18.298,104 10,105 53,106 0.268,107 0.593,108 0.763,109 0.853,110 0.875,111 0.875,112 3.561,113 0.98,114 -5.45,115 -5.33,116 -4.98,119 39.3,121 3,125 6,127 1,138 5,139 2,140 2,141 1,143 1,145 1,146 1,151 1,163 6,165 5,166 4,169 1,171 4,172 9,175 1,176 5,179 2,181 3,183 3,186 2,187 6,190 3,192 4,194 4,197 3,198 4,205 2,209 8,212 1,214 1,217 5,220 3,221 5,224 1,227 4,231 14,234 2,238 4,241 1,242 5,245 1,249 1,252 2228,253 23.292,254 23.292,255 23.292,256 23.292,257 23.292,258 21.123,259 29.674,260 13.763,261 24.032,262 18.759,263 18.759,264 18.759,265 18.759,266 18.759,267 15.406,268 43.148,269 6.547,270 20.059,271 4.263,272 2.245,273 1.186,274 0.623,275 0.492,276 0.492,277 4.27,279 2,284 1020,285 3.162,288 511.876,292 160.071,295 2.176,296 33.752,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 73.167,308 464,309 4.548,310 3.836,311 6.567,312 4.068,313 3.124,314 4.478,315 1.985,316 10.461,317 2.957,318 4.228,319 3.281,320 6.393,321 3.94,322 2.97,323 3.879,324 0.8,325 9.677,326 2.875,327 4.118,328 3.214,329 6.073,330 3.783,331 2.85,332 3.295,333 0.657,334 8.785,335 2.628,336 3.877,337 2.918,338 6.054,339 3.6,340 2.667,341 3.205,342 0.624,343 8.693,344 2.477,345 3.529,346 2.748,347 5.241,348 3.141,349 2.202,350 2.9,351 0.375,352 6.375,353 2.064,354 3.432,355 2.479,356 5.227,357 3.079,358 2.178,359 2.76,361 6.344,362 1.952,363 3.255,364 2.284,365 4.956,366 2.942,367 2.049,368 2.303,370 5.793,371 1.758,372 2.972,373 2.183,374 4.495,375 2.623,376 1.654,377 2.131,379 4.438,380 1.598,381 2.853,382 1.97,383 4.185,384 2.433,385 1.485,386 1.984,388 3.794,389 1.417,390 2.778,391 1.637,392 3.92,393 2.38,394 1.457,395 1.824,397 3.294,398 1.252,399 2.55,400 1.433,401 3.785,402 2.241,403 1.29,404 1.549,406 2.968,407 1.221,408 2.369,409 1.343,410 3.604,411 2.031,412 1.09,413 1.35,415 2.738,416 1.019,417 2.055,418 1.218,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 2,427 1.162,428 3.328,429 1.959,430 1,431 1,433 2.136,434 0.956,435 2,436 1.146,437 3.247,438 1.74,439 0.732,440 0.872,442 1.796,443 0.725,444 16.562,445 0.487,446 0.763,447 0.022,448 42.25,449 1.243,450 18.5,451 0.544,452 23.75,453 0.699,454 33.017,455 0.971,456 36.838,457 0.604,458 31.864,459 0.937,460 7.929,461 0.233,462 8.652,463 0.254,464 0.106,466 0.32,472 0.749,473 1.548,474 0.594,475 1.025,476 0.546,477 0.935,478 0.786,479 1.083,480 0.698,481 0.878,482 0.558,483 0.916,484 0.95,485 1.144,486 0.844,487 0.966,488 0.866,489 0.948,490 1.311,491 1.01,492 0.944,493 0.952,494 1.64,495 0.982,496 1.334,497 0.959,498 0.828,499 0.796,500 1.613,501 0.887,502 0.988,503 1.003,504 0.857,505 0.931,506 0.79,507 0.999,508 0.608,509 0.999,510 0.717,511 0.936,512 0.458,513 0.983,514 0.57,515 0.961,516 0.676,517 0.898,518 0.481,519 0.866,520 6,521 0.231,522 4.222,523 2.125,524 1.773,525 1.021,526 0.585,527 0.563,528 0.442,529 0.325,530 18098,531 49869,532 2.145,533 44.3,534 2,535 18,537 1,538 2,540 4,542 1.761,543 2.04,544 3.708,545 0.235,550 101.702,551 1.667,552 3.686,553 4.745,554 5.308,555 5.439,556 5.439,557 3.22,558 4.536,559 5.056,560 3.885,561 2179.38,562 8.871,563 33709.9,568 361.775,569 1.286,570 5.033,571 0.158,572 0.007,573 0.08,574 0.038,575 0.036,576 0.022,577 0.013,578 0.012,579 0.01,580 0.008,581 0.384,582 0.17,583 0.63,584 0.459,585 183.175,586 -0.055,587 -0.292,588 0.026,589 -0.075,590 0.002,591 -0.011,592 0.062,593 0.089,594 0.019,595 0.035,596 0.075,597 -0.001,598 -0.008,599 -0.119,600 0.031,601 -0.014,602 0.033,603 0.014,604 -0.062,605 -0.009,606 -0.001,607 -0.027,608 -0.134,609 -0.054,610 -0.185,611 0.065,612 -0.061,613 0.092,614 -0.221,615 0.029,616 -0.112,617 0.057,618 -0.08,619 -0.017,620 -0.057,621 -0.059,622 0.108,623 -0.01,624 0.061,625 0.024,626 0.142,627 0.014,628 0.22,629 -0.026,630 0.216,631 0.074,632 0.179,633 0.144,634 1.456,635 5.868,636 0.824,637 41.149,638 1.007,639 1.134,640 4.224,641 17.841,642 0.682,643 3.664,644 3.989,645 4.277,646 4.522,647 4.779,648 4.844,649 5.004,650 5.159,651 5.333,652 5.46,653 7.863,654 0.644,655 500.48,656 3.664,657 5.209,658 6.066,659 6.94,660 7.81,661 8.689,662 9.564,663 10.445,664 11.324,665 12.207,666 11.5,668 1,671 1,672 1,673 1,676 3,680 2,681 6,682 3,686 5,688 17,697 1,699 1,702 2,703 61,705 18,706 1,707 38,709 65,710 24,711 13,712 3,713 3,717 5,718 6,719 2,724 4,727 4,729 14,730 10,733 1,737 1,741 1,747 27,748 8,749 2,750 10,751 2,755 7,760 0.8,761 1,770 1,771 1,776 5,780 1,784 1,791 1,796 4,802 2,805 34,810 9,811 2,814 1,815 2,824 2,825 1.6,828 1,832 16.667,833 10.786,834 7.417,835 3.888,836 3.313,837 1.398,838 1.002,839 7.351,840 11.635,841 3.882,842 4.454,843 5.019,844 5.556,845 6.111,846 6.363,847 6.729,848 7.122,849 7.545,850 7.741,851 1,852 56,853 12.618,854 5.439,855 7.658,856 24.429,857 20.559,859 2.158,860 73.389,864 294.278,865 100.073,866 92.627,867 78.297,868 25.145,871 100.073,872 397.72,873 92.627,875 23.362,876 65.392,877 109.988,878 26.647,879 4.227,880 282.506,881 78.297,882 294.278,883 192.7,884 25.145,885 78.297,887 248.908,888 72.229,891 52.319,892 70.298,893 146.665,895 294.278,896 117.772,897 178.37,900 294.278,901 43.645,902 62.677,903 36.022,904 153.799,905 294.278,906 117.772,907 178.37,909 0.582,910 0.344,911 0.184,912 0.1,913 26,914 11,915 0.077,916 5,917 1,918 1.071,919 4.547,920 322.79,921 0.071,922 28,923 166.974,928 23.555,929 10.61,930 5.41,931 1.468,932 117.772,933 10.999,934 13.985,938 3.434,940 36.022,941 590.42,942 47.5,946 12.868,950 0.211,952 61.407,953 69.153,954 0.281,955 0.621,956 0.8,957 0.895,958 0.917,959 0.917,960 5.131,961 1.654,962 6.043,963 5.793,964 4.673,965 5.142,966 2.339,967 6.845,968 4.542,969 6.312,970 1.485,971 7.596,972 4.438,973 4.205,974 4.934,975 1.738,976 7.716,977 3.961,978 7.61,979 1.457,980 9.25,981 3.794,982 6.26,983 7.308,984 3.123,985 10.816,986 6.015,987 8.942,988 1.29,989 10.964,990 3.294,991 6.621,992 7.951,993 3.217,994 12.51,995 6.287,996 10.309,997 1.09,998 12.716,999 2.968,1000 8.125,1001 9.811,1002 4.294,1003 15.109,1004 7.775,1005 11.699,1006 1,1007 14.493,1008 2.738,1009 8.874,1010 10.865,1011 4.678,1012 17.141,1013 8.452,1014 13.108,1015 1,1016 16.288,1017 2.275,1018 10.145,1019 12.512,1020 5.58,1021 19.561,1022 9.697,1023 3.124,1024 0.732,1025 18.096,1026 2.136,1027 11.081,1028 13.778,1029 6.104,1030 21.742,1031 10.572,1032 2.97,1033 10.461,1034 19.913,1035 1.796,1036 12.253,1037 15.331,1038 6.909,1039 24.094,1040 11.708,1041 2.85,1042 9.677,1043 21.739,1044 4.478,1045 13.278,1046 16.705,1047 7.507,1048 26.344,1049 12.679,1050 2.667,1051 8.785,1052 23.57,1053 3.879,1054 14.41,1055 18.218,1056 8.258,1057 28.672,1058 13.77,1059 2.202,1060 8.693,1061 25.406,1062 3.295,1063 15.478,1064 19.649,1065 8.895,1066 30.957,1067 14.788,1068 2.178,1069 6.375,1070 27.246,1071 3.205,1072 16.595,1073 21.146,1074 9.617,1075 33.277,1076 15.86,1077 2.049,1078 6.344,1079 29.089,1080 2.9,1081 17.685,1082 22.606,1083 10.276,1084 35.581,1085 16.901,1086 16813,1087 28174,1088 25.948,1089 41.586,1090 57.157,1091 58.544,1092 58.132,1093 57.199,1094 56.847,1095 70.74,1096 8.885,1097 162.362,1098 52.941,1099 5.548,1100 5.836,1101 6.369,1102 5.146,1103 5.124,1104 7.478,1105 3.458,1106 17.412,1107 4.957,1108 13.86,1109 1.504,1110 1.541,1111 1.53,1112 1.505,1113 1.496,1114 1.862,1115 0.234,1116 4.273,1117 1.393,1118 4.068,1119 4.115,1120 4.105,1121 3.939,1122 7.427,1123 3.954,1124 3.907,1125 3.953,1126 4.014,1127 3.855,1128 5.122,1129 3.85,1130 3.895,1131 3.927,1132 3.802,1133 3.727,1134 5.01,1135 3.734,1136 3.744,1137 3.816,1138 3.617,1139 3.563,1140 4.631,1141 3.568,1142 3.432,1143 3.498,1144 3.598,1145 3.24,1146 4.573,1147 3.259,1148 3.322,1149 3.382,1150 3.363,1151 3.121,1152 4.364,1153 3.132,1154 3.184,1155 3.248,1156 3.25,1157 3.028,1158 4.281,1159 3.024,1160 3.111,1161 3.206,1162 3.111,1163 2.941,1164 4.158,1165 2.91,1166 0.12,1167 0.101,1168 0.173,1169 0.107,1170 0.082,1171 4.548,1172 0.118,1173 3.836,1174 0.052,1175 6.567,1176 0.275,1177 4.068,1178 0.078,1179 3.124,1180 4.478,1181 1.985,1182 10.461,1183 2.957,1184 1.974,1185 1.939,1186 2.055,1187 2.133,1188 1.391,1189 2.109,1190 1.887,1191 1.868,1192 2.032,1193 2.039,1194 1.27,1195 2.041,1196 1.844,1197 1.787,1198 1.957,1199 1.957,1200 1.164,1201 1.971,1202 1.717,1203 1.646,1204 1.923,1205 1.922,1206 1.057,1207 1.931,1208 1.364,1209 1.304,1210 1.537,1211 1.588,1212 0.83,1213 1.578,1214 1.26,1215 1.203,1216 1.513,1217 1.499,1218 0.825,1219 1.495,1220 1.153,1221 1.092,1222 1.509,1223 1.376,1224 0.662,1225 1.429,1226 1.153,1227 1.064,1228 1.39,1229 1.365,1230 0.592,1231 1.386,1232 4.344,1233 5.666,1235 7.194,1237 8.809,1239 10.469,1242 12.373,1247 7.263,1248 6.754,1251 -0.045,1252 4.077,1257 39.314,1258 101.702,1259 224.826,1260 289.436,1261 323.775,1262 331.775,1263 331.775,1264 58.638,1265 8.322,1266 86.28,1267 86.28,1268 30,1269 12.742,1270 4.248,1271 3.392,1272 49.998,1273 158,1274 166,1275 0.15,1276 245.895,1277 421.71,1278 591.744,1279 54305,1280 3.3,1281 23.493,1282 0.691,1283 0.598,1284 24.493,1285 20.318,1286 16.581,1287 0.436,1288 0.327,1289 11.561,1290 15.399,1291 11.322,1292 9.266,1293 17.158,1294 12.416,1295 14.865,1296 0.28,1297 0.179,1298 15.644,1299 9.495,1300 12.922,1301 0.182,1302 0.098,1303 13.538,1304 6.99,1305 10.687,1306 0.117,1307 0.054,1308 11.383,1309 4.956,1310 8.766,1311 0.074,1312 0.029,1313 9.124,1314 3.459,1315 0.238,1316 109.74,1317 0.196,1318 31.659,1319 0.404,1320 182,1321 509.034,1322 229.629,1323 553.413,1324 743.31,1325 518,1326 215,1327 506.193,1328 254.92,1329 528.944,1330 781.75,1331 500,1332 8.339}
{0 CHEMBL233047,1 1.505,2 13.222,3 5.497,4 30.22,5 119.034,6 7.329,7 0.429,8 4.076,9 4.223,10 3.616,11 3.586,12 5.06,13 3.527,14 4.633,15 4.857,16 3.955,17 3.95,18 5.563,19 3.851,20 4.889,21 5.149,22 4.03,23 4.107,24 5.724,25 3.974,26 4.948,27 5.203,28 4.029,29 4.138,30 5.81,31 3.962,32 5.042,33 5.356,34 3.691,35 4.08,36 5.737,37 3.868,38 4.937,39 5.264,40 3.738,41 3.944,42 5.68,43 3.76,44 4.679,45 4.959,46 3.715,47 3.824,48 5.532,49 3.677,50 4.617,51 4.9,52 3.749,53 3.728,54 5.534,55 3.605,56 0.042,57 0.803,58 12.61,59 4.878,60 8.275,61 7.226,62 0.268,63 1.212,64 25.007,65 8.16,66 25.878,67 12.108,68 0.326,69 1.398,70 36.719,71 10.338,72 30.738,73 15.516,74 0.456,75 1.451,76 43.303,77 11.818,78 44.118,79 17.224,80 0.357,81 1.48,82 41.047,83 12.705,84 37.445,85 19.037,86 0.44,87 1.291,88 39.418,89 10.592,90 42.992,91 16.362,92 0.284,93 1.104,94 29.184,95 8.438,96 30.036,97 12.661,98 0.389,99 1.024,100 28.56,101 6.787,102 37.617,103 10.956,104 36,105 36,106 0.252,107 0.556,108 0.762,109 0.851,110 0.851,111 0.851,112 3.338,113 1.101,114 -5.91,115 -5.77,116 -5.37,119 35.7,120 3,121 2,125 4,127 1,138 4,139 1,140 2,141 1,143 1,146 1,163 3,165 1,166 6,169 3,171 3,172 8,176 1,181 2,183 4,187 3,190 1,191 1,192 4,194 9,198 3,201 1,203 1,205 3,209 4,214 3,217 4,220 2,221 3,226 4,227 1,231 4,236 3,238 2,242 5,245 1,247 1,249 3,252 1252,253 18.154,254 18.154,255 18.154,256 18.154,257 18.154,258 16.602,259 29.154,260 10.9,261 18.847,262 13.66,263 13.66,264 13.66,265 13.66,266 13.66,267 11.368,268 44.465,269 4.986,270 14.804,271 4.302,272 2.486,273 1.251,274 0.719,275 0.719,276 0.719,277 4.005,279 2,282 1,283 1,284 724,285 4.062,288 207.028,295 2.288,296 18.962,299 0.75,300 0.67,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.8,307 57.167,308 357,309 4.234,310 3.268,311 6.06,312 3.796,313 2.863,314 3.881,315 0.8,316 8.714,317 2.644,318 4.065,319 3.03,320 5.995,321 3.69,322 2.753,323 3.668,324 0.657,325 8.388,326 2.578,327 3.752,328 2.837,329 5.595,330 3.601,331 2.682,332 2.787,333 0.4,334 7.729,335 2.46,336 3.48,337 2.736,338 5.007,339 3.078,340 2.175,341 2.753,343 6.015,344 1.959,345 3.359,346 2.362,347 4.935,348 2.95,349 2.053,350 2.61,352 5.745,353 1.765,354 2.851,355 1.999,356 4.197,357 2.646,358 1.683,359 1.981,361 3.876,362 1.615,363 2.738,364 1.782,365 4.17,366 2.379,367 1.477,368 1.801,370 3.765,371 1.257,372 2.653,373 1.417,374 3.557,375 2.233,376 1.289,377 1.677,379 2.8,380 1.207,381 2.236,382 1.194,383 3.427,384 2.09,385 1.131,386 1.227,388 2.457,389 1.082,390 1.964,391 0.994,392 3.237,393 1.667,394 0.747,395 0.882,397 1.735,398 0.666,399 1.618,400 0.744,401 2.787,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.428,409 0.494,410 2.618,411 1.294,412 0.344,413 0.365,415 0.728,416 0.326,417 1.26,418 0.43,419 2.546,420 0.863,426 0.811,427 0.256,428 2.359,429 0.652,430 -0.322,431 -0.329,433 -0.438,434 -0.293,435 0.792,436 -0.241,437 2.202,438 0.444,439 -0.51,440 -0.573,442 -1.135,443 -0.313,444 13.429,445 0.497,446 0.558,447 0.021,448 30.25,449 1.12,450 13,451 0.481,452 17.25,453 0.639,454 27.159,455 1.006,456 30.971,457 0.553,458 19.511,459 0.723,460 5.621,461 0.208,462 7.407,463 0.274,464 0.218,466 0.253,472 0.805,473 1.627,474 0.674,475 1.116,476 0.742,477 1.075,478 0.839,479 1.129,480 0.702,481 0.904,482 0.561,483 0.949,484 1.168,485 1.033,486 0.897,487 0.856,488 0.9,489 0.89,490 0.89,491 1.129,492 0.957,493 1.141,494 0.9,495 1.171,496 0.662,497 0.951,498 0.661,499 0.885,500 0.705,501 0.925,502 0.737,503 0.787,504 0.616,505 0.688,506 0.684,507 0.703,508 0.892,509 1.031,510 0.766,511 0.865,512 0.844,513 0.88,514 1.015,515 1.004,516 0.748,517 0.795,518 0.906,519 0.806,520 5.5,521 0.124,522 2.889,523 1.563,524 0.996,525 0.493,526 0.305,527 0.365,528 0.242,529 0.196,530 9488,531 24430,532 1.954,533 51.8,535 13,537 1,538 2,540 13,542 1.694,543 1.82,544 3.674,545 0.267,550 84.282,551 1.505,552 3.321,553 4.557,554 5.088,555 5.088,556 5.088,557 3.102,558 4.533,559 4.726,560 3.885,561 1363.49,562 8.169,563 19231,568 325.212,569 1.427,570 4.677,571 0.196,572 0.007,573 0.08,574 0.042,575 0.032,576 0.019,577 0.011,578 0.014,579 0.009,580 0.009,581 0.419,582 0.33,583 0.75,584 1.961,585 138.821,586 -0.028,587 -0.282,588 0.015,589 -0.085,590 -0.041,591 -0.036,592 0.105,593 0.048,594 0.065,595 0.043,596 0.22,597 0.021,598 -0.132,599 0.02,600 0.018,601 0.095,602 0.003,603 0.071,604 0.063,605 -0.096,606 -0.031,607 -0.162,608 0.046,609 -0.188,610 0.035,611 -0.039,612 0.052,613 0.023,614 -0.001,615 0.028,616 0.107,617 0.098,618 0.175,619 0.2,620 0.149,621 0.229,622 0.044,623 -0.028,624 0.071,625 0.059,626 0.068,627 0.071,628 0.101,629 0.019,630 0.125,631 0.09,632 0.143,633 0.109,634 1.035,635 2.096,636 0.444,637 30.337,638 0.994,639 1.139,640 4.68,641 21.905,642 0.654,643 3.367,644 3.611,645 3.784,646 3.892,647 3.97,648 3.912,649 3.892,650 4.007,651 4.094,652 4.143,653 7.886,654 0.6,655 410.44,656 3.367,657 4.86,658 5.659,659 6.485,660 7.295,661 8.122,662 8.937,663 9.765,664 10.582,665 11.411,666 8.9,669 1,671 2,676 2,681 5,682 2,686 5,688 12,697 2,702 2,703 56,705 12,706 1,707 28,709 57,710 20,711 10,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 10,730 10,747 29,748 5,749 2,750 7,751 2,755 5,760 1,771 1,776 2,792 1,796 2,801 3,802 2,805 27,810 6,811 2,814 1,815 1,824 2,832 14.833,833 10.636,834 6.306,835 3.756,836 2.212,837 1.326,838 0.931,839 9.456,840 8.992,841 3.555,842 4.043,843 4.483,844 4.905,845 5.339,846 5.279,847 5.316,848 5.642,849 6.018,850 6.344,851 0.889,852 37,853 9.947,854 3.92,855 7.57,856 19.408,857 15.072,859 2.07,860 55.889,864 317.82,865 101.334,866 72.717,867 78.297,871 101.334,872 396.117,873 72.717,874 26.476,875 13.492,876 37.905,877 81.364,878 22.359,879 4.227,880 306.049,881 78.297,882 317.82,883 174.051,885 78.297,887 164.795,888 153.024,891 54.038,892 50.42,893 147.89,895 317.82,896 72.717,897 179.631,900 317.82,901 27.906,902 76.552,903 36.022,904 111.868,905 317.82,906 72.717,907 179.631,909 0.562,910 0.328,911 0.162,912 0.072,913 13,914 7,915 0.193,916 11,918 1,919 3.977,920 199.369,922 12,923 124.382,928 22.06,929 11.574,930 7.359,932 72.717,933 9.078,934 8.798,938 3.643,940 36.022,941 570.168,942 34,952 55.643,953 63.777,954 0.259,955 0.572,956 0.785,957 0.876,958 0.876,959 0.876,960 4.754,961 1.289,962 5.609,963 3.765,964 4.29,965 4.727,966 1.145,967 6.319,968 4.131,969 5.904,970 1.131,971 7.116,972 2.8,973 3.761,974 4.388,975 0.325,976 7.05,977 3.428,978 7.167,979 0.747,980 8.718,981 2.457,982 5.796,983 6.778,984 0.634,985 10.043,986 5.49,987 8.462,988 0.618,989 10.375,990 1.735,991 6.066,992 7.217,993 0.268,994 11.558,995 5.594,996 9.787,997 0.344,998 12.066,999 0.791,1000 7.548,1001 9.113,1002 0.364,1003 14.045,1004 7.094,1005 11.131,1007 13.78,1008 0.728,1009 8.196,1010 9.929,1011 0.188,1012 15.89,1013 7.595,1014 12.49,1015 -0.322,1016 15.511,1018 9.436,1019 11.596,1020 0.215,1021 18.183,1022 8.83,1023 2.863,1024 -0.51,1025 17.254,1026 -0.438,1027 10.273,1028 12.62,1029 0.125,1030 20.179,1031 9.539,1032 2.753,1033 8.714,1034 19.005,1035 -1.135,1036 11.401,1037 14.161,1038 0.129,1039 22.389,1040 10.641,1041 2.682,1042 8.388,1043 20.763,1044 3.881,1045 12.332,1046 15.307,1047 0.082,1048 24.458,1049 11.461,1050 2.175,1051 7.729,1052 22.527,1053 3.668,1054 13.407,1055 16.772,1056 0.079,1057 26.632,1058 12.493,1059 2.053,1060 6.015,1061 24.296,1062 2.787,1063 14.386,1064 17.994,1065 0.054,1066 28.737,1067 13.373,1068 1.683,1069 5.745,1070 26.068,1071 2.753,1072 15.437,1073 19.412,1074 0.048,1075 30.895,1076 14.37,1077 1.477,1078 3.876,1079 27.843,1080 2.61,1081 16.44,1082 20.68,1083 0.035,1084 33.019,1085 15.283,1086 9613,1087 15843,1088 18.087,1089 36.643,1090 39.705,1091 40.49,1092 41.46,1093 40.003,1094 39.632,1095 48.497,1096 3.715,1097 105.485,1098 36.322,1099 5.169,1100 5.268,1101 5.747,1102 4.869,1103 4.863,1104 6.881,1105 1.457,1106 14.956,1107 4.644,1108 15.841,1109 1.418,1110 1.446,1111 1.481,1112 1.429,1113 1.415,1114 1.732,1115 0.133,1116 3.767,1117 1.297,1118 3.956,1119 3.998,1120 4.096,1121 3.889,1122 5.038,1123 3.88,1124 3.853,1125 3.902,1126 3.826,1127 3.694,1128 4.986,1129 3.707,1130 3.792,1131 3.855,1132 3.677,1133 3.619,1134 4.629,1135 3.629,1136 3.55,1137 3.631,1138 3.594,1139 3.376,1140 4.368,1141 3.364,1142 3.321,1143 3.411,1144 3.381,1145 3.128,1146 4.248,1147 3.12,1148 3.306,1149 3.407,1150 3.225,1151 3.123,1152 4.126,1153 3.089,1154 3.238,1155 3.319,1156 3.078,1157 3.075,1158 4.015,1159 3.057,1160 2.943,1161 3.045,1162 3.04,1163 2.798,1164 3.929,1165 2.771,1166 0.151,1167 0.117,1168 0.216,1169 0.136,1170 0.102,1171 4.234,1172 0.139,1173 3.268,1174 0.029,1175 6.06,1176 0.311,1177 3.796,1178 0.094,1179 2.863,1180 3.881,1181 0.8,1182 8.714,1183 2.644,1184 1.905,1185 1.885,1186 2.027,1187 2.025,1188 1.35,1189 2.022,1190 1.805,1191 1.741,1192 1.977,1193 1.983,1194 1.155,1195 1.995,1196 1.736,1197 1.68,1198 1.876,1199 1.917,1200 1.101,1201 1.912,1202 1.555,1203 1.476,1204 1.806,1205 1.761,1206 0.869,1207 1.789,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.868,1213 1.638,1214 1.321,1215 1.232,1216 1.654,1217 1.561,1218 0.799,1219 1.597,1220 1.215,1221 1.147,1222 1.454,1223 1.444,1224 0.604,1225 1.46,1226 0.934,1227 0.833,1228 1.302,1229 1.218,1230 0.46,1231 1.254,1232 4.043,1233 5.303,1235 6.751,1237 8.282,1239 9.853,1241 6.708,1242 12.139,1247 5.867,1248 6.583,1251 0.597,1252 2.475,1257 33.61,1258 84.282,1259 185.985,1260 255.173,1261 284.947,1262 284.947,1263 284.947,1264 52.1,1265 6.78,1266 53.08,1267 53.08,1268 12,1269 11.988,1270 3.7,1271 2.807,1272 58.865,1273 128,1274 110,1275 0.219,1276 220.903,1277 377.62,1278 530.764,1279 8215,1280 3.6,1281 19.648,1282 0.728,1283 0.66,1284 20.648,1285 17.816,1286 13.028,1287 0.465,1288 0.367,1289 9.477,1290 12.037,1291 9.102,1292 7.63,1293 13.606,1294 10.274,1295 10.97,1296 0.305,1297 0.204,1298 11.749,1299 7.338,1300 8.822,1301 0.205,1302 0.122,1303 9.437,1304 5.235,1305 6.762,1306 0.141,1307 0.073,1308 7.458,1309 3.496,1310 4.507,1311 0.087,1312 0.034,1313 4.865,1314 1.788,1315 0.359,1316 86.867,1317 0.235,1318 26.841,1319 0.559,1320 128,1321 338.008,1322 168.891,1323 391.99,1324 517.01,1325 366,1326 143,1327 333.852,1328 173.961,1329 357.551,1330 516.49,1331 337,1332 6.325}
{0 CHEMBL233261,1 1.546,2 13,3 5.703,4 32.528,5 128.606,6 7.341,7 0.4,8 4.152,9 4.306,10 3.69,11 3.617,12 5.153,13 3.57,14 4.709,15 4.944,16 4.037,17 3.98,18 5.678,19 3.892,20 4.938,21 5.198,22 4.102,23 4.133,24 5.801,25 4.013,26 5.008,27 5.273,28 4.139,29 4.15,30 5.917,31 3.999,32 5.043,33 5.344,34 3.88,35 4.09,36 5.825,37 3.937,38 4.979,39 5.273,40 3.97,41 4.032,42 5.842,43 3.911,44 4.909,45 5.182,46 3.923,47 4.049,48 5.772,49 3.922,50 4.977,51 5.265,52 3.993,53 4.049,54 5.843,55 3.897,56 0.039,57 0.874,58 13.638,59 4.811,60 9.184,61 7.462,62 0.413,63 1.27,64 27.238,65 8.389,66 33.906,67 12.595,68 0.333,69 1.432,70 38.24,71 10.126,72 33.515,73 15.836,74 0.601,75 1.483,76 45.917,77 11.35,78 53.078,79 17.192,80 0.437,81 1.494,82 40.635,83 10.548,84 42.859,85 17.16,86 0.557,87 1.421,88 39.817,89 8.77,90 50.378,91 15.155,92 0.413,93 1.401,94 34.505,95 9.113,96 38.375,97 14.755,98 0.501,99 1.375,100 39.365,101 9.991,102 49.331,103 16.416,104 52,105 39,106 0.255,107 0.534,108 0.743,109 0.837,110 0.85,111 0.85,112 3.407,113 1.081,114 -6,115 -5.85,116 -5.45,119 33.3,120 3,121 2,124 1,125 4,127 1,138 3,139 1,140 2,146 3,163 3,165 3,166 3,169 6,171 3,172 8,176 1,181 2,183 4,187 6,190 3,191 3,192 3,194 6,198 5,201 1,205 2,209 9,214 7,220 2,221 2,226 6,227 2,231 5,236 6,238 2,241 1,242 4,245 2,249 3,252 1560,253 19.419,254 19.419,255 19.419,256 19.419,257 19.419,258 17.894,259 35.478,260 11.576,261 20.255,262 14.609,263 14.609,264 14.609,265 14.609,266 14.609,267 12.239,268 60.197,269 5.292,270 15.972,271 4.361,272 2.669,273 1.397,274 0.83,275 0.75,276 0.75,277 4.073,279 2,283 1,284 762,285 4.243,288 222.449,295 2.207,296 22.561,299 0.75,300 0.67,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.8,307 62.167,308 377,309 4.244,310 3.269,311 6.061,312 3.806,313 2.881,314 3.887,315 0.8,316 8.723,317 2.647,318 4.191,319 2.975,320 5.812,321 3.726,322 2.814,323 3.835,324 0.657,325 8.396,326 2.556,327 3.534,328 2.785,329 5.282,330 3.403,331 2.471,332 2.792,333 0.4,334 6.716,335 2.308,336 3.475,337 2.752,338 5.224,339 3.289,340 2.36,341 2.691,342 0.4,343 6.591,344 2.186,345 3.427,346 2.562,347 5.01,348 3.052,349 2.162,350 2.598,352 5.988,353 1.897,354 3.343,355 2.325,356 4.938,357 2.915,358 2.028,359 2.449,361 5.74,362 1.759,363 3.068,364 2.027,365 4.69,366 2.784,367 1.86,368 2.131,370 5.125,371 1.697,372 2.845,373 1.915,374 4.17,375 2.367,376 1.466,377 1.976,379 3.761,380 1.243,381 2.14,382 1.208,383 3.378,384 2.1,385 1.124,386 1.136,388 2.354,389 1.095,390 1.968,391 1.028,392 3.27,393 1.681,394 0.764,395 0.891,397 1.778,398 0.68,399 1.618,400 0.744,401 2.84,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.584,409 0.71,410 2.797,411 1.336,412 0.435,413 0.485,415 0.641,416 0.391,417 1.264,418 0.438,419 2.618,420 1.117,421 0.155,422 0.159,424 0.279,425 0.149,426 1.204,427 0.293,428 2.611,429 0.857,435 0.963,436 0.256,437 2.359,438 0.726,439 -0.206,440 -0.231,442 -0.475,443 -0.191,444 14.229,445 0.491,446 0.643,447 0.022,448 32.75,449 1.129,450 13.5,451 0.466,452 19.25,453 0.664,454 30.102,455 1.038,456 33.771,457 0.563,458 22.783,459 0.786,460 6.118,461 0.211,462 7.825,463 0.27,464 0.241,466 0.274,472 0.868,473 1.779,474 0.685,475 1.178,476 0.79,477 1.104,478 0.732,479 0.935,480 0.686,481 0.848,482 0.497,483 0.908,484 1.111,485 1.163,486 0.893,487 0.918,488 0.927,489 0.921,490 0.862,491 1.034,492 0.913,493 1.053,494 0.913,495 1.072,496 0.932,497 1.031,498 0.716,499 0.849,500 0.893,501 0.894,502 1.043,503 1.001,504 0.748,505 0.797,506 0.87,507 0.825,508 1.08,509 1.037,510 0.788,511 0.866,512 0.971,513 0.955,514 0.639,515 1.136,516 0.66,517 0.988,518 0.624,519 0.973,520 7,521 0.194,522 2.444,523 2,524 1.227,525 0.861,526 0.509,527 0.458,528 0.258,529 0.306,530 10702,531 28368,532 1.938,533 51.7,535 15,538 3,540 13,542 1.719,543 1.794,544 3.649,545 0.96,550 92.743,551 1.546,552 3.238,553 4.51,554 5.077,555 5.157,556 5.157,557 3.125,558 4.651,559 4.825,560 3.853,561 1564.39,562 8.402,563 22635.7,568 354.413,569 1.475,570 4.773,571 0.233,572 0.007,573 0.063,574 0.05,575 0.034,576 0.026,577 0.015,578 0.013,579 0.008,580 0.011,581 0.46,582 0.17,583 0.75,584 1.981,585 150.86,586 -0.054,587 -0.378,588 0.016,589 -0.117,590 -0.065,591 -0.051,592 0.242,593 0.249,594 0.095,595 0.102,596 0.321,597 0.062,598 -0.115,599 -0.106,600 0.03,601 0.054,602 -0.006,603 0.058,604 0.15,605 -0.001,606 0.031,607 -0.085,608 0.1,609 -0.099,610 -0.064,611 -0.06,612 0.024,613 0.036,614 -0.061,615 0.039,616 -0.02,617 -0.002,618 0.056,619 0.069,620 0.067,621 0.087,622 -0.125,623 0.037,624 -0.033,625 0.031,626 -0.083,627 -0.019,628 0.207,629 -0.157,630 0.127,631 -0.063,632 0.196,633 -0.014,634 1.187,635 2.129,636 0.414,637 34.062,638 0.997,639 1.146,640 4.773,641 22.783,642 0.644,643 3.434,644 3.689,645 3.85,646 4.007,647 4.143,648 4.174,649 4.159,650 4.234,651 4.29,652 4.382,653 7.712,654 0.594,655 440.48,656 3.434,657 4.934,658 5.733,659 6.569,660 7.383,661 8.225,662 9.045,663 9.89,664 10.715,665 11.563,666 11.7,669 1,671 3,676 3,679 1,681 3,682 3,686 6,688 12,697 3,702 2,703 60,705 12,706 1,707 30,709 61,710 20,711 9,712 3,713 3,717 2,718 2,719 2,721 3,727 3,729 9,730 11,747 31,748 7,749 3,750 9,751 2,755 7,760 1,776 2,792 1,796 2,801 4,802 2,805 29,810 6,811 3,814 1,815 1,824 2,832 16.167,833 11.669,834 6.778,835 3.949,836 2.195,837 1.317,838 0.927,839 10.217,840 9.12,841 3.611,842 4.111,843 4.554,844 5.022,845 5.475,846 5.533,847 5.584,848 5.858,849 6.178,850 6.538,851 0.889,852 40,853 10.677,854 4.201,855 7.605,856 20.685,857 15.891,859 2.105,860 61.056,864 329.591,865 92.677,866 107.513,867 78.297,871 92.677,872 407.888,873 107.513,874 34.872,875 13.492,876 28.429,877 104.389,878 13.311,879 5.697,880 329.591,881 78.297,882 329.591,883 200.19,885 78.297,887 176.567,888 153.024,891 48.789,892 47.012,893 182.686,895 329.591,896 107.513,897 170.974,900 329.591,901 29.376,902 66.425,903 54.032,904 128.654,905 329.591,906 107.513,907 170.974,909 0.562,910 0.322,911 0.16,912 0.08,913 14,914 8,915 0.197,916 12,918 1,919 4.065,920 225.163,922 12,923 136.881,928 23.937,929 12.379,930 8.13,932 107.513,933 5.415,934 13.277,938 3.66,940 54.032,941 608.078,942 36,952 59.847,953 68.774,954 0.262,955 0.548,956 0.764,957 0.86,958 0.873,959 0.873,960 4.82,961 1.466,962 5.694,963 5.125,964 4.369,965 4.796,966 1.242,967 6.409,968 4.192,969 5.98,970 1.124,971 7.2,972 3.761,973 3.892,974 4.543,975 0.325,976 7.111,977 3.547,978 7.251,979 0.764,980 8.794,981 2.354,982 5.883,983 6.867,984 0.661,985 10.101,986 5.542,987 8.552,988 0.618,989 10.436,990 1.778,991 6.155,992 7.368,993 0.268,994 11.536,995 5.647,996 9.881,997 0.435,998 12.107,999 0.791,1000 7.618,1001 9.222,1002 0.37,1003 14.044,1004 7.109,1005 11.227,1006 0.155,1007 13.798,1008 0.641,1009 8.252,1010 10.094,1011 0.188,1012 15.825,1013 7.59,1014 12.59,1016 15.502,1017 0.279,1018 9.486,1019 11.734,1020 0.216,1021 18.138,1022 8.804,1023 2.881,1024 -0.206,1025 17.218,1027 10.311,1028 12.809,1029 0.125,1030 20.097,1031 9.49,1032 2.814,1033 8.723,1034 18.943,1035 -0.475,1036 11.438,1037 14.333,1038 0.129,1039 22.323,1040 10.579,1041 2.471,1042 8.396,1043 20.676,1044 3.887,1045 12.365,1046 15.524,1047 0.082,1048 24.375,1049 11.38,1050 2.36,1051 6.716,1052 22.416,1053 3.835,1054 13.444,1055 16.979,1056 0.079,1057 26.561,1058 12.404,1059 2.162,1060 6.591,1061 24.161,1062 2.792,1063 14.425,1064 18.237,1065 0.054,1066 28.661,1067 13.271,1068 2.028,1069 5.988,1070 25.912,1071 2.691,1072 15.482,1073 19.651,1074 0.048,1075 30.829,1076 14.261,1077 1.86,1078 5.74,1079 27.668,1080 2.598,1081 16.492,1082 20.947,1083 0.035,1084 32.954,1085 15.166,1086 10914,1087 18204,1088 19.186,1089 38.654,1090 42.208,1091 43.177,1092 44.599,1093 42.675,1094 42.276,1095 51.294,1096 4.515,1097 113.765,1098 38.413,1099 5.18,1100 5.269,1101 5.679,1102 4.906,1103 4.881,1104 6.887,1105 1.457,1106 14.966,1107 4.647,1108 17.95,1109 1.407,1110 1.439,1111 1.487,1112 1.423,1113 1.409,1114 1.71,1115 0.15,1116 3.792,1117 1.28,1118 3.955,1119 4.003,1120 4.096,1121 3.887,1122 5.099,1123 3.878,1124 3.855,1125 3.902,1126 3.843,1127 3.673,1128 5.006,1129 3.687,1130 3.765,1131 3.841,1132 3.644,1133 3.541,1134 4.629,1135 3.571,1136 3.602,1137 3.682,1138 3.595,1139 3.416,1140 4.365,1141 3.414,1142 3.354,1143 3.454,1144 3.45,1145 3.129,1146 4.303,1147 3.13,1148 3.306,1149 3.407,1150 3.254,1151 3.123,1152 4.278,1153 3.089,1154 3.281,1155 3.374,1156 3.112,1157 3.082,1158 4.114,1159 3.065,1160 3.173,1161 3.263,1162 3.04,1163 2.965,1164 3.972,1165 2.957,1166 0.141,1167 0.109,1168 0.202,1169 0.127,1170 0.096,1171 4.244,1172 0.13,1173 3.269,1174 0.027,1175 6.061,1176 0.291,1177 3.806,1178 0.088,1179 2.881,1180 3.887,1181 0.8,1182 8.723,1183 2.647,1184 1.901,1185 1.882,1186 2.018,1187 2.031,1188 1.339,1189 2.017,1190 1.792,1191 1.725,1192 1.971,1193 1.971,1194 1.152,1195 1.986,1196 1.684,1197 1.61,1198 1.896,1199 1.921,1200 1.123,1201 1.912,1202 1.581,1203 1.505,1204 1.756,1205 1.804,1206 0.869,1207 1.817,1208 1.351,1209 1.256,1210 1.725,1211 1.597,1212 0.855,1213 1.638,1214 1.306,1215 1.211,1216 1.645,1217 1.584,1218 0.729,1219 1.609,1220 1.289,1221 1.203,1222 1.575,1223 1.526,1224 0.669,1225 1.564,1226 1.15,1227 1.066,1228 1.394,1229 1.399,1230 0.438,1231 1.415,1232 4.111,1233 5.38,1235 6.83,1237 8.364,1239 9.943,1241 8.32,1242 12.196,1247 5.933,1248 9.565,1251 0.26,1252 2.429,1257 35.653,1258 92.743,1259 194.278,1260 270.6,1261 304.639,1262 309.394,1263 309.394,1264 58.684,1265 6.925,1266 78,1267 78,1268 12,1269 12.127,1270 3.7,1271 2.807,1272 65.632,1273 132,1274 132,1275 0.236,1276 234.492,1277 399.62,1278 563.92,1279 9282,1280 3.3,1281 21.225,1282 0.732,1283 0.659,1284 22.225,1285 19.109,1286 13.943,1287 0.465,1288 0.36,1289 9.972,1290 12.822,1291 9.557,1292 8.047,1293 14.521,1294 10.808,1295 11.901,1296 0.305,1297 0.198,1298 12.68,1299 7.704,1300 9.332,1301 0.203,1302 0.115,1303 9.948,1304 5.279,1305 7.21,1306 0.134,1307 0.063,1308 7.906,1309 3.399,1310 5.146,1311 0.083,1312 0.031,1313 5.505,1314 1.913,1315 0.38,1316 93.269,1317 0.228,1318 28.172,1319 0.622,1320 138,1321 383.986,1322 182.943,1323 435.147,1324 576.74,1325 406,1326 154,1327 381.359,1328 188.624,1329 404.669,1330 587.48,1331 380,1332 5.444}
{0 CHEMBL245313,1 1.595,2 15.297,3 4.57,4 20.882,5 144.953,6 7.376,7 0.415,8 4.347,9 4.46,10 4.025,11 3.93,12 5.331,13 3.875,14 4.955,15 5.132,16 4.367,17 4.36,18 6.055,19 4.284,20 5.275,21 5.488,22 4.491,23 4.56,24 6.281,25 4.444,26 5.4,27 5.62,28 4.471,29 4.541,30 6.5,31 4.433,32 5.396,33 5.639,34 4.373,35 4.493,36 6.545,37 4.369,38 5.311,39 5.554,40 4.349,41 4.494,42 6.238,43 4.353,44 5.354,45 5.599,46 4.292,47 4.487,48 6.463,49 4.344,50 5.29,51 5.545,52 4.109,53 4.397,54 6.214,55 4.242,56 0.063,57 1.109,58 18.209,59 7.356,60 16.323,61 9.3,62 0.427,63 1.882,64 32.167,65 12.276,66 56.48,67 16.159,68 0.4,69 2.461,70 50.883,71 18.333,72 65.484,73 23.058,74 0.673,75 2.569,76 59.5,77 19.531,78 128.054,79 24.296,80 1.035,81 2.432,82 56.821,83 18.565,84 187.747,85 24.14,86 0.508,87 2.332,88 54.815,89 18.662,90 86.376,91 24.289,92 0.928,93 2.369,94 55.995,95 18.942,96 166.084,97 24.801,98 0.498,99 2.177,100 51.529,101 17.877,102 101.132,103 23.926,104 26,105 59,106 0.248,107 0.518,108 0.713,109 0.84,110 0.858,111 0.858,112 3.642,113 1.062,114 -4.94,115 -4.85,116 -4.54,119 40.8,121 5,124 1,125 4,127 2,138 11,139 3,140 2,151 1,163 15,165 4,166 7,172 18,175 2,176 9,183 12,186 1,187 16,194 7,197 4,198 10,205 9,208 1,209 9,217 10,220 1,221 13,227 8,231 8,238 8,241 2,242 6,249 7,252 2816,253 24.893,254 24.893,255 24.893,256 24.893,257 24.893,258 22.485,259 26.891,260 14.456,261 25.343,262 20.176,263 20.176,264 20.176,265 20.176,266 20.176,267 16.474,268 33.841,269 6.806,270 20.921,271 4.554,272 2.819,273 1.561,274 0.743,275 0.63,276 0.63,277 4.343,283 1,284 1244,285 4.301,287 113.826,288 482.876,292 179.275,295 2.538,296 53.288,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 80,308 566,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.022,322 3.05,323 4.374,324 0.8,325 10.275,326 2.97,327 4.158,328 3.192,329 6.457,330 3.93,331 2.963,332 3.445,333 0.624,334 9.936,335 2.844,336 3.904,337 2.959,338 6.008,339 3.595,340 2.634,341 3.323,342 0.375,343 8.262,344 2.549,345 3.661,346 2.793,347 5.44,348 3.494,349 2.511,350 2.91,352 7.163,353 2.452,354 3.49,355 2.651,356 5.331,357 3.24,358 2.308,359 2.659,361 6.699,362 2.14,363 3.334,364 2.468,365 5.205,366 2.985,367 2.021,368 2.5,370 6.07,371 1.934,372 3.161,373 2.306,374 4.992,375 2.758,376 1.776,377 2.338,379 5.257,380 1.732,381 2.961,382 1.665,383 4.553,384 2.611,385 1.613,386 2.107,388 4.225,389 1.608,390 2.9,391 1.595,392 4.108,393 2.489,394 1.492,395 2.052,397 3.632,398 1.486,399 2.824,400 1.499,401 3.943,402 2.385,403 1.393,404 1.836,406 3.153,407 1.378,408 2.5,409 1.321,410 3.638,411 2.011,412 1.047,413 1.5,415 2.654,416 1.006,417 2.368,418 1.206,419 3.481,420 2,421 1,422 1.307,424 2.275,425 1,426 2.069,427 1.089,428 3.414,429 1.984,430 1,431 1.06,433 2.152,434 0.983,435 2,436 1.077,437 3.352,438 1.899,439 0.926,440 1,442 2.136,443 0.893,444 17.819,445 0.482,446 1.003,447 0.027,448 44,449 1.189,450 20.5,451 0.554,452 23.5,453 0.635,454 38.353,455 1.037,456 40.981,457 0.577,458 37.302,459 1.008,460 8.23,461 0.222,462 9.611,463 0.26,464 0.1,465 0.047,466 0.292,470 1,472 0.497,473 1.293,474 0.821,475 1.243,476 0.541,477 1.036,478 0.664,479 1.015,480 0.862,481 0.929,482 0.507,483 0.959,484 0.876,485 1.056,486 1.132,487 1.141,488 0.749,489 1.034,490 1.364,491 1.077,492 1.172,493 1.132,494 1.452,495 1.045,496 1.239,497 0.84,498 0.979,499 0.826,500 1.289,501 0.904,502 0.785,503 0.929,504 1.062,505 1.088,506 0.748,507 1.004,508 0.893,509 0.829,510 1.072,511 1.001,512 0.912,513 0.998,514 0.922,515 0.966,516 1.019,517 1.056,518 0.999,519 1.05,520 7.5,521 0.255,522 5.556,523 2.868,524 2.645,525 1.577,526 0.884,527 0.688,528 0.457,529 0.348,530 23318,531 57607,532 2.093,533 47.9,535 24,540 6,541 4,542 1.778,543 1.956,544 3.863,545 -0.778,550 113.267,551 1.595,552 3.331,553 4.589,554 5.407,555 5.519,556 5.519,557 3.398,558 4.885,559 5.174,560 4.057,561 2701.79,562 9.093,563 44764.9,568 436.632,569 1.531,570 5.134,571 0.183,572 0.007,573 0.094,574 0.046,575 0.045,576 0.029,577 0.017,578 0.013,579 0.011,580 0.009,581 0.454,582 0.17,583 0.75,584 0.531,585 205.727,586 0.081,587 -0.172,588 0.189,589 -0.079,590 -0.054,591 0.009,592 0.13,593 0.043,594 0.059,595 0.06,596 0.135,597 0.015,598 -0.009,599 -0.03,600 -0.022,601 -0.059,602 0.038,603 -0.035,604 -0.118,605 -0.112,606 -0.074,607 -0.11,608 -0.114,609 -0.081,610 -0.013,611 0.063,612 0.011,613 0.102,614 0.013,615 0.04,616 0.004,617 -0.058,618 0.013,619 -0.054,620 0.012,621 -0.007,622 0.102,623 0.064,624 -0.044,625 -0.013,626 0.118,627 -0.019,628 -0.054,629 -0.131,630 -0.056,631 -0.092,632 -0.075,633 -0.058,634 4.805,635 6.563,636 0.73,637 50.621,638 1,639 1.127,640 3.711,641 13.768,642 0.664,643 3.738,644 4.094,645 4.394,646 4.625,647 4.828,648 4.898,649 5.017,650 5.1,651 5.247,652 5.293,653 8.716,654 0.623,655 523.73,656 3.738,657 5.303,658 6.172,659 7.062,660 7.946,661 8.842,662 9.733,663 10.633,664 11.53,665 12.434,666 4.2,669 2,673 1,680 2,681 11,686 3,688 17,702 1,703 71,705 20,706 3,707 41,709 75,710 29,711 16,712 5,713 11,717 5,718 6,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,745 1,747 34,748 7,750 8,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,803 1,805 37,808 1,810 9,814 2,815 3,824 1,825 4.2,828 3,832 18.917,833 12.743,834 8,835 4.519,836 2.993,837 1.354,838 0.993,839 7.736,840 11.438,841 3.98,842 4.575,843 5.104,844 5.599,845 6.124,846 6.375,847 6.775,848 7.022,849 7.393,850 7.331,851 1,852 63,853 14.228,854 6.598,855 7.827,856 26.867,857 23.325,859 2.327,860 86.083,864 400.217,865 163.246,866 7.767,868 69.458,869 14.96,870 5.807,871 157.438,872 469.675,873 22.727,874 8.396,875 24.22,876 110.046,877 74.163,878 23.646,879 14.96,880 400.217,882 400.217,883 165.206,884 84.418,885 5.807,887 297.467,888 187.169,891 28.863,892 136.343,893 5.807,895 415.178,896 77.225,897 163.246,899 5.807,900 400.217,901 44.803,902 120.402,904 84.418,905 400.217,906 92.185,907 163.246,909 0.592,910 0.357,911 0.184,912 0.095,913 29,914 13,915 0.093,916 7,917 1,918 1.074,919 4.724,920 362.913,921 0.074,922 27,923 180.75,927 1,928 26.002,929 11.008,930 5.488,931 0.907,932 92.185,933 19.523,938 1.041,941 655.649,942 52.5,945 -3.889,946 40.666,950 -0.129,952 71.014,953 80.026,954 0.259,955 0.542,956 0.746,957 0.879,958 0.897,959 0.897,960 5.248,961 1.776,962 6.188,963 6.07,964 4.779,965 5.263,966 2.253,967 7.062,968 4.705,969 6.462,970 1.613,971 7.798,972 5.257,973 4.511,974 5.278,975 1.738,976 8.277,977 4.342,978 7.801,979 1.492,980 9.525,981 4.225,982 6.466,983 7.524,984 3.107,985 11.387,986 6.293,987 9.185,988 1.393,989 11.328,990 3.632,991 7.057,992 8.416,993 3.217,994 13.487,995 6.776,996 10.611,997 1.047,998 13.182,999 3.153,1000 8.509,1001 10.198,1002 4.292,1003 16.217,1004 8.209,1005 12.068,1006 1,1007 15.073,1008 2.654,1009 9.468,1010 11.462,1011 4.678,1012 18.646,1013 9.063,1014 13.549,1015 1,1016 16.993,1017 2.275,1018 10.756,1019 13.09,1020 5.58,1021 21.29,1022 10.309,1023 3.57,1024 0.926,1025 18.935,1026 2.152,1027 11.874,1028 14.514,1029 6.104,1030 23.844,1031 11.329,1032 3.05,1033 13.988,1034 20.895,1035 2.136,1036 13.117,1037 16.088,1038 6.909,1039 26.473,1040 12.511,1041 2.963,1042 10.275,1043 22.869,1044 4.797,1045 14.305,1046 17.581,1047 7.507,1048 29.074,1049 13.607,1050 2.634,1051 9.936,1052 24.856,1053 4.374,1054 15.541,1055 19.136,1056 8.258,1057 31.704,1058 14.77,1059 2.511,1060 8.262,1061 26.852,1062 3.445,1063 16.764,1064 20.661,1065 8.895,1066 34.326,1067 15.903,1068 2.308,1069 7.163,1070 28.857,1071 3.323,1072 18.005,1073 22.212,1074 9.617,1075 36.958,1076 17.064,1077 2.021,1078 6.699,1079 30.868,1080 2.91,1081 19.245,1082 23.752,1083 10.276,1084 39.588,1085 18.217,1086 21677,1087 34413,1088 27.334,1089 47.148,1090 62.195,1091 64.175,1092 63.84,1093 62.401,1094 62.199,1095 78.425,1096 7.57,1097 184.534,1098 60.067,1099 5.96,1100 6.734,1101 7.538,1102 5.575,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 17.898,1109 1.517,1110 1.565,1111 1.557,1112 1.522,1113 1.517,1114 1.913,1115 0.185,1116 4.501,1117 1.465,1118 4.171,1119 4.17,1120 4.747,1121 4.147,1122 8.201,1123 4.098,1124 3.966,1125 4.011,1126 3.991,1127 3.873,1128 7.715,1129 3.865,1130 3.929,1131 3.956,1132 3.868,1133 3.858,1134 7.427,1135 3.818,1136 3.84,1137 3.883,1138 3.776,1139 3.711,1140 6.999,1141 3.699,1142 3.653,1143 3.656,1144 3.62,1145 3.552,1146 4.814,1147 3.519,1148 3.475,1149 3.549,1150 3.344,1151 3.279,1152 4.751,1153 3.281,1154 3.292,1155 3.359,1156 3.258,1157 3.192,1158 4.367,1159 3.151,1160 3.276,1161 3.297,1162 3.119,1163 3.1,1164 4.255,1165 3.098,1166 0.121,1167 0.115,1168 0.189,1169 0.11,1170 0.087,1171 4.96,1172 0.117,1173 4.734,1174 0.048,1175 7.737,1176 0.341,1177 4.499,1178 0.081,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.088,1185 2.084,1186 2.13,1187 2.139,1188 1.43,1189 2.157,1190 1.93,1191 1.895,1192 2.083,1193 2.065,1194 1.321,1195 2.073,1196 1.839,1197 1.789,1198 2.017,1199 1.981,1200 1.225,1201 1.996,1202 1.714,1203 1.728,1204 1.858,1205 1.859,1206 1.204,1207 1.88,1208 1.609,1209 1.555,1210 1.73,1211 1.782,1212 1.065,1213 1.811,1214 1.457,1215 1.393,1216 1.657,1217 1.659,1218 0.897,1219 1.683,1220 1.378,1221 1.319,1222 1.609,1223 1.547,1224 0.825,1225 1.573,1226 1.24,1227 1.183,1228 1.545,1229 1.468,1230 0.755,1231 1.504,1232 4.419,1233 5.765,1234 2.398,1235 7.313,1236 4.595,1237 8.947,1238 6.629,1239 10.628,1241 1.814,1243 14.081,1247 7.093,1251 -0.594,1252 5.57,1257 44.208,1258 113.267,1259 236.483,1260 325.823,1261 383.877,1262 391.877,1263 391.877,1264 99.415,1265 8.445,1266 60.93,1267 69.31,1268 29,1269 12.955,1270 4.392,1271 3.644,1272 57.035,1273 190,1274 222,1275 0.142,1276 270.336,1277 475.95,1278 651.379,1279 69055,1280 1.4,1281 25.993,1282 0.703,1283 0.596,1284 25.373,1285 22.039,1286 17.841,1287 0.435,1288 0.354,1289 13.046,1290 16.49,1291 12.647,1292 10.395,1293 18.219,1294 14.515,1295 16.445,1296 0.279,1297 0.204,1298 17.218,1299 12.045,1300 14.431,1301 0.18,1302 0.123,1303 15.279,1304 9.81,1305 11.574,1306 0.115,1307 0.073,1308 12.4,1309 7.357,1310 9.016,1311 0.073,1312 0.043,1313 10.079,1314 5.279,1315 0.228,1316 119.128,1317 0.191,1318 34.168,1319 0.375,1320 200,1321 585.113,1322 257.484,1323 559.988,1324 753.19,1325 518,1326 239,1327 516.285,1328 306.907,1329 554.846,1330 816.62,1331 522,1332 6.071}
{0 CHEMBL245319,1 1.538,2 14.5,3 3.837,4 14.723,5 135.085,6 7.349,7 0.447,8 4.262,9 4.374,10 3.952,11 3.864,12 5.222,13 3.805,14 4.861,15 5.029,16 4.282,17 4.295,18 5.96,19 4.21,20 5.187,21 5.403,22 4.367,23 4.477,24 6.137,25 4.343,26 5.28,27 5.512,28 4.34,29 4.417,30 6.323,31 4.3,32 5.194,33 5.413,34 4.249,35 4.345,36 6.421,37 4.236,38 5.134,39 5.359,40 4.177,41 4.358,42 6.114,43 4.221,44 5.193,45 5.443,46 4.092,47 4.342,48 6.107,49 4.185,50 5.122,51 5.379,52 3.934,53 4.207,54 6.062,55 4.055,56 0.089,57 0.957,58 17.046,59 6.645,60 15.228,61 8.483,62 0.41,63 1.643,64 29.091,65 11.25,66 55.281,67 14.906,68 0.382,69 2.157,70 47.119,71 16.913,72 56.009,73 21.526,74 0.602,75 2.194,76 53.882,77 17.331,78 95.317,79 21.876,80 0.875,81 1.968,82 46.153,83 15.32,84 164.31,85 19.482,86 0.409,87 1.945,88 42.976,89 15.527,90 74.463,91 20.149,92 0.44,93 2.019,94 47.794,95 16.7,96 72.289,97 21.776,98 0.483,99 1.821,100 44.605,101 14.871,102 83.732,103 19.706,104 10,105 54,106 0.243,107 0.519,108 0.682,109 0.814,110 0.844,111 0.854,112 3.56,113 1.067,114 -4.18,115 -4.12,116 -3.9,119 41.5,121 4,125 4,127 2,138 12,139 3,140 1,151 1,163 16,165 3,166 5,169 1,171 2,172 19,175 1,176 9,179 1,181 1,183 13,187 15,190 1,192 1,194 6,197 2,198 9,201 2,205 11,208 1,209 8,214 3,217 10,220 1,221 10,226 4,227 6,231 4,236 4,238 8,241 2,242 5,247 3,249 7,252 2220,253 23.134,254 23.134,255 23.134,256 23.134,257 23.134,258 20.746,259 24.96,260 13.661,261 23.473,262 18.785,263 18.785,264 18.785,265 18.785,266 18.785,267 15.154,268 36.546,269 6.507,270 19.349,271 4.484,272 2.736,273 1.706,274 0.867,275 0.677,276 0.615,277 4.267,283 1,284 1094,285 3.873,287 102.263,288 432.556,292 161.945,295 2.294,296 41.033,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 72.5,308 493,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.897,322 2.908,323 4.25,324 0.916,325 9.495,326 2.88,327 3.997,328 3.02,329 6.136,330 3.754,331 2.779,332 3.457,333 0.465,334 8.963,335 2.695,336 3.935,337 2.868,338 5.625,339 3.643,340 2.677,341 3.166,342 0.172,343 7.792,344 2.588,345 3.572,346 2.683,347 5.444,348 3.415,349 2.435,350 2.651,351 0.132,352 7.061,353 2.379,354 3.305,355 2.546,356 5.204,357 3.042,358 2.098,359 2.558,361 6.01,362 1.972,363 3.144,364 2.241,365 4.947,366 2.809,367 1.82,368 2.427,370 5.491,371 1.788,372 3.118,373 1.698,374 4.466,375 2.618,376 1.618,377 2.23,379 4.407,380 1.618,381 2.926,382 1.618,383 4.334,384 2.578,385 1.577,386 2.043,388 3.998,389 1.574,390 2.828,391 1.519,392 3.727,393 2.406,394 1.413,395 1.941,397 3.038,398 1.402,399 2.778,400 1.396,401 3.601,402 2.334,403 1.336,404 1.797,406 2.962,407 1.332,408 2.5,409 1.21,410 3.584,411 2,412 1,413 1.5,415 2.275,416 1,417 2.16,418 1.077,419 3.414,420 1.984,421 1,422 1.002,424 2.155,425 0.983,426 2,427 1,428 3.397,429 1.811,430 0.838,431 1,433 2.136,434 0.812,435 1.936,436 0.982,437 3.247,438 1.755,439 0.777,440 0.868,442 1.984,443 0.755,444 16.533,445 0.486,446 0.841,447 0.025,448 42,449 1.235,450 20.5,451 0.603,452 21.5,453 0.632,454 32.215,455 0.948,456 36.867,457 0.567,458 33.355,459 0.981,460 7.817,461 0.23,462 8.687,463 0.255,464 0.06,465 0.05,466 0.26,472 0.524,473 1.339,474 0.842,475 1.199,476 0.577,477 0.995,478 0.672,479 1.116,480 0.901,481 0.971,482 0.513,483 1.008,484 0.915,485 1.1,486 1.18,487 1.156,488 0.786,489 1.055,490 1.493,491 1.01,492 1.141,493 1.054,494 1.583,495 0.948,496 1.575,497 0.91,498 1.06,499 0.875,500 1.684,501 0.928,502 1.109,503 1.085,504 1.09,505 1.077,506 1.084,507 1.067,508 1.071,509 1.011,510 1.118,511 1.071,512 1.033,513 1.025,514 1.289,515 0.999,516 1.072,517 0.997,518 1.341,519 0.978,520 7,521 0.199,522 4.222,523 2.306,524 2.384,525 1.038,526 0.799,527 0.594,528 0.315,529 0.224,530 18965,531 43758,532 2.138,533 47.7,535 22,538 1,540 4,541 4,542 1.757,543 2.03,544 3.789,545 -0.392,550 99.982,551 1.538,552 3.286,553 4.316,554 5.155,555 5.345,556 5.407,557 3.268,558 4.735,559 5.055,560 3.965,561 2224.49,562 8.848,563 34641.5,568 391.454,569 1.396,570 5.027,571 0.184,572 0.007,573 0.078,574 0.042,575 0.046,576 0.021,577 0.017,578 0.014,579 0.009,580 0.007,581 0.425,582 0.33,583 0.75,584 0.459,585 184.184,586 0.107,587 -0.145,588 0.202,589 -0.055,590 -0.079,591 0.029,592 0.212,593 0.024,594 0.03,595 0.015,596 0.183,597 -0.043,598 0.003,599 -0.033,600 -0.045,601 -0.075,602 0.023,603 -0.062,604 -0.099,605 -0.015,606 -0.009,607 -0.034,608 -0.122,609 0.01,610 0.018,611 0.067,612 -0.041,613 0.072,614 0.062,615 0.005,616 -0.059,617 -0.084,618 -0.075,619 -0.077,620 -0.03,621 -0.087,622 -0.058,623 -0.038,624 -0.065,625 -0.064,626 -0.029,627 -0.039,628 -0.116,629 -0.062,630 -0.057,631 -0.033,632 -0.107,633 -0.007,634 4.661,635 6.441,636 0.794,637 42.069,638 0.996,639 1.121,640 2.952,641 8.715,642 0.672,643 3.664,644 4.007,645 4.29,646 4.543,647 4.754,648 4.771,649 4.905,650 5.03,651 5.124,652 5.159,653 8.213,654 0.627,655 477.68,656 3.664,657 5.22,658 6.08,659 6.967,660 7.843,661 8.735,662 9.619,663 10.514,664 11.404,665 12.302,666 4.6,669 2,673 1,680 2,681 12,686 2,688 17,703 65,705 20,706 3,707 38,709 69,710 27,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 10,733 3,736 1,737 3,741 1,747 31,748 6,749 1,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,783 1,792 1,796 4,799 1,805 34,808 1,810 8,811 1,814 2,815 2,825 4.6,828 3,832 16.75,833 11.233,834 7.333,835 4.111,836 3.01,837 1.364,838 1.006,839 6.803,840 11.287,841 3.922,842 4.511,843 5.024,844 5.536,845 6.073,846 6.278,847 6.662,848 6.957,849 7.281,850 7.166,851 0.9,852 55,853 13.016,854 5.996,855 7.718,856 24.847,857 21.662,859 2.218,860 75.417,864 353.133,865 152.67,866 22.654,868 69.458,870 5.807,871 146.863,872 422.591,873 22.654,875 36.572,876 119.522,877 74.163,878 14.525,880 353.133,882 353.133,883 169.516,884 69.458,885 5.807,887 258.964,888 163.627,891 41.215,892 128.302,893 5.807,895 353.133,896 92.112,897 152.67,899 5.807,900 353.133,901 33.148,902 118.358,903 18.011,904 69.458,905 353.133,906 92.112,907 152.67,909 0.586,910 0.346,911 0.186,912 0.1,913 27,914 11,915 0.087,916 6,917 1,918 1.074,919 4.565,920 322.091,921 0.074,922 27,923 162.974,927 1,928 23.196,929 9.971,930 5.113,931 1.877,932 92.112,933 23.303,938 1.547,940 18.011,941 597.915,942 49.5,945 -3.744,946 40.038,950 -0.164,952 64.734,953 72.856,954 0.255,955 0.546,956 0.717,957 0.856,958 0.888,959 0.898,960 5.178,961 1.618,962 6.084,963 5.491,964 4.691,965 5.198,966 2.242,967 6.94,968 4.629,969 6.384,970 1.577,971 7.676,972 4.407,973 4.369,974 5.173,975 1.668,976 8.138,977 4.224,978 7.716,979 1.413,980 9.387,981 3.998,982 6.358,983 7.453,984 3.075,985 11.244,986 6.202,987 9.093,988 1.336,989 11.179,990 3.038,991 6.909,992 8.316,993 3.135,994 13.363,995 6.645,996 10.514,997 1,998 13.028,999 2.962,1000 8.384,1001 10.119,1002 4.217,1003 16.097,1004 8.098,1005 11.968,1006 1,1007 14.919,1008 2.275,1009 9.324,1010 11.368,1011 4.564,1012 18.553,1013 8.926,1014 13.447,1015 0.838,1016 16.842,1017 2.155,1018 10.625,1019 13.005,1020 5.468,1021 21.207,1022 10.182,1023 3.565,1024 0.777,1025 18.79,1026 2.136,1027 11.739,1028 14.421,1029 5.961,1030 23.779,1031 11.189,1032 2.908,1033 13.976,1034 20.759,1035 1.984,1036 12.991,1037 15.998,1038 6.764,1039 26.417,1040 12.374,1041 2.779,1042 9.495,1043 22.743,1044 4.791,1045 14.183,1046 17.488,1047 7.335,1048 29.031,1049 13.464,1050 2.677,1051 8.963,1052 24.74,1053 4.25,1054 15.427,1055 19.045,1056 8.08,1057 31.666,1058 14.629,1059 2.435,1060 7.792,1061 26.747,1062 3.457,1063 16.656,1064 20.568,1065 8.695,1066 34.295,1067 15.761,1068 2.098,1069 7.061,1070 28.762,1071 3.166,1072 17.905,1073 22.12,1074 9.407,1075 36.931,1076 16.924,1077 1.82,1078 6.01,1079 30.783,1080 2.651,1081 19.152,1082 23.659,1083 10.046,1084 39.564,1085 18.078,1086 17458,1087 26743,1088 25.83,1089 43.688,1090 57.222,1091 58.818,1092 57.927,1093 57.437,1094 57.373,1095 73.433,1096 7.282,1097 167.532,1098 55.816,1099 5.958,1100 6.734,1101 7.537,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 12.842,1109 1.506,1110 1.548,1111 1.524,1112 1.511,1113 1.51,1114 1.932,1115 0.192,1116 4.409,1117 1.469,1118 4.167,1119 4.166,1120 4.746,1121 4.146,1122 7.715,1123 4.095,1124 3.962,1125 4.007,1126 3.969,1127 3.87,1128 7.428,1129 3.863,1130 3.927,1131 3.952,1132 3.871,1133 3.856,1134 6.999,1135 3.812,1136 3.805,1137 3.851,1138 3.738,1139 3.682,1140 4.886,1141 3.669,1142 3.642,1143 3.643,1144 3.605,1145 3.548,1146 4.755,1147 3.513,1148 3.362,1149 3.43,1150 3.26,1151 3.194,1152 4.358,1153 3.164,1154 3.28,1155 3.297,1156 3.23,1157 3.124,1158 4.28,1159 3.13,1160 3.141,1161 3.206,1162 2.999,1163 2.963,1164 4.2,1165 2.966,1166 0.13,1167 0.125,1168 0.204,1169 0.118,1170 0.094,1171 4.958,1172 0.126,1173 4.734,1174 0.051,1175 7.735,1176 0.368,1177 4.494,1178 0.087,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.414,1189 2.161,1190 1.928,1191 1.892,1192 2.078,1193 2.063,1194 1.324,1195 2.072,1196 1.81,1197 1.767,1198 1.99,1199 1.952,1200 1.216,1201 1.967,1202 1.714,1203 1.723,1204 1.856,1205 1.849,1206 1.136,1207 1.879,1208 1.602,1209 1.546,1210 1.692,1211 1.772,1212 1.064,1213 1.804,1214 1.418,1215 1.364,1216 1.609,1217 1.594,1218 0.825,1219 1.607,1220 1.248,1221 1.192,1222 1.513,1223 1.468,1224 0.759,1225 1.485,1226 1.153,1227 1.102,1228 1.492,1229 1.376,1230 0.723,1231 1.429,1232 4.344,1233 5.68,1234 2.398,1235 7.216,1236 4.595,1237 8.839,1238 6.629,1239 10.509,1247 6.148,1248 3.157,1251 -0.552,1252 3.807,1257 40.771,1258 99.982,1259 213.601,1260 280.56,1261 335.089,1262 347.454,1263 351.454,1264 76.134,1265 8.277,1266 69.72,1267 78.1,1268 29,1269 12.827,1270 4.392,1271 3.644,1272 50.255,1273 165,1274 184,1275 0.144,1276 249.953,1277 435.28,1278 601.645,1279 56056,1281 23.545,1282 0.693,1283 0.591,1284 23.795,1285 20.084,1286 16.503,1287 0.434,1288 0.356,1289 12.089,1290 15.302,1291 11.736,1292 9.656,1293 17.292,1294 13.519,1295 15.177,1296 0.281,1297 0.208,1298 16.477,1299 11.218,1300 12.911,1301 0.179,1302 0.124,1303 14.225,1304 8.921,1305 10.743,1306 0.116,1307 0.073,1308 11.986,1309 6.82,1310 8.664,1311 0.075,1312 0.043,1313 9.87,1314 4.968,1315 0.231,1316 110.019,1317 0.197,1318 31.906,1319 0.38,1320 184,1321 475.69,1322 237.292,1323 483.537,1324 659.94,1325 448,1326 218,1327 455.107,1328 281.417,1329 499.883,1330 733.85,1331 471,1332 4.695}
{0 CHEMBL245331,1 1.659,2 15.395,3 5.693,4 32.41,5 154.346,6 8.093,7 0.405,8 4.349,9 4.455,10 4.098,11 3.964,12 5.317,13 3.901,14 4.957,15 5.127,16 4.47,17 4.405,18 6.043,19 4.319,20 5.277,21 5.48,22 4.628,23 4.621,24 6.266,25 4.492,26 5.405,27 5.611,28 4.59,29 4.608,30 6.485,31 4.481,32 5.398,33 5.631,34 4.444,35 4.532,36 6.54,37 4.395,38 5.313,39 5.553,40 4.464,41 4.53,42 6.244,43 4.38,44 5.359,45 5.592,46 4.444,47 4.535,48 6.395,49 4.389,50 5.296,51 5.541,52 4.211,53 4.445,54 6.223,55 4.278,56 0.069,57 1.016,58 16.468,59 7.157,60 15.426,61 8.992,62 0.442,63 1.755,64 31.014,65 12.258,66 54.751,67 15.951,68 0.432,69 2.277,70 53.788,71 18.992,72 60.484,73 23.463,74 0.742,75 2.38,76 66.504,77 20.936,78 120.446,79 25.062,80 1.108,81 2.331,82 63.369,83 19.809,84 180.748,85 24.85,86 0.528,87 2.29,88 58.509,89 19.586,90 81.122,91 24.572,92 0.857,93 2.269,94 63.807,95 20.177,96 125.417,97 25.106,98 0.584,99 2.112,100 57.714,101 19.14,102 100.932,103 24.523,104 37,105 61,106 0.258,107 0.53,108 0.726,109 0.856,110 0.875,111 0.875,112 3.668,113 1.098,114 -5.49,115 -5.37,116 -5.02,119 40.8,121 5,124 1,125 4,127 2,138 10,139 3,140 3,151 1,163 13,165 4,166 7,172 19,175 2,176 9,183 17,186 1,187 15,194 11,197 4,198 11,205 9,208 1,209 9,217 8,220 1,221 16,227 10,231 7,238 8,241 2,242 7,249 9,252 2982,253 25.393,254 25.393,255 25.393,256 25.393,257 25.393,258 22.932,259 27.121,260 14.595,261 26.013,262 20.637,263 20.637,264 20.637,265 20.637,266 20.637,267 16.858,268 33.694,269 6.83,270 21.745,271 4.491,272 2.739,273 1.475,274 0.641,275 0.518,276 0.518,277 4.367,279 2,284 1281,285 4.359,287 117.267,288 497.008,292 185.225,295 2.573,296 49.416,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 81.167,308 585,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.165,328 3.205,329 6.457,330 3.923,331 2.963,332 3.774,333 0.624,334 9.936,335 2.83,336 4.156,337 3.197,338 6.025,339 3.749,340 2.803,341 3.323,342 0.375,343 8.562,344 2.631,345 3.666,346 2.937,347 6.007,348 3.549,349 2.598,350 2.91,352 8.258,353 2.465,354 3.492,355 2.747,356 5.4,357 3.258,358 2.338,359 2.66,361 6.901,362 2.143,363 3.339,364 2.493,365 5.241,366 2.96,367 2.023,368 2.5,370 6.076,371 1.861,372 3.162,373 2.319,374 4.993,375 2.756,376 1.781,377 2.34,379 5.261,380 1.704,381 2.963,382 2.016,383 4.555,384 2.614,385 1.618,386 2.107,388 4.234,389 1.609,390 2.901,391 1.665,392 4.204,393 2.503,394 1.526,395 2.061,397 3.883,398 1.49,399 2.849,400 1.535,401 4.107,402 2.381,403 1.414,404 1.975,406 3.63,407 1.366,408 2.817,409 1.5,410 3.941,411 2.344,412 1.393,413 1.833,415 2.986,416 1.236,417 2.368,418 1.32,419 3.605,420 2.01,421 1.046,422 1.307,424 2.657,425 1.006,426 2.076,427 1.206,428 3.483,429 1.984,430 1,431 1.064,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 18.962,445 0.499,446 1.092,447 0.029,448 44.75,449 1.178,450 20.5,451 0.539,452 24.25,453 0.638,454 42.05,455 1.107,456 41.638,457 0.586,458 37.092,459 0.976,460 8.187,461 0.215,462 10.065,463 0.265,464 0.154,465 0.044,466 0.301,472 0.5,473 1.415,474 0.667,475 1.13,476 0.558,477 0.97,478 0.681,479 1.06,480 0.704,481 0.83,482 0.507,483 0.893,484 0.896,485 1.073,486 0.982,487 1.062,488 0.754,489 0.987,490 1.466,491 1.106,492 1.134,493 1.124,494 1.638,495 1.055,496 1.288,497 0.911,498 0.932,499 0.872,500 1.442,501 0.936,502 0.875,503 1.057,504 0.764,505 0.978,506 0.891,507 0.948,508 1.102,509 0.955,510 0.998,511 1.029,512 1.187,513 1.004,514 1.077,515 1.064,516 0.95,517 1.04,518 1.209,519 1.055,520 8,521 0.272,522 6.222,523 3.181,524 2.756,525 1.688,526 0.966,527 0.703,528 0.478,529 0.368,530 24945,531 68934,532 2.075,533 46.5,535 23,540 6,541 4,542 1.784,543 1.924,544 3.869,545 -0.758,550 117.776,551 1.659,552 3.411,553 4.675,554 5.509,555 5.632,556 5.632,557 3.389,558 4.965,559 5.215,560 4.082,561 2869.7,562 9.17,563 48694.1,568 436.632,569 1.584,570 5.165,571 0.19,572 0.007,573 0.102,574 0.048,575 0.045,576 0.031,577 0.018,578 0.013,579 0.011,580 0.009,581 0.475,582 0.17,583 0.63,584 0.559,585 213.195,586 0.086,587 -0.207,588 0.115,589 -0.082,590 -0.067,591 0.005,592 0.14,593 0.1,594 0.057,595 0.098,596 0.168,597 0.039,598 -0.016,599 0.011,600 -0.007,601 -0.016,602 0.048,603 -0.007,604 -0.162,605 -0.105,606 -0.108,607 -0.108,608 -0.157,609 -0.096,610 -0.003,611 0.062,612 -0.04,613 0.056,614 0.026,615 0.006,616 -0.002,617 -0.029,618 0.071,619 0.02,620 0.022,621 0.029,622 -0.007,623 0.027,624 -0.044,625 -0.044,626 -0.004,627 -0.031,628 -0.099,629 -0.118,630 -0.074,631 -0.08,632 -0.118,633 -0.069,634 4.74,635 6.639,636 0.711,637 52.205,638 1.002,639 1.121,640 4.265,641 18.189,642 0.689,643 3.761,644 4.127,645 4.431,646 4.654,647 4.852,648 4.927,649 5.037,650 5.118,651 5.273,652 5.333,653 8.904,654 0.641,655 574.62,656 3.761,657 5.333,658 6.205,659 7.098,660 7.984,661 8.881,662 9.773,663 10.673,664 11.57,665 12.473,666 4.2,669 2,673 1,680 2,681 10,686 4,688 17,702 2,703 71,705 20,706 3,707 42,709 75,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 33,748 6,750 9,751 3,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 2,805 38,808 1,810 9,814 2,815 3,824 2,825 4.2,828 3,832 19.75,833 12.802,834 8.194,835 4.506,836 3.063,837 1.359,838 0.991,839 8.44,840 11.59,841 3.998,842 4.605,843 5.14,844 5.629,845 6.149,846 6.406,847 6.787,848 7.031,849 7.401,850 7.347,851 1,852 66,853 14.521,854 6.662,855 7.762,856 27.567,857 23.916,859 2.262,860 85.972,864 388.446,865 151.65,866 7.767,867 78.297,868 69.458,870 5.807,871 145.842,872 536.202,873 7.767,874 8.396,875 24.22,876 100.57,877 74.163,878 21.526,880 388.446,881 78.297,882 388.446,883 153.61,884 69.458,885 84.105,887 270.735,888 187.169,891 28.863,892 124.747,893 84.105,895 388.446,896 77.225,897 229.947,899 5.807,900 388.446,901 42.684,902 110.926,904 147.755,905 388.446,906 77.225,907 229.947,909 0.596,910 0.362,911 0.184,912 0.094,913 30,914 14,915 0.093,916 7,917 1,918 1.074,919 4.763,920 376.732,921 0.074,922 27,923 193.421,927 1,928 27.575,929 11.631,930 5.819,931 1.569,932 77.225,933 18.359,938 2.732,941 695.619,942 53.5,945 -3.824,946 40.871,950 -0.107,952 71.149,953 79.574,954 0.27,955 0.555,956 0.76,957 0.896,958 0.916,959 0.916,960 5.274,961 1.781,962 6.229,963 6.076,964 4.812,965 5.293,966 2.253,967 7.109,968 4.709,969 6.496,970 1.618,971 7.845,972 5.261,973 4.575,974 5.345,975 1.738,976 8.326,977 4.35,978 7.841,979 1.526,980 9.577,981 4.234,982 6.509,983 7.567,984 3.107,985 11.432,986 6.294,987 9.23,988 1.414,989 11.382,990 3.883,991 7.116,992 8.477,993 3.217,994 13.521,995 6.778,996 10.659,997 1.393,998 13.235,999 3.63,1000 8.556,1001 10.245,1002 4.292,1003 16.245,1004 8.209,1005 12.118,1006 1.046,1007 15.124,1008 2.986,1009 9.52,1010 11.515,1011 4.678,1012 18.665,1013 9.06,1014 13.6,1015 1,1016 17.04,1017 2.657,1018 10.801,1019 13.134,1020 5.58,1021 21.304,1022 10.305,1023 3.57,1024 0.926,1025 18.977,1026 2.275,1027 11.917,1028 14.556,1029 6.104,1030 23.853,1031 11.323,1032 3.05,1033 13.988,1034 20.932,1035 2.153,1036 13.153,1037 16.123,1038 6.909,1039 26.479,1040 12.502,1041 2.963,1042 10.275,1043 22.902,1044 4.797,1045 14.338,1046 17.613,1047 7.507,1048 29.078,1049 13.596,1050 2.803,1051 9.936,1052 24.884,1053 4.374,1054 15.57,1055 19.163,1056 8.258,1057 31.706,1058 14.756,1059 2.598,1060 8.562,1061 26.876,1062 3.774,1063 16.788,1064 20.684,1065 8.895,1066 34.327,1067 15.887,1068 2.338,1069 8.258,1070 28.877,1071 3.323,1072 18.026,1073 22.231,1074 9.617,1075 36.959,1076 17.047,1077 2.023,1078 6.901,1079 30.885,1080 2.91,1081 19.262,1082 23.768,1083 10.276,1084 39.589,1085 18.198,1086 23277,1087 38939,1088 27.739,1089 48.926,1090 63.807,1091 66.229,1092 66.249,1093 64.266,1094 63.774,1095 80.187,1096 7.57,1097 191.122,1098 60.396,1099 5.96,1100 6.734,1101 7.426,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.307,1109 1.519,1110 1.577,1111 1.577,1112 1.53,1113 1.518,1114 1.909,1115 0.18,1116 4.551,1117 1.438,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.967,1125 4.009,1126 4.085,1127 3.887,1128 7.427,1129 3.878,1130 3.931,1131 3.954,1132 4.013,1133 3.868,1134 6.999,1135 3.823,1136 3.841,1137 3.882,1138 3.802,1139 3.714,1140 4.999,1141 3.701,1142 3.651,1143 3.653,1144 3.631,1145 3.555,1146 4.929,1147 3.522,1148 3.475,1149 3.549,1150 3.466,1151 3.28,1152 4.508,1153 3.282,1154 3.291,1155 3.359,1156 3.355,1157 3.193,1158 4.38,1159 3.151,1160 3.276,1161 3.297,1162 3.288,1163 3.1,1164 4.333,1165 3.098,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.925,1191 1.896,1192 2.071,1193 2.062,1194 1.326,1195 2.07,1196 1.838,1197 1.789,1198 1.995,1199 1.968,1200 1.225,1201 1.984,1202 1.715,1203 1.73,1204 1.858,1205 1.855,1206 1.205,1207 1.878,1208 1.609,1209 1.555,1210 1.729,1211 1.78,1212 1.068,1213 1.811,1214 1.457,1215 1.393,1216 1.655,1217 1.657,1218 0.895,1219 1.681,1220 1.378,1221 1.319,1222 1.608,1223 1.544,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.467,1230 0.759,1231 1.503,1232 4.443,1233 5.796,1234 2.398,1235 7.349,1236 4.595,1237 8.989,1238 6.629,1239 10.673,1241 1.827,1242 12.57,1247 6.931,1251 -0.565,1252 5.608,1257 45.479,1258 117.776,1259 242.152,1260 331.903,1261 391.122,1262 399.877,1263 399.877,1264 97.719,1265 8.528,1266 60.93,1267 69.31,1268 29,1269 12.994,1270 4.392,1271 3.644,1272 59.402,1273 201,1274 214,1275 0.14,1276 285.803,1277 500.3,1278 689.12,1279 77004,1280 2.8,1281 26.863,1282 0.707,1283 0.628,1284 28.113,1285 23.851,1286 18.252,1287 0.435,1288 0.366,1289 13.237,1290 16.428,1291 12.749,1292 10.45,1293 19.618,1294 15.377,1295 16.963,1296 0.278,1297 0.213,1298 19.005,1299 12.965,1300 14.958,1301 0.18,1302 0.128,1303 17.011,1304 10.604,1305 11.898,1306 0.114,1307 0.076,1308 13.726,1309 7.88,1310 9.178,1311 0.072,1312 0.044,1313 10.756,1314 5.532,1315 0.226,1316 127.077,1317 0.19,1318 34.894,1319 0.37,1320 206,1321 559.409,1322 290.692,1323 621.927,1324 825.12,1325 574,1326 247,1327 527.677,1328 334.836,1329 592.191,1330 872.93,1331 557,1332 6.337}
{0 CHEMBL245332,1 1.659,2 16.053,3 5.693,4 32.41,5 154.346,6 8.093,7 0.405,8 4.349,9 4.455,10 4.098,11 3.964,12 5.317,13 3.901,14 4.957,15 5.127,16 4.47,17 4.405,18 6.046,19 4.319,20 5.277,21 5.48,22 4.602,23 4.616,24 6.265,25 4.485,26 5.4,27 5.611,28 4.555,29 4.592,30 6.469,31 4.466,32 5.394,33 5.632,34 4.43,35 4.525,36 6.523,37 4.39,38 5.315,39 5.552,40 4.436,41 4.528,42 6.249,43 4.375,44 5.355,45 5.592,46 4.409,47 4.516,48 6.381,49 4.37,50 5.292,51 5.542,52 4.239,53 4.44,54 6.206,55 4.278,56 0.069,57 1.016,58 16.468,59 7.157,60 15.327,61 8.992,62 0.442,63 1.755,64 31.014,65 12.258,66 55.148,67 15.951,68 0.444,69 2.279,70 54.233,71 18.992,72 61.944,73 23.464,74 0.717,75 2.396,76 63.963,77 20.712,78 117.89,79 24.98,80 1.04,81 2.348,82 60.101,83 19.645,84 176.549,85 24.785,86 0.552,87 2.287,88 59.949,89 19.659,90 83.625,91 24.6,92 0.864,93 2.282,94 61.546,95 19.894,96 123.841,97 25.007,98 0.535,99 2.125,100 54.282,101 18.918,102 95.544,103 24.439,104 37,105 61,106 0.258,107 0.53,108 0.726,109 0.847,110 0.858,111 0.858,112 3.668,113 1.098,114 -5.49,115 -5.37,116 -5.02,119 40.8,121 5,124 1,125 4,127 2,138 10,139 3,140 3,151 1,163 13,165 4,166 7,172 20,175 2,176 9,183 16,186 1,187 16,194 10,197 4,198 10,205 10,208 1,209 8,217 10,220 1,221 17,227 8,231 8,238 6,241 2,242 6,249 11,252 3030,253 25.341,254 25.341,255 25.341,256 25.341,257 25.341,258 22.907,259 28.466,260 14.542,261 25.987,262 20.642,263 20.642,264 20.642,265 20.642,266 20.642,267 16.878,268 34.461,269 6.841,270 21.79,271 4.491,272 2.739,273 1.475,274 0.697,275 0.63,276 0.63,277 4.367,279 2,284 1336,285 4.359,287 118.348,288 500.309,292 186.474,295 2.584,296 48.905,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 81.167,308 610,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.159,328 3.205,329 6.457,330 3.923,331 2.963,332 3.615,333 0.624,334 9.936,335 2.83,336 4.014,337 2.988,338 6.008,339 3.622,340 2.659,341 3.323,342 0.375,343 8.262,344 2.566,345 3.669,346 2.929,347 5.464,348 3.53,349 2.573,350 2.91,352 7.262,353 2.457,354 3.504,355 2.765,356 5.365,357 3.263,358 2.344,359 2.733,361 6.806,362 2.143,363 3.427,364 2.569,365 5.227,366 2.992,367 2.076,368 2.637,370 6.077,371 1.868,372 3.301,373 2.444,374 4.994,375 2.939,376 2.013,377 2.494,379 5.665,380 1.776,381 3.157,382 2.318,383 4.878,384 2.743,385 1.768,386 2.316,388 5.253,389 1.691,390 2.945,391 1.665,392 4.553,393 2.607,394 1.61,395 2.083,397 4.223,398 1.6,399 2.831,400 1.5,401 4.108,402 2.382,403 1.394,404 1.842,406 3.631,407 1.366,408 2.5,409 1.344,410 3.942,411 2.02,412 1.057,413 1.5,415 2.672,416 1.014,417 2.368,418 1.206,419 3.485,420 2,421 1,422 1.307,424 2.275,425 1,426 2.081,427 1.093,428 3.414,429 1.984,430 1,431 1.07,433 2.275,434 0.983,435 2,436 1.077,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 18.962,445 0.499,446 1.109,447 0.029,448 44.75,449 1.178,450 20.5,451 0.539,452 24.25,453 0.638,454 41.698,455 1.097,456 41.638,457 0.586,458 37.086,459 0.976,460 8.172,461 0.215,462 10.063,463 0.265,464 0.154,465 0.044,466 0.301,472 0.5,473 1.415,474 0.667,475 1.13,476 0.559,477 0.97,478 0.681,479 1.06,480 0.704,481 0.83,482 0.502,483 0.893,484 0.907,485 1.078,486 1.013,487 1.087,488 0.76,489 1.011,490 1.398,491 1.108,492 1.032,493 1.1,494 1.606,495 1.04,496 1.236,497 0.903,498 0.807,499 0.812,500 1.404,501 0.893,502 0.912,503 1.063,504 0.839,505 1.019,506 0.913,507 0.983,508 1.006,509 0.964,510 0.888,511 1.018,512 1.148,513 0.996,514 0.983,515 1.057,516 0.781,517 0.965,518 1.155,519 0.992,520 8.5,521 0.276,522 6,523 2.931,524 2.836,525 1.632,526 0.923,527 0.75,528 0.507,529 0.358,530 25225,531 70694,532 2.075,533 46.5,535 23,540 6,541 4,542 1.784,543 1.924,544 3.922,545 -0.758,550 117.776,551 1.659,552 3.411,553 4.675,554 5.452,555 5.519,556 5.519,557 3.432,558 4.86,559 5.213,560 4.113,561 2891.41,562 9.166,563 49239.3,568 436.632,569 1.584,570 5.165,571 0.202,572 0.008,573 0.098,574 0.045,575 0.047,576 0.03,577 0.017,578 0.014,579 0.011,580 0.009,581 0.482,582 0.17,583 0.63,584 0.559,585 213.591,586 0.086,587 -0.207,588 0.115,589 -0.082,590 -0.068,591 0.005,592 0.14,593 0.1,594 0.057,595 0.098,596 0.174,597 0.039,598 -0.027,599 0.006,600 -0.038,601 -0.042,602 0.042,603 -0.032,604 -0.142,605 -0.103,606 -0.082,607 -0.097,608 -0.148,609 -0.085,611 0.074,612 0.009,613 0.104,614 0.04,615 0.047,616 -0.022,617 -0.036,618 0.022,619 -0.017,620 0.009,621 -0.006,622 0.04,623 0.022,624 -0.012,625 -0.047,626 0.012,627 -0.026,628 -0.057,629 -0.107,630 0.015,631 -0.019,632 -0.089,633 -0.01,634 4.737,635 6.636,636 0.711,637 53.773,638 1.002,639 1.121,640 4.265,641 18.189,642 0.689,643 3.761,644 4.127,645 4.419,646 4.644,647 4.86,648 4.927,649 5.03,650 5.124,651 5.268,652 5.313,653 9.032,654 0.641,655 574.62,656 3.761,657 5.333,658 6.201,659 7.093,660 7.976,661 8.872,662 9.763,663 10.662,664 11.558,665 12.46,666 4.2,669 2,673 1,680 2,681 10,686 4,688 17,702 2,703 71,705 20,706 3,707 42,709 75,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 33,748 6,750 9,751 3,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 2,805 38,808 1,810 9,814 2,815 3,824 2,825 4.2,828 3,832 19.75,833 12.802,834 8.167,835 4.499,836 3.026,837 1.355,838 0.991,839 8.44,840 11.553,841 3.998,842 4.605,843 5.131,844 5.624,845 6.16,846 6.412,847 6.782,848 7.033,849 7.401,850 7.34,851 0.909,852 65,853 14.515,854 6.653,855 7.762,856 27.567,857 23.911,859 2.262,860 85.972,864 388.446,865 151.65,866 7.767,867 78.297,868 69.458,870 5.807,871 145.842,872 536.202,873 7.767,874 8.396,875 24.22,876 100.57,877 74.163,878 21.526,880 388.446,881 78.297,882 388.446,883 153.61,884 69.458,885 84.105,887 270.735,888 187.169,891 28.863,892 124.747,893 84.105,895 388.446,896 77.225,897 229.947,899 5.807,900 388.446,901 42.684,902 110.926,904 147.755,905 388.446,906 77.225,907 229.947,909 0.596,910 0.357,911 0.181,912 0.096,913 30,914 14,915 0.093,916 7,917 1,918 1.074,919 4.787,920 375.088,921 0.074,922 27,923 189.421,927 1,928 27.575,929 11.631,930 5.966,931 1.571,932 77.225,933 18.4,938 2.792,941 695.619,942 53.5,945 -3.82,946 40.859,950 -0.102,952 71.149,953 79.574,954 0.27,955 0.555,956 0.76,957 0.887,958 0.897,959 0.897,960 5.274,961 2.013,962 6.225,963 6.077,964 4.812,965 5.293,966 2.253,967 7.098,968 4.709,969 6.496,970 1.768,971 7.836,972 5.665,973 4.575,974 5.345,975 1.738,976 8.304,977 4.35,978 7.84,979 1.61,980 9.561,981 5.253,982 6.503,983 7.562,984 3.107,985 11.406,986 6.291,987 9.225,988 1.394,989 11.359,990 4.223,991 7.099,992 8.463,993 3.217,994 13.495,995 6.768,996 10.651,997 1.057,998 13.208,999 3.631,1000 8.539,1001 10.231,1002 4.292,1003 16.223,1004 8.2,1005 12.106,1006 1,1007 15.094,1008 2.672,1009 9.495,1010 11.494,1011 4.678,1012 18.649,1013 9.047,1014 13.584,1015 1,1016 17.009,1017 2.275,1018 10.777,1019 13.114,1020 5.58,1021 21.292,1022 10.293,1023 3.57,1024 0.926,1025 18.947,1026 2.275,1027 11.891,1028 14.536,1029 6.104,1030 23.845,1031 11.308,1032 3.05,1033 13.988,1034 20.903,1035 2.153,1036 13.13,1037 16.104,1038 6.909,1039 26.473,1040 12.489,1041 2.963,1042 10.275,1043 22.875,1044 4.797,1045 14.316,1046 17.595,1047 7.507,1048 29.075,1049 13.583,1050 2.659,1051 9.936,1052 24.86,1053 4.374,1054 15.55,1055 19.148,1056 8.258,1057 31.704,1058 14.745,1059 2.573,1060 8.262,1061 26.855,1062 3.615,1063 16.77,1064 20.67,1065 8.895,1066 34.326,1067 15.877,1068 2.344,1069 7.262,1070 28.859,1071 3.323,1072 18.01,1073 22.219,1074 9.617,1075 36.958,1076 17.038,1077 2.076,1078 6.806,1079 30.87,1080 2.91,1081 19.249,1082 23.758,1083 10.276,1084 39.588,1085 18.19,1086 23540,1087 39654,1088 27.739,1089 48.926,1090 63.825,1091 66.188,1092 66.078,1093 64.283,1094 63.778,1095 80.183,1096 7.57,1097 190.722,1098 60.394,1099 5.96,1100 6.734,1101 7.272,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.464,1109 1.52,1110 1.576,1111 1.573,1112 1.531,1113 1.519,1114 1.909,1115 0.18,1116 4.541,1117 1.438,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.967,1125 4.009,1126 4.085,1127 3.885,1128 7.427,1129 3.876,1130 3.931,1131 3.954,1132 3.999,1133 3.868,1134 6.999,1135 3.822,1136 3.842,1137 3.882,1138 3.805,1139 3.714,1140 4.999,1141 3.702,1142 3.652,1143 3.653,1144 3.637,1145 3.555,1146 4.938,1147 3.522,1148 3.477,1149 3.548,1150 3.472,1151 3.29,1152 4.508,1153 3.289,1154 3.295,1155 3.358,1156 3.439,1157 3.194,1158 4.401,1159 3.153,1160 3.277,1161 3.297,1162 3.278,1163 3.109,1164 4.302,1165 3.106,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.926,1191 1.896,1192 2.074,1193 2.063,1194 1.326,1195 2.071,1196 1.838,1197 1.789,1198 1.997,1199 1.97,1200 1.225,1201 1.985,1202 1.715,1203 1.73,1204 1.858,1205 1.854,1206 1.205,1207 1.877,1208 1.609,1209 1.555,1210 1.724,1211 1.78,1212 1.068,1213 1.81,1214 1.456,1215 1.393,1216 1.645,1217 1.655,1218 0.892,1219 1.678,1220 1.376,1221 1.32,1222 1.6,1223 1.54,1224 0.825,1225 1.566,1226 1.238,1227 1.183,1228 1.543,1229 1.463,1230 0.758,1231 1.5,1232 4.443,1233 5.796,1234 2.398,1235 7.345,1236 4.595,1237 8.98,1238 6.629,1239 10.66,1241 1.831,1242 12.253,1247 7.104,1251 -0.551,1252 5.635,1257 45.479,1258 117.776,1259 242.152,1260 331.903,1261 387.122,1262 391.877,1263 391.877,1264 96.76,1265 8.528,1266 60.93,1267 69.31,1268 29,1269 12.982,1270 4.392,1271 3.644,1272 59.438,1273 203,1274 246,1275 0.139,1276 285.803,1277 500.3,1278 689.12,1279 77004,1280 2.8,1281 26.863,1282 0.707,1283 0.628,1284 28.113,1285 23.851,1286 18.235,1287 0.434,1288 0.366,1289 13.231,1290 16.394,1291 12.74,1292 10.443,1293 19.601,1294 15.371,1295 17.067,1296 0.28,1297 0.214,1298 19.146,1299 13.029,1300 14.842,1301 0.181,1302 0.128,1303 16.803,1304 10.462,1305 11.716,1306 0.114,1307 0.075,1308 13.441,1309 7.734,1310 9.3,1311 0.073,1312 0.044,1313 10.934,1314 5.599,1315 0.224,1316 126.976,1317 0.19,1318 34.98,1319 0.364,1320 206,1321 559.409,1322 290.692,1323 622.08,1324 824.54,1325 574,1326 246,1327 526.677,1328 331.884,1329 591.357,1330 869.88,1331 556,1332 6.086}
{0 CHEMBL245531,1 1.614,2 16.154,3 5.012,4 25.122,5 156.005,6 7.603,7 0.395,8 4.402,9 4.51,10 4.098,11 3.979,12 5.374,13 3.923,14 5.009,15 5.184,16 4.448,17 4.41,18 6.08,19 4.332,20 5.303,21 5.504,22 4.589,23 4.625,24 6.281,25 4.505,26 5.443,27 5.654,28 4.575,29 4.629,30 6.503,31 4.51,32 5.46,33 5.699,34 4.445,35 4.576,36 6.57,37 4.441,38 5.374,39 5.614,40 4.437,41 4.564,42 6.291,43 4.411,44 5.417,45 5.667,46 4.413,47 4.546,48 6.406,49 4.402,50 5.351,51 5.601,52 4.232,53 4.465,54 6.258,55 4.315,56 0.064,57 1.08,58 18.757,59 7.679,60 16.211,61 9.733,62 0.497,63 1.832,64 34.476,65 12.846,66 59.871,67 16.834,68 0.425,69 2.355,70 53.695,71 19.057,72 58.921,73 23.954,74 0.673,75 2.503,76 64.269,77 20.957,78 112.911,79 26.149,80 1.076,81 2.473,82 63.325,83 20.322,84 178.067,85 26.4,86 0.583,87 2.412,88 60.655,89 20.201,90 83.525,91 26.057,92 0.811,93 2.412,94 62.748,95 20.42,96 120.744,97 26.645,98 0.615,99 2.229,100 56.176,101 18.846,102 96.348,103 24.892,104 38,105 62,106 0.248,107 0.53,108 0.748,109 0.865,110 0.873,111 0.873,112 3.693,113 1.076,114 -4.74,115 -4.65,116 -4.37,119 40,121 5,124 2,125 4,127 2,138 10,139 3,140 3,151 1,163 13,165 4,166 9,172 18,175 2,176 11,183 13,186 1,187 18,194 10,197 4,198 9,205 9,208 2,209 9,217 10,220 1,221 16,227 6,231 10,238 8,241 2,242 5,249 9,252 3248,253 26.211,254 26.211,255 26.211,256 26.211,257 26.211,258 23.83,259 31.178,260 15.078,261 26.899,262 21.087,263 21.087,264 21.087,265 21.087,266 21.087,267 17.307,268 39.779,269 7.001,270 22.146,271 4.614,272 2.782,273 1.37,274 0.607,275 0.553,276 0.553,277 4.393,279 1,283 1,284 1375,285 4.472,287 121.782,288 514.848,292 192.5,295 2.627,296 49.152,299 0.75,300 0.83,301 0.83,302 0.9,303 0.5,304 0.83,305 1,306 0.81,307 83.833,308 630,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.86,325 10.275,326 2.942,327 4.159,328 3.205,329 6.457,330 3.923,331 2.963,332 3.669,333 0.8,334 9.936,335 2.83,336 4.069,337 2.986,338 6.008,339 3.679,340 2.706,341 3.323,342 0.624,343 8.262,344 2.638,345 3.669,346 2.91,347 5.597,348 3.548,349 2.594,350 2.91,351 0.375,352 7.712,353 2.469,354 3.5,355 2.752,356 5.398,357 3.275,358 2.35,359 2.684,361 6.912,362 2.166,363 3.397,364 2.521,365 5.245,366 3.012,367 2.06,368 2.602,370 6.085,371 1.948,372 3.284,373 2.397,374 4.997,375 2.944,376 2.008,377 2.491,379 5.78,380 1.845,381 3.157,382 2.317,383 4.937,384 2.743,385 1.768,386 2.313,388 5.252,389 1.696,390 2.945,391 1.665,392 4.553,393 2.607,394 1.61,395 2.084,397 4.223,398 1.602,399 2.832,400 1.5,401 4.108,402 2.382,403 1.394,404 1.847,406 3.631,407 1.366,408 2.685,409 1.401,410 3.942,411 2.23,412 1.243,413 1.764,415 2.715,416 1.223,417 2.368,418 1.302,419 3.511,420 2.01,421 1.046,422 1.307,424 2.623,425 1.006,426 2.07,427 1.205,428 3.481,429 1.984,430 1,431 1.061,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 19.081,445 0.489,446 1.071,447 0.027,448 46,449 1.179,450 21,451 0.538,452 25,453 0.641,454 42.386,455 1.087,456 43.319,457 0.578,458 39.136,459 1.003,460 8.584,461 0.22,462 10.19,463 0.261,464 0.142,465 0.044,466 0.299,472 0.571,473 1.454,474 0.743,475 1.22,476 0.578,477 1.027,478 0.827,479 1.025,480 0.78,481 0.84,482 0.542,483 0.887,484 0.917,485 1.091,486 1.062,487 1.108,488 0.779,489 1.021,490 1.342,491 1.132,492 1.11,493 1.133,494 1.629,495 1.061,496 1.255,497 0.908,498 0.948,499 0.852,500 1.434,501 0.927,502 0.853,503 1.082,504 0.886,505 1.048,506 0.91,507 1.018,508 0.944,509 0.957,510 0.901,511 0.992,512 1.123,513 0.958,514 1.121,515 1.018,516 0.905,517 0.969,518 1.205,519 0.99,520 8.5,521 0.284,522 5.778,523 3.181,524 2.876,525 1.639,526 0.966,527 0.75,528 0.47,529 0.374,530 27020,531 69949,532 2.073,533 48,535 26,540 6,541 4,542 1.79,543 1.926,544 3.941,545 -0.764,550 121.082,551 1.614,552 3.447,553 4.859,554 5.622,555 5.675,556 5.675,557 3.432,558 4.958,559 5.252,560 4.142,561 3069.01,562 9.242,563 53573.7,568 467.161,569 1.568,570 5.205,571 0.198,572 0.008,573 0.093,574 0.047,575 0.046,576 0.029,577 0.018,578 0.014,579 0.01,580 0.009,581 0.471,582 0.17,583 0.75,584 0.686,585 221.203,586 0.083,587 -0.227,588 0.148,589 -0.098,590 -0.068,591 -0.003,592 0.099,593 0.13,594 0.069,595 0.127,596 0.164,597 0.07,598 -0.028,599 0.008,600 -0.024,601 -0.033,602 0.041,603 -0.026,604 -0.123,605 -0.119,606 -0.075,607 -0.11,608 -0.14,609 -0.093,610 -0.02,611 0.062,612 -0.021,613 0.078,614 0.035,615 0.02,616 0.011,617 -0.057,618 0.029,619 -0.034,620 0.013,621 -0.032,622 0.045,623 0.021,624 0.035,625 -0.015,626 0.032,627 0.019,628 -0.105,629 -0.063,630 -0.033,631 -0.021,632 -0.106,633 -0.018,634 4.74,635 6.657,636 0.692,637 55.769,638 1,639 1.123,640 3.506,641 12.29,642 0.67,643 3.784,644 4.143,645 4.443,646 4.673,647 4.875,648 4.949,649 5.063,650 5.136,651 5.283,652 5.342,653 9.243,654 0.625,655 570.21,656 3.784,657 5.352,658 6.221,659 7.112,660 7.996,661 8.892,662 9.782,663 10.682,664 11.576,665 12.479,666 4,669 2,673 1,680 2,681 10,686 4,688 17,701 1,702 1,703 75,705 20,706 3,707 43,709 79,710 30,711 16,712 6,713 10,717 5,718 6,719 1,724 6,727 7,729 17,730 13,733 3,736 1,737 3,741 1,747 36,748 7,750 9,751 2,755 3,760 0.8,761 4,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 2,802 1,805 39,808 1,810 9,812 1,814 2,815 3,824 1,825 5.3,828 3,830 1,832 20.25,833 13.826,834 8.5,835 4.672,836 3.069,837 1.357,838 0.981,839 8.723,840 11.673,841 4.016,842 4.615,843 5.149,844 5.648,845 6.169,846 6.433,847 6.81,848 7.038,849 7.408,850 7.353,851 0.909,852 67,853 14.89,854 6.764,855 7.74,856 28.315,857 24.321,859 2.24,860 87.361,864 423.76,865 164.276,866 7.767,867 39.149,868 80.458,870 5.807,871 158.468,872 543.366,873 7.767,874 19.279,875 24.22,876 100.57,877 74.163,878 34.269,880 423.76,881 39.149,882 423.76,883 166.235,884 80.458,885 44.956,887 306.049,888 198.169,891 28.863,892 137.373,893 44.956,895 423.76,896 88.225,897 203.424,899 5.807,900 423.76,901 44.426,902 121.809,904 119.606,905 423.76,906 88.225,907 203.424,909 0.591,910 0.359,911 0.185,912 0.096,913 30,914 14,915 0.101,916 8,917 1,918 1.074,919 4.857,920 387.436,921 0.074,922 27,923 200.131,927 1,928 28.225,929 12.054,930 6.07,931 1.572,932 88.225,933 18.602,938 2.905,941 715.409,942 54.5,945 -3.823,946 40.933,950 -0.102,952 75.036,953 84.255,954 0.259,955 0.553,956 0.78,957 0.903,958 0.911,959 0.911,960 5.29,961 2.008,962 6.24,963 6.085,964 4.828,965 5.303,966 2.397,967 7.114,968 4.734,969 6.506,970 1.768,971 7.85,972 5.78,973 4.575,974 5.345,975 1.738,976 8.317,977 4.381,978 7.849,979 1.61,980 9.575,981 5.252,982 6.518,983 7.57,984 3.155,985 11.42,986 6.319,987 9.234,988 1.394,989 11.373,990 4.223,991 7.107,992 8.468,993 3.217,994 13.505,995 6.799,996 10.66,997 1.243,998 13.221,999 3.631,1000 8.552,1001 10.238,1002 4.303,1003 16.231,1004 8.226,1005 12.115,1006 1.046,1007 15.106,1008 2.715,1009 9.505,1010 11.501,1011 4.678,1012 18.654,1013 9.073,1014 13.593,1015 1,1016 17.019,1017 2.623,1018 10.788,1019 13.121,1020 5.582,1021 21.295,1022 10.315,1023 3.57,1024 0.926,1025 18.956,1026 2.275,1027 11.901,1028 14.542,1029 6.104,1030 23.846,1031 11.33,1032 3.05,1033 13.988,1034 20.911,1035 2.153,1036 13.139,1037 16.11,1038 6.909,1039 26.474,1040 12.508,1041 2.963,1042 10.275,1043 22.882,1044 4.797,1045 14.323,1046 17.6,1047 7.507,1048 29.075,1049 13.6,1050 2.706,1051 9.936,1052 24.865,1053 4.374,1054 15.556,1055 19.152,1056 8.258,1057 31.704,1058 14.76,1059 2.594,1060 8.262,1061 26.86,1062 3.669,1063 16.776,1064 20.674,1065 8.895,1066 34.326,1067 15.89,1068 2.35,1069 7.712,1070 28.862,1071 3.323,1072 18.015,1073 22.223,1074 9.617,1075 36.958,1076 17.049,1077 2.06,1078 6.912,1079 30.873,1080 2.91,1081 19.253,1082 23.76,1083 10.276,1084 39.588,1085 18.2,1086 25297,1087 41013,1088 28.433,1089 50.284,1090 64.904,1091 67.432,1092 67.473,1093 65.284,1094 65.038,1095 81.432,1096 9.29,1097 193.766,1098 61.972,1099 5.96,1100 6.734,1101 7.333,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.842,1109 1.509,1110 1.568,1111 1.569,1112 1.518,1113 1.513,1114 1.894,1115 0.216,1116 4.506,1117 1.441,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.969,1125 4.011,1126 4.084,1127 3.877,1128 7.427,1129 3.872,1130 3.934,1131 3.956,1132 3.885,1133 3.864,1134 6.999,1135 3.822,1136 3.844,1137 3.885,1138 3.785,1139 3.712,1140 4.998,1141 3.701,1142 3.652,1143 3.653,1144 3.628,1145 3.555,1146 4.863,1147 3.522,1148 3.482,1149 3.552,1150 3.466,1151 3.283,1152 4.508,1153 3.287,1154 3.32,1155 3.383,1156 3.346,1157 3.194,1158 4.407,1159 3.153,1160 3.281,1161 3.297,1162 3.187,1163 3.106,1164 4.343,1165 3.108,1166 0.115,1167 0.11,1168 0.18,1169 0.105,1170 0.083,1171 4.96,1172 0.112,1173 4.734,1174 0.046,1175 7.737,1176 0.325,1177 4.499,1178 0.077,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.925,1191 1.896,1192 2.076,1193 2.065,1194 1.326,1195 2.072,1196 1.838,1197 1.789,1198 2.005,1199 1.986,1200 1.225,1201 1.993,1202 1.715,1203 1.73,1204 1.858,1205 1.856,1206 1.205,1207 1.878,1208 1.609,1209 1.555,1210 1.729,1211 1.781,1212 1.068,1213 1.811,1214 1.458,1215 1.395,1216 1.658,1217 1.664,1218 0.897,1219 1.686,1220 1.382,1221 1.325,1222 1.612,1223 1.566,1224 0.825,1225 1.587,1226 1.247,1227 1.19,1228 1.561,1229 1.502,1230 0.759,1231 1.525,1232 4.466,1233 5.814,1234 2.398,1235 7.362,1236 4.595,1237 8.997,1238 6.629,1239 10.677,1241 3.516,1242 6.272,1247 7.068,1249 5.33,1251 -0.556,1252 5.644,1257 46.894,1258 121.082,1259 258.511,1260 364.432,1261 421.652,1262 425.652,1263 425.652,1264 98.98,1265 8.604,1266 70.16,1267 78.54,1268 29,1269 13.001,1270 4.392,1271 3.644,1272 61.842,1273 214,1274 242,1275 0.137,1276 291.059,1277 511.18,1278 701.944,1279 85355,1280 1.3,1281 27.57,1282 0.707,1283 0.619,1284 28.32,1285 24.125,1286 18.773,1287 0.437,1288 0.359,1289 13.583,1290 17.084,1291 13.082,1292 10.771,1293 19.851,1294 15.416,1295 17.248,1296 0.278,1297 0.207,1298 18.919,1299 12.818,1300 15.175,1301 0.181,1302 0.124,1303 16.848,1304 10.431,1305 12.133,1306 0.114,1307 0.073,1308 13.692,1309 7.785,1310 9.462,1311 0.073,1312 0.043,1313 10.861,1314 5.541,1315 0.222,1316 128.144,1317 0.188,1318 35.723,1319 0.358,1320 210,1321 580.941,1322 282.051,1323 606.354,1324 813.56,1325 562,1326 251,1327 540.36,1328 329.783,1329 595.52,1330 874.38,1331 558,1332 6.328}
{0 CHEMBL245730,1 1.659,2 15.625,3 4.031,4 16.247,5 158.122,6 7.776,7 0.386,8 4.404,9 4.516,10 4.111,11 3.989,12 5.421,13 3.936,14 5,15 5.171,16 4.473,17 4.427,18 6.137,19 4.351,20 5.319,21 5.52,22 4.622,23 4.645,24 6.342,25 4.531,26 5.457,27 5.662,28 4.625,29 4.65,30 6.574,31 4.542,32 5.488,33 5.722,34 4.485,35 4.594,36 6.653,37 4.468,38 5.408,39 5.657,40 4.464,41 4.573,42 6.359,43 4.426,44 5.409,45 5.649,46 4.452,47 4.564,48 6.437,49 4.431,50 5.377,51 5.62,52 4.263,53 4.499,54 6.353,55 4.35,56 0.093,57 1.108,58 18.094,59 7.427,60 20.872,61 9.379,62 0.507,63 1.859,64 32.72,65 12.702,66 68.987,67 16.682,68 0.479,69 2.404,70 53.726,71 19.191,72 72.263,73 24.019,74 0.741,75 2.558,76 64.049,77 20.907,78 136.226,79 25.856,80 1.176,81 2.553,82 64.463,83 20.381,84 212.364,85 26.319,86 0.745,87 2.484,88 63.348,89 20.438,90 110.264,91 26.415,92 0.861,93 2.42,94 61.439,95 20.088,96 133.677,97 26.004,98 0.667,99 2.308,100 56.731,101 19.237,102 129.783,103 25.33,104 51,105 64,106 0.255,107 0.558,108 0.746,109 0.863,110 0.877,111 0.877,112 3.717,113 1.06,114 -4.32,115 -4.26,116 -4.02,119 40,121 5,124 1,125 4,127 2,138 10,139 4,140 2,151 2,156 1,157 1,158 1,163 15,165 4,166 8,168 1,169 1,171 1,172 20,174 1,175 2,176 11,181 2,183 15,185 2,186 1,187 19,192 3,194 10,196 3,197 4,198 11,203 1,205 9,207 1,208 2,209 9,211 1,212 1,217 10,220 1,221 16,227 8,231 10,236 2,238 8,240 2,241 2,242 6,249 9,252 3404,253 26.6,254 26.6,255 26.6,256 26.6,257 26.6,258 24.047,259 29.689,260 15.274,261 27.089,262 21.621,263 21.621,264 21.621,265 21.621,266 21.621,267 17.63,268 36.896,269 7.122,270 22.459,271 4.57,272 2.593,273 1.37,274 0.607,275 0.517,276 0.517,277 4.415,279 1,283 1,284 1359,285 4.69,287 124.315,288 526.681,292 197.406,295 2.675,296 57.359,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 86.333,308 625,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.98,325 10.275,326 2.974,327 4.317,328 3.542,329 6.457,330 3.967,331 2.968,332 3.928,333 0.8,334 9.936,335 2.941,336 4.158,337 3.205,338 6.404,339 3.922,340 2.956,341 3.323,342 0.624,343 9.741,344 2.829,345 3.669,346 2.957,347 6.008,348 3.558,349 2.606,350 2.91,351 0.375,352 8.261,353 2.476,354 3.498,355 2.794,356 5.406,357 3.279,358 2.351,359 2.669,361 6.931,362 2.18,363 3.393,364 2.672,365 5.249,366 2.997,367 2.029,368 2.593,370 6.08,371 1.983,372 3.308,373 2.476,374 4.995,375 2.943,376 1.962,377 2.497,379 5.323,380 1.853,381 3.16,382 2.318,383 4.89,384 2.748,385 1.771,386 2.335,388 5.199,389 1.701,390 2.961,391 1.665,392 4.553,393 2.61,394 1.612,395 2.107,397 4.222,398 1.606,399 2.9,400 1.64,401 4.108,402 2.486,403 1.488,404 2.051,406 3.631,407 1.482,408 2.824,409 1.5,410 3.943,411 2.381,412 1.393,413 1.836,415 3.217,416 1.366,417 2.532,418 1.329,419 3.75,420 2.017,421 1.046,422 1.476,424 2.657,425 1.01,426 2.368,427 1.305,428 3.483,429 2.01,430 1,431 1.307,433 2.305,434 1.006,435 2.072,436 1.206,437 3.466,438 1.984,439 1,440 1.061,442 2.275,443 0.983,444 19.481,445 0.487,446 1.181,447 0.03,448 47.5,449 1.188,450 22,451 0.55,452 25.5,453 0.638,454 43.476,455 1.087,456 44.119,457 0.588,458 41.975,459 1.049,460 8.88,461 0.222,462 10.283,463 0.257,464 0.151,465 0.043,466 0.318,472 0.556,473 1.38,474 0.74,475 1.161,476 0.599,477 0.982,478 0.634,479 1.047,480 0.758,481 0.876,482 0.471,483 0.916,484 0.889,485 1.075,486 1.042,487 1.101,488 0.755,489 1.01,490 1.343,491 1.151,492 1.11,493 1.151,494 1.42,495 1.073,496 1.298,497 0.946,498 0.974,499 0.885,500 1.356,501 0.965,502 0.874,503 0.972,504 0.861,505 0.974,506 0.864,507 0.952,508 0.955,509 0.958,510 0.924,511 1.014,512 0.979,513 0.983,514 1.093,515 1.08,516 0.94,517 1.041,518 1.198,519 1.074,520 8.5,521 0.305,522 6.444,523 3.556,524 2.916,525 1.813,526 1.047,527 0.766,528 0.502,529 0.4,530 28539,531 78759,532 2.056,533 46.7,535 23,538 2,540 6,541 4,542 1.796,543 1.897,544 3.898,545 0.149,550 124.43,551 1.659,552 3.636,553 4.859,554 5.622,555 5.712,556 5.712,557 3.385,558 4.972,559 5.291,560 4.139,561 3228.57,562 9.318,563 57420.5,568 467.161,569 1.61,570 5.234,571 0.193,572 0.008,573 0.101,574 0.051,575 0.044,576 0.031,577 0.018,578 0.013,579 0.01,580 0.01,581 0.479,582 0.17,583 0.75,584 0.706,585 228.379,586 0.05,587 -0.143,588 0.133,589 -0.05,590 -0.076,591 0.024,592 0.166,593 0.111,594 0.07,595 0.099,596 0.18,597 0.046,598 -0.027,599 0.006,600 -0.016,601 -0.023,602 0.03,603 -0.011,604 -0.134,605 -0.145,606 -0.083,607 -0.126,608 -0.123,609 -0.104,610 -0.051,611 0.017,612 -0.048,613 0.044,614 -0.02,615 -0.018,616 0.009,617 0.032,618 0.06,619 0.033,620 0.001,621 0.035,622 0.025,623 0.02,624 0.013,625 -0.026,626 0.015,627 0.002,628 -0.112,629 -0.13,630 -0.076,631 -0.087,632 -0.13,633 -0.092,634 4.769,635 6.661,636 0.675,637 55.965,638 1.003,639 1.125,640 3.092,641 9.562,642 0.674,643 3.807,644 4.174,645 4.477,646 4.71,647 4.898,648 4.97,649 5.088,650 5.153,651 5.303,652 5.38,653 9.313,654 0.632,655 583.21,656 3.807,657 5.38,658 6.252,659 7.148,660 8.034,661 8.933,662 9.825,663 10.726,664 11.623,665 12.526,666 5.3,669 2,673 2,680 2,681 10,686 4,688 17,691 1,702 1,703 75,705 21,706 3,707 44,709 79,710 30,711 16,712 6,713 10,714 1,717 5,718 6,719 1,724 6,727 7,729 18,730 12,733 4,736 1,737 4,741 2,747 35,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,805 40,806 1,808 1,810 9,814 2,815 3,824 1,825 5.3,828 4,832 21.083,833 13.41,834 8.639,835 4.658,836 3.269,837 1.377,838 0.99,839 8.719,840 11.944,841 4.052,842 4.654,843 5.192,844 5.692,845 6.2,846 6.462,847 6.846,848 7.059,849 7.421,850 7.372,851 1,852 70,853 15.282,854 7.027,855 7.863,856 28.726,857 24.814,859 2.363,860 94.528,864 388.446,865 156.039,866 40.664,867 39.149,868 94.603,870 5.807,871 150.232,872 522.198,873 40.664,874 8.396,875 57.117,876 100.57,877 104.012,878 21.211,880 388.446,881 39.149,882 388.446,883 190.896,884 94.603,885 44.956,887 270.735,888 212.314,891 61.76,892 129.137,893 44.956,895 388.446,896 135.267,897 195.188,899 5.807,900 388.446,901 47.073,902 110.926,904 166.649,905 388.446,906 135.267,907 195.188,909 0.596,910 0.361,911 0.188,912 0.095,913 31,914 15,915 0.101,916 8,917 1,918 1.074,919 4.879,920 402.888,921 0.074,922 27,923 206.877,927 1,928 28.877,929 12.077,930 6.038,931 1.54,932 135.267,933 17.767,938 2.252,940 32.897,941 718.902,942 56.5,945 -3.852,946 52.67,950 -0.554,952 75.254,953 84.338,954 0.266,955 0.584,956 0.78,957 0.903,958 0.917,959 0.917,960 5.329,961 1.962,962 6.279,963 6.08,964 4.86,965 5.342,966 2.436,967 7.163,968 4.785,969 6.553,970 1.771,971 7.898,972 5.323,973 4.635,974 5.4,975 1.738,976 8.382,977 4.472,978 7.899,979 1.612,980 9.632,981 5.199,982 6.558,983 7.611,984 3.186,985 11.489,986 6.392,987 9.287,988 1.488,989 11.437,990 4.222,991 7.171,992 8.524,993 3.217,994 13.571,995 6.909,996 10.716,997 1.393,998 13.291,999 3.631,1000 8.607,1001 10.285,1002 4.316,1003 16.291,1004 8.327,1005 12.174,1006 1.046,1007 15.179,1008 3.217,1009 9.572,1010 11.555,1011 4.678,1012 18.702,1013 9.2,1014 13.654,1015 1,1016 17.093,1017 2.657,1018 10.85,1019 13.168,1020 5.586,1021 21.334,1022 10.439,1023 3.57,1024 1,1025 19.028,1026 2.305,1027 11.965,1028 14.59,1029 6.104,1030 23.876,1031 11.466,1032 3.05,1033 13.988,1034 20.98,1035 2.275,1036 13.198,1037 16.153,1038 6.911,1039 26.496,1040 12.641,1041 2.968,1042 10.275,1043 22.946,1044 4.797,1045 14.38,1046 17.641,1047 7.507,1048 29.091,1049 13.737,1050 2.956,1051 9.936,1052 24.924,1053 4.374,1054 15.608,1055 19.188,1056 8.258,1057 31.716,1058 14.894,1059 2.606,1060 9.741,1061 26.913,1062 3.928,1063 16.823,1064 20.706,1065 8.895,1066 34.334,1067 16.023,1068 2.351,1069 8.261,1070 28.91,1071 3.323,1072 18.058,1073 22.251,1074 9.617,1075 36.964,1076 17.177,1077 2.029,1078 6.931,1079 30.914,1080 2.91,1081 19.291,1082 23.785,1083 10.276,1084 39.593,1085 18.323,1086 26799,1087 44775,1088 28.838,1089 50.529,1090 67.218,1091 69.839,1092 69.654,1093 67.38,1094 67.078,1095 84.581,1096 9.53,1097 201.254,1098 64.616,1099 5.96,1100 6.734,1101 7.42,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 23.024,1109 1.528,1110 1.587,1111 1.583,1112 1.531,1113 1.525,1114 1.922,1115 0.217,1116 4.574,1117 1.469,1118 4.171,1119 4.168,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.98,1125 4.018,1126 4.084,1127 3.901,1128 7.438,1129 3.898,1130 3.942,1131 3.964,1132 3.912,1133 3.869,1134 7.426,1135 3.824,1136 3.849,1137 3.893,1138 3.79,1139 3.715,1140 6.999,1141 3.703,1142 3.652,1143 3.654,1144 3.628,1145 3.555,1146 4.998,1147 3.522,1148 3.478,1149 3.552,1150 3.466,1151 3.281,1152 4.901,1153 3.283,1154 3.34,1155 3.394,1156 3.343,1157 3.193,1158 4.674,1159 3.151,1160 3.291,1161 3.357,1162 3.258,1163 3.102,1164 4.508,1165 3.117,1166 0.113,1167 0.108,1168 0.176,1169 0.102,1170 0.081,1171 4.96,1172 0.109,1173 4.734,1174 0.045,1175 7.737,1176 0.318,1177 4.499,1178 0.075,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.431,1189 2.154,1190 1.946,1191 1.919,1192 2.081,1193 2.069,1194 1.326,1195 2.076,1196 1.843,1197 1.791,1198 2.015,1199 1.998,1200 1.235,1201 2.005,1202 1.715,1203 1.731,1204 1.859,1205 1.857,1206 1.212,1207 1.879,1208 1.609,1209 1.556,1210 1.73,1211 1.781,1212 1.068,1213 1.811,1214 1.458,1215 1.394,1216 1.656,1217 1.661,1218 0.907,1219 1.684,1220 1.379,1221 1.32,1222 1.608,1223 1.554,1224 0.825,1225 1.574,1226 1.24,1227 1.184,1228 1.545,1229 1.528,1230 0.759,1231 1.506,1232 4.489,1233 5.844,1234 2.398,1235 7.397,1236 4.595,1237 9.038,1238 6.629,1239 10.724,1241 1.799,1242 6.266,1245 5.516,1247 6.296,1251 -0.65,1252 5.478,1257 47.388,1258 124.43,1259 272.681,1260 364.432,1261 421.652,1262 428.407,1263 428.407,1264 112.017,1265 8.676,1266 104.02,1267 112.4,1268 29,1269 13.047,1270 4.459,1271 3.755,1272 64.261,1273 223,1274 204,1275 0.137,1276 294.926,1277 519.54,1278 711.379,1279 93708,1280 1.3,1281 28.441,1282 0.711,1283 0.605,1284 29.191,1285 24.203,1286 19.163,1287 0.436,1288 0.353,1289 13.737,1290 17.521,1291 13.28,1292 10.904,1293 20.24,1294 15.552,1295 17.894,1296 0.28,1297 0.203,1298 19.565,1299 12.988,1300 15.493,1301 0.178,1302 0.121,1303 17.166,1304 10.56,1305 12.549,1306 0.114,1307 0.072,1308 14.108,1309 7.927,1310 9.647,1311 0.073,1312 0.042,1313 11.046,1314 5.58,1315 0.221,1316 130.232,1317 0.186,1318 36.369,1319 0.359,1320 216,1321 606.254,1322 288.414,1323 635.976,1324 847.82,1325 586,1326 259,1327 563.296,1328 337.619,1329 618.101,1330 909.36,1331 581,1332 6.62}
{0 CHEMBL245931,1 1.778,2 15.732,3 5.971,4 35.652,5 155.515,6 8.219,7 0.378,8 4.401,9 4.505,10 4.144,11 3.978,12 5.434,13 3.937,14 5.026,15 5.193,16 4.561,17 4.414,18 6.466,19 4.358,20 5.316,21 5.515,22 4.661,23 4.632,24 6.39,25 4.531,26 5.473,27 5.676,28 4.687,29 4.631,30 6.672,31 4.547,32 5.502,33 5.736,34 4.537,35 4.563,36 6.754,37 4.464,38 5.393,39 5.636,40 4.496,41 4.543,42 6.44,43 4.415,44 5.392,45 5.622,46 4.5,47 4.547,48 6.478,49 4.432,50 5.409,51 5.655,52 4.33,53 4.477,54 6.487,55 4.355,56 0.147,57 1.282,58 16.189,59 7.701,60 34.848,61 8.995,62 1.162,63 2.492,64 32.425,65 13.089,66 179.327,67 15.927,68 0.71,69 2.609,70 52.041,71 19.393,72 88.042,73 23.368,74 1.179,75 2.897,76 64.519,77 21.477,78 193.672,79 24.907,80 1.772,81 2.906,82 67.071,83 20.992,84 292.359,85 24.788,86 1.296,87 2.65,88 63.339,89 20.03,90 161.93,91 24.535,92 1.118,93 2.525,94 59.559,95 19.998,96 173.688,97 24.924,98 1.265,99 2.706,100 60.672,101 20.213,102 219.935,103 24.398,104 66,105 67,106 0.274,107 0.547,108 0.734,109 0.849,110 0.867,111 0.871,112 3.741,113 1.042,114 -5.78,115 -5.64,116 -5.25,119 40.5,121 5,124 1,125 4,127 2,131 1,138 10,139 4,140 2,151 1,163 15,165 4,166 7,172 20,175 2,176 9,183 15,186 1,187 16,194 10,197 4,198 10,205 9,208 1,209 9,217 10,220 1,221 16,227 8,231 8,238 8,241 2,242 6,249 9,252 3588,253 26.865,254 26.865,255 26.865,256 26.865,257 26.865,258 24.495,259 29.752,260 15.285,261 27.626,262 22.132,263 22.132,264 22.132,265 22.132,266 22.132,267 18.405,268 36.945,269 7.151,270 23.485,271 4.432,272 2.665,273 1.452,274 0.706,275 0.588,276 0.561,277 4.436,279 1,284 1398,285 5,287 127.838,288 541.518,292 203.496,295 2.714,296 76.285,299 0.5,300 0.67,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.72,307 91.333,308 645,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 3.825,316 13.988,317 3.303,318 4.534,319 4.471,320 7.247,321 4.256,322 3.375,323 4.374,324 1.985,325 12.232,326 3.028,327 4.468,328 3.86,329 6.607,330 4.016,331 3.05,332 3.993,333 0.8,334 10.275,335 2.941,336 4.158,337 3.205,338 6.457,339 3.923,340 2.963,341 3.323,342 0.624,343 9.936,344 2.83,345 3.697,346 2.965,347 6.008,348 3.566,349 2.619,350 2.91,351 0.375,352 8.262,353 2.478,354 3.634,355 2.823,356 5.603,357 3.368,358 2.441,359 2.862,361 7.412,362 2.216,363 3.488,364 2.7,365 5.392,366 3.211,367 2.291,368 2.657,370 6.839,371 2.074,372 3.332,373 2.479,374 5.235,375 2.958,376 2.021,377 2.499,379 6.074,380 1.857,381 3.161,382 2.318,383 4.993,384 2.752,385 1.776,386 2.337,388 5.259,389 1.702,390 2.961,391 1.666,392 4.554,393 2.611,394 1.614,395 2.107,397 4.228,398 1.607,399 2.9,400 1.649,401 4.158,402 2.489,403 1.495,404 2.052,406 3.634,407 1.485,408 2.825,409 1.5,410 4.107,411 2.381,412 1.393,413 1.836,415 3.537,416 1.366,417 2.584,418 1.341,419 3.941,420 2.12,421 1.159,422 1.617,424 2.828,425 1.095,426 2.368,427 1.314,428 3.618,429 2.01,430 1.046,431 1.307,433 2.657,434 1.006,435 2.072,436 1.206,437 3.483,438 1.984,439 1,440 1.062,442 2.275,443 0.983,444 19.605,445 0.478,446 1.381,447 0.034,448 46.75,449 1.14,450 20.5,451 0.5,452 26.25,453 0.64,454 46.107,455 1.125,456 46.395,457 0.627,458 43.568,459 1.063,460 8.794,461 0.214,462 10.669,463 0.26,464 0.157,465 0.068,466 0.291,469 3,472 0.495,473 1.156,474 0.685,475 1.187,476 0.556,477 1,478 0.479,479 0.797,480 0.71,481 0.852,482 0.382,483 0.91,484 0.646,485 0.892,486 0.977,487 1.102,488 0.554,489 1.018,490 1.086,491 1.029,492 1.069,493 1.139,494 1.136,495 1.068,496 1.227,497 0.914,498 1,499 0.851,500 1.253,501 0.943,502 0.833,503 0.776,504 0.9,505 0.945,506 0.85,507 0.966,508 0.718,509 0.82,510 0.895,511 1.046,512 0.763,513 1.029,514 1.124,515 1.021,516 0.967,517 1.001,518 1.179,519 1.053,520 10,521 0.338,522 6.889,523 3.931,524 3.054,525 1.931,526 1.129,527 0.828,528 0.523,529 0.435,530 30342,531 97797,532 2.035,533 44.6,535 23,540 6,541 4,542 1.802,543 1.864,544 3.895,545 -0.727,550 131.563,551 1.778,552 3.544,553 4.757,554 5.503,555 5.621,556 5.649,557 3.373,558 4.979,559 5.329,560 4.159,561 3410.18,562 9.39,563 61888.5,568 459.5,569 1.706,570 5.258,571 0.222,572 0.008,573 0.103,574 0.055,575 0.044,576 0.032,577 0.019,578 0.014,579 0.01,580 0.01,581 0.517,582 0.17,583 0.63,584 0.721,585 235.878,586 0.035,587 -0.13,588 0.123,589 -0.075,590 -0.066,591 0.005,592 0.319,593 0.246,594 0.094,595 0.114,596 0.348,597 0.038,598 -0.004,599 -0.045,600 0.004,601 -0.042,602 0.048,603 -0.009,604 -0.116,605 -0.154,606 -0.068,607 -0.128,608 -0.096,609 -0.093,610 -0.112,611 0.018,612 -0.064,613 0.073,614 -0.076,615 0.008,616 -0.009,617 0.113,618 0.02,619 0.052,620 -0.03,621 0.026,622 0.019,623 -0.067,624 0.015,625 -0.073,626 0.008,627 -0.028,628 -0.133,629 -0.068,630 -0.082,631 -0.051,632 -0.141,633 -0.064,634 5.629,635 6.64,636 0.659,637 57.209,638 1.017,639 1.136,640 4.546,641 20.663,642 0.671,643 3.829,644 4.22,645 4.5,646 4.736,647 4.92,648 4.99,649 5.112,650 5.17,651 5.318,652 5.403,653 9.475,654 0.64,655 608.18,656 3.829,657 5.416,658 6.286,659 7.192,660 8.077,661 8.984,662 9.876,663 10.783,664 11.678,665 12.586,666 4.1,669 2,673 1,680 2,681 10,686 4,688 17,702 1,703 74,705 20,706 3,707 45,709 78,710 30,711 16,712 6,713 10,717 5,718 6,719 1,721 1,724 6,726 1,727 7,729 17,730 13,733 3,736 1,737 3,741 1,745 3,747 33,748 9,750 11,751 2,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,803 3,805 41,808 1,810 9,814 2,815 3,816 1,824 4,825 4.1,828 3,832 22,833 13.338,834 8.694,835 4.64,836 3.202,837 1.366,838 0.989,839 8.803,840 11.944,841 4.052,842 4.663,843 5.192,844 5.692,845 6.2,846 6.462,847 6.846,848 7.059,849 7.421,850 7.372,851 1,852 72,853 16.139,854 7.873,855 8.112,856 29.029,857 25.175,859 2.612,860 107.111,864 388.446,865 159.094,866 7.767,867 39.149,868 69.458,869 44.88,870 5.807,871 153.287,872 497.053,873 52.648,874 8.396,875 24.22,876 100.57,877 74.163,878 66.092,880 388.446,881 46.908,882 388.446,883 161.054,884 114.338,885 44.956,887 270.735,888 232.049,891 36.622,892 124.432,893 44.956,895 433.327,896 77.225,897 198.243,899 5.807,900 396.206,901 42.369,902 110.926,904 153.487,905 388.446,906 122.105,907 198.243,909 0.603,910 0.357,911 0.184,912 0.094,913 33,914 16,915 0.09,916 7,917 1,918 1.074,919 4.907,920 418.111,921 0.074,922 27,923 208.905,927 1,928 30.005,929 12.028,930 6.328,931 1.476,932 122.105,933 15.824,938 0.365,941 708.795,942 56.5,945 -3.904,946 40.875,950 -0.215,952 75.247,953 84.065,954 0.286,955 0.571,956 0.766,957 0.886,958 0.905,959 0.91,960 5.348,961 2.021,962 6.34,963 6.839,964 4.905,965 5.352,966 3.379,967 7.251,968 4.791,969 6.587,970 1.776,971 7.979,972 6.074,973 4.796,974 5.453,975 3.994,976 8.579,977 4.521,978 7.945,979 1.614,980 9.736,981 5.259,982 6.658,983 7.627,984 5.511,985 11.652,986 6.407,987 9.345,988 1.495,989 11.565,990 4.228,991 7.353,992 8.557,993 6.719,994 13.788,995 6.947,996 10.784,997 1.393,998 13.441,999 3.634,1000 8.767,1001 10.305,1002 8.08,1003 16.499,1004 8.353,1005 12.25,1006 1.159,1007 15.349,1008 3.537,1009 9.781,1010 11.579,1011 9.397,1012 18.923,1013 9.236,1014 13.737,1015 1.046,1016 17.28,1017 2.828,1018 11.057,1019 13.188,1020 10.74,1021 21.547,1022 10.471,1023 3.57,1024 1,1025 19.229,1026 2.657,1027 12.2,1028 14.61,1029 12.077,1030 24.082,1031 11.504,1032 3.375,1033 13.988,1034 21.193,1035 2.275,1036 13.438,1037 16.17,1038 13.418,1039 26.689,1040 12.678,1041 3.05,1042 12.232,1043 23.167,1044 4.797,1045 14.634,1046 17.657,1047 14.759,1048 29.27,1049 13.778,1050 2.963,1051 10.275,1052 25.151,1053 4.374,1054 15.866,1055 19.202,1056 16.1,1057 31.879,1058 14.934,1059 2.619,1060 9.936,1061 27.142,1062 3.993,1063 17.087,1064 20.72,1065 17.441,1066 34.482,1067 16.065,1068 2.441,1069 8.262,1070 29.14,1071 3.323,1072 18.323,1073 22.263,1074 18.783,1075 37.097,1076 17.219,1077 2.291,1078 7.412,1079 31.144,1080 2.91,1081 19.557,1082 23.796,1083 20.125,1084 39.712,1085 18.366,1086 28572,1087 51554,1088 29.126,1089 49.642,1090 69.404,1091 70.69,1092 71.232,1093 69.664,1094 69.117,1095 85.537,1096 15.221,1097 212.095,1098 65.182,1099 5.96,1100 6.734,1101 7.418,1102 5.576,1103 5.57,1104 7.797,1105 5.335,1106 22.438,1107 5.303,1108 25.111,1109 1.542,1110 1.571,1111 1.583,1112 1.548,1113 1.536,1114 1.901,1115 0.338,1116 4.713,1117 1.448,1118 4.171,1119 4.168,1120 4.747,1121 4.151,1122 8.513,1123 4.101,1124 3.982,1125 4.021,1126 4.084,1127 3.899,1128 7.999,1129 3.898,1130 3.943,1131 3.967,1132 3.926,1133 3.869,1134 7.999,1135 3.824,1136 3.85,1137 3.895,1138 3.793,1139 3.715,1140 7.715,1141 3.703,1142 3.652,1143 3.654,1144 3.629,1145 3.555,1146 7.427,1147 3.522,1148 3.478,1149 3.552,1150 3.466,1151 3.28,1152 6.999,1153 3.283,1154 3.319,1155 3.37,1156 3.357,1157 3.193,1158 4.998,1159 3.151,1160 3.291,1161 3.353,1162 3.313,1163 3.101,1164 4.699,1165 3.099,1166 0.11,1167 0.105,1168 0.172,1169 0.1,1170 0.079,1171 4.96,1172 0.107,1173 4.734,1174 0.085,1175 7.737,1176 0.311,1177 4.499,1178 0.073,1179 3.57,1180 4.797,1181 3.825,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.431,1189 2.154,1190 1.943,1191 1.915,1192 2.079,1193 2.069,1194 1.326,1195 2.075,1196 1.842,1197 1.791,1198 2.012,1199 1.999,1200 1.239,1201 2.003,1202 1.715,1203 1.731,1204 1.858,1205 1.857,1206 1.213,1207 1.878,1208 1.609,1209 1.555,1210 1.73,1211 1.781,1212 1.068,1213 1.811,1214 1.458,1215 1.394,1216 1.656,1217 1.66,1218 0.911,1219 1.683,1220 1.379,1221 1.32,1222 1.608,1223 1.546,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.468,1230 0.759,1231 1.503,1232 4.511,1233 5.883,1234 2.398,1235 7.448,1236 4.595,1237 9.098,1238 6.629,1239 10.791,1241 1.726,1242 6.247,1243 40.006,1247 4.791,1251 -0.828,1252 5.125,1253 -4.379,1257 47.329,1258 131.563,1259 262.264,1260 352.016,1261 407.235,1262 415.99,1263 417.99,1264 131.473,1265 8.743,1266 60.93,1267 69.31,1268 29,1269 13.105,1270 4.392,1271 3.644,1272 66.757,1273 234,1274 195,1275 0.136,1276 290.657,1277 520.6,1278 700.963,1279 102063,1280 5.4,1281 29.363,1282 0.716,1283 0.594,1284 27.613,1285 24.351,1286 19.463,1287 0.433,1288 0.347,1289 13.759,1290 17.635,1291 13.356,1292 10.911,1293 19.329,1294 15.627,1295 18.958,1296 0.283,1297 0.196,1298 18.634,1299 13.121,1300 15.691,1301 0.176,1302 0.119,1303 16.631,1304 10.6,1305 12.77,1306 0.113,1307 0.07,1308 13.457,1309 7.963,1310 9.805,1311 0.072,1312 0.041,1313 10.577,1314 5.603,1315 0.22,1316 133.419,1317 0.185,1318 37.072,1319 0.356,1320 224,1321 809.539,1322 310.19,1323 748.271,1324 973.74,1325 688,1326 268,1327 634.815,1328 354.602,1329 670.305,1330 1007.84,1331 629,1332 6.377}
{0 CHEMBL246123,1 1.649,2 15.316,3 4.083,4 16.668,5 149.167,6 7.917,7 0.405,8 4.338,9 4.441,10 4.07,11 3.942,12 5.345,13 3.888,14 4.937,15 5.102,16 4.432,17 4.376,18 6.063,19 4.3,20 5.257,21 5.453,22 4.576,23 4.58,24 6.298,25 4.469,26 5.376,27 5.572,28 4.573,29 4.559,30 6.538,31 4.463,32 5.37,33 5.587,34 4.444,35 4.497,36 6.6,37 4.39,38 5.296,39 5.525,40 4.429,41 4.502,42 6.299,43 4.365,44 5.343,45 5.579,46 4.392,47 4.494,48 6.404,49 4.362,50 5.274,51 5.514,52 4.199,53 4.41,54 6.302,55 4.261,56 0.075,57 1.01,58 16.445,59 7.06,60 17.522,61 8.721,62 0.483,63 1.735,64 29.991,65 11.963,66 57.746,67 15.431,68 0.474,69 2.258,70 50.611,71 18.092,72 71.326,73 22.109,74 0.783,75 2.346,76 59.958,77 19.398,78 142.816,79 22.895,80 1.151,81 2.284,82 57.411,83 18.331,84 207.26,85 22.486,86 0.628,87 2.26,88 56.233,89 18.806,90 98.864,91 23.425,92 0.852,93 2.278,94 58.125,95 19.192,96 133.516,97 24.198,98 0.67,99 2.102,100 51.733,101 18.024,102 137.204,103 23.322,104 37,105 61,106 0.256,107 0.528,108 0.717,109 0.84,110 0.858,111 0.858,112 3.668,113 1.061,114 -4.61,115 -4.53,116 -4.26,119 41.4,121 5,124 1,125 3,127 2,138 11,139 3,140 2,151 2,163 15,165 5,166 8,172 20,175 2,176 10,183 15,186 1,187 20,194 10,197 4,198 12,205 9,208 2,209 10,217 10,220 1,221 16,227 8,230 1,231 8,238 8,241 3,242 7,249 9,252 2938,253 25.393,254 25.393,255 25.393,256 25.393,257 25.393,258 22.855,259 28.003,260 14.646,261 25.873,262 20.654,263 20.654,264 20.654,265 20.654,266 20.654,267 16.705,268 36.247,269 6.875,270 21.465,271 4.481,272 2.73,273 1.519,274 0.725,275 0.611,276 0.611,277 4.367,279 1,283 1,284 1275,285 4.528,287 118.144,288 499.29,292 185.813,295 2.49,296 55.396,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 81.833,308 582,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 2.015,316 13.988,317 3.303,318 4.468,319 3.861,320 6.608,321 4.019,322 3.053,323 4.374,324 1.985,325 10.276,326 2.943,327 4.164,328 3.744,329 6.457,330 3.932,331 2.97,332 3.491,333 0.625,334 9.937,335 2.843,336 4.043,337 3.205,338 6.081,339 3.79,340 2.817,341 3.324,342 0.624,343 8.747,344 2.739,345 3.776,346 2.87,347 5.97,348 3.498,349 2.525,350 3.035,351 0.375,352 8.152,353 2.452,354 3.578,355 2.663,356 5.347,357 3.346,358 2.38,359 2.906,360 0.111,361 6.874,362 2.289,363 3.435,364 2.573,365 5.293,366 2.98,367 2.034,368 2.578,370 6.111,371 1.898,372 3.178,373 2.324,374 5.002,375 2.801,376 1.826,377 2.449,379 5.313,380 1.735,381 3.014,382 2.204,383 4.584,384 2.63,385 1.632,386 2.132,388 4.305,389 1.627,390 2.901,391 1.665,392 4.136,393 2.509,394 1.518,395 2.054,397 3.674,398 1.5,399 2.847,400 1.561,401 4.103,402 2.384,403 1.395,404 1.901,406 3.561,407 1.368,408 2.542,409 1.5,410 3.903,411 2.233,412 1.228,413 1.5,415 2.877,416 1.225,417 2.5,418 1.263,419 3.54,420 2,421 1,422 1.47,424 2.465,425 1,426 2.368,427 1.201,428 3.467,429 1.984,430 1,431 1.307,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.914,439 0.941,440 1,442 2.149,443 0.911,444 18.581,445 0.489,446 1.092,447 0.029,448 46.25,449 1.217,450 22,451 0.579,452 24.25,453 0.638,454 39.587,455 1.042,456 41.419,457 0.592,458 40.031,459 1.053,460 8.651,461 0.228,462 9.601,463 0.253,464 0.137,465 0.045,466 0.307,472 0.498,473 1.402,474 0.717,475 1.173,476 0.547,477 0.982,478 0.616,479 1.066,480 0.753,481 0.879,482 0.513,483 0.922,484 0.942,485 1.071,486 1.058,487 1.096,488 0.828,489 1.002,490 1.536,491 1.104,492 1.141,493 1.111,494 1.656,495 1.03,496 1.484,497 0.908,498 1.006,499 0.851,500 1.567,501 0.93,502 0.93,503 1.067,504 0.891,505 1.038,506 0.94,507 0.998,508 1.001,509 0.944,510 0.934,511 1.004,512 1.041,513 0.977,514 0.976,515 1.069,516 0.905,517 1.026,518 1.055,519 1.047,520 8,521 0.308,522 6,523 3.368,524 2.845,525 1.667,526 0.965,527 0.719,528 0.482,529 0.379,530 24589,531 66523,532 2.075,533 45.7,535 22,539 2,540 4,541 4,542 1.785,543 1.924,544 3.875,545 -0.758,550 115.413,551 1.649,552 3.399,553 4.61,554 5.404,555 5.518,556 5.518,557 3.399,558 4.86,559 5.215,560 4.06,561 2854.33,562 9.175,563 47992.2,568 429.05,569 1.584,570 5.165,571 0.19,572 0.008,573 0.098,574 0.051,575 0.045,576 0.029,577 0.018,578 0.014,579 0.011,580 0.009,581 0.473,582 0.17,583 0.75,584 0.559,585 212.634,586 0.079,587 -0.207,588 0.143,589 -0.083,590 -0.059,591 0.005,592 0.182,593 0.083,594 0.064,595 0.075,596 0.139,597 0.021,598 -0.036,599 0.011,600 -0.025,601 -0.034,602 0.009,603 -0.021,604 -0.179,605 -0.1,606 -0.091,607 -0.092,608 -0.171,609 -0.08,610 -0.085,611 0.069,612 -0.064,613 0.079,614 -0.04,615 0.001,616 -0.006,617 -0.046,618 0.034,619 -0.019,620 -0.002,621 -0.014,622 0.019,623 0.036,624 0.009,625 -0.02,626 0.013,627 0.004,628 -0.019,629 -0.122,630 -0.034,631 -0.066,632 -0.022,633 -0.058,634 4.778,635 6.623,636 0.711,637 50.803,638 1.004,639 1.12,640 3.382,641 11.44,642 0.682,643 3.761,644 4.127,645 4.431,646 4.663,647 4.86,648 4.942,649 5.069,650 5.136,651 5.268,652 5.323,653 8.754,654 0.641,655 554.16,656 3.761,657 5.333,658 6.205,659 7.099,660 7.986,661 8.885,662 9.778,663 10.68,664 11.578,665 12.482,666 4.3,669 1,673 2,680 2,681 11,686 3,688 17,702 1,703 70,705 21,706 3,707 42,709 74,710 29,711 16,712 5,713 11,717 5,718 6,719 1,724 6,727 7,729 18,730 11,733 4,736 1,737 4,741 2,747 32,748 7,750 9,751 2,755 3,760 0.8,761 4,773 1,775 1,776 4,780 1,784 2,796 4,799 1,801 1,802 1,805 38,808 1,810 8,814 2,815 3,824 1,825 5.7,828 4,832 19.75,833 12.66,834 8.194,835 4.386,836 2.986,837 1.352,838 0.99,839 7.992,840 11.474,841 4.016,842 4.615,843 5.14,844 5.635,845 6.152,846 6.411,847 6.811,848 7.059,849 7.398,850 7.339,851 1,852 66,853 14.569,854 6.746,855 7.852,856 27.342,857 23.662,859 2.352,860 89.361,864 376.675,865 160.224,866 7.767,867 39.149,868 94.603,870 5.807,871 154.417,872 510.427,873 7.767,874 8.396,875 25.238,876 110.046,877 104.012,878 14.901,880 376.675,881 39.149,882 376.675,883 162.184,884 94.603,885 44.956,887 282.506,888 188.772,891 26.757,892 135.427,893 44.956,895 376.675,896 102.37,897 199.373,899 5.807,900 376.675,901 41.782,902 120.402,904 133.751,905 376.675,906 102.37,907 199.373,909 0.595,910 0.36,911 0.186,912 0.095,913 30,914 14,915 0.081,916 6,917 1,918 1.074,919 4.743,920 378.727,921 0.074,922 27,923 189.421,927 1,928 26.988,929 11.253,930 5.592,931 1.529,932 102.37,933 19.99,938 1.721,941 678.418,942 54.5,945 -3.861,946 53.554,950 -0.086,952 70.269,953 78.425,954 0.269,955 0.555,956 0.752,957 0.882,958 0.9,959 0.9,960 5.29,961 1.826,962 6.229,963 6.111,964 4.812,965 5.303,966 2.783,967 7.111,968 4.735,969 6.511,970 1.632,971 7.845,972 5.313,973 4.575,974 5.338,975 2.262,976 8.326,977 4.401,978 7.854,979 1.518,980 9.577,981 4.305,982 6.509,983 7.562,984 3.791,985 11.437,986 6.332,987 9.24,988 1.395,989 11.382,990 3.674,991 7.116,992 8.455,993 3.903,994 13.523,995 6.83,996 10.666,997 1.228,998 13.236,999 3.561,1000 8.557,1001 10.225,1002 5.025,1003 16.249,1004 8.253,1005 12.121,1006 1,1007 15.125,1008 2.877,1009 9.521,1010 11.485,1011 5.41,1012 18.667,1013 9.111,1014 13.6,1015 1,1016 17.042,1017 2.465,1018 10.802,1019 13.106,1020 6.335,1021 21.306,1022 10.351,1023 3.57,1024 0.941,1025 18.979,1026 2.275,1027 11.919,1028 14.527,1029 6.859,1030 23.854,1031 11.368,1032 3.053,1033 13.988,1034 20.934,1035 2.149,1036 13.156,1037 16.097,1038 7.68,1039 26.48,1040 12.544,1041 2.97,1042 10.276,1043 22.904,1044 4.797,1045 14.341,1046 17.588,1047 8.279,1048 29.079,1049 13.636,1050 2.817,1051 9.937,1052 24.885,1053 4.374,1054 15.572,1055 19.141,1056 9.044,1057 31.707,1058 14.793,1059 2.525,1060 8.747,1061 26.877,1062 3.491,1063 16.791,1064 20.665,1065 9.685,1066 34.327,1067 15.921,1068 2.38,1069 8.152,1070 28.878,1071 3.324,1072 18.028,1073 22.215,1074 10.419,1075 36.959,1076 17.078,1077 2.034,1078 6.874,1079 30.886,1080 3.035,1081 19.265,1082 23.754,1083 11.083,1084 39.589,1085 18.226,1086 22941,1087 37988,1088 27.739,1089 47.762,1090 64.073,1091 67.007,1092 66.128,1093 64.199,1094 63.936,1095 81.187,1096 11.471,1097 191.451,1098 61.565,1099 5.96,1100 6.734,1101 7.538,1102 5.576,1103 5.57,1104 7.797,1105 3.529,1106 22.438,1107 5.303,1108 20.086,1109 1.526,1110 1.595,1111 1.574,1112 1.529,1113 1.522,1114 1.933,1115 0.273,1116 4.558,1117 1.466,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.967,1125 4.007,1126 4.084,1127 3.876,1128 7.429,1129 3.867,1130 3.93,1131 3.953,1132 3.882,1133 3.863,1134 7.425,1135 3.821,1136 3.84,1137 3.883,1138 3.777,1139 3.712,1140 6.999,1141 3.701,1142 3.653,1143 3.652,1144 3.636,1145 3.555,1146 4.998,1147 3.523,1148 3.487,1149 3.544,1150 3.468,1151 3.275,1152 4.746,1153 3.296,1154 3.302,1155 3.353,1156 3.383,1157 3.193,1158 4.508,1159 3.153,1160 3.279,1161 3.297,1162 3.188,1163 3.1,1164 4.336,1165 3.103,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.048,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 2.015,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.412,1189 2.154,1190 1.925,1191 1.894,1192 2.064,1193 2.06,1194 1.326,1195 2.063,1196 1.838,1197 1.789,1198 2.017,1199 1.98,1200 1.217,1201 1.996,1202 1.714,1203 1.73,1204 1.857,1205 1.854,1206 1.159,1207 1.877,1208 1.607,1209 1.555,1210 1.713,1211 1.779,1212 1.067,1213 1.809,1214 1.446,1215 1.39,1216 1.627,1217 1.651,1218 0.825,1219 1.664,1220 1.357,1221 1.313,1222 1.564,1223 1.536,1224 0.787,1225 1.549,1226 1.234,1227 1.182,1228 1.529,1229 1.462,1230 0.732,1231 1.49,1232 4.443,1233 5.796,1234 2.398,1235 7.349,1236 4.595,1237 8.988,1238 6.629,1239 10.672,1241 1.76,1242 6.255,1247 4.33,1251 -0.756,1252 4.924,1257 44.84,1258 115.413,1259 237.949,1260 322.731,1261 378.295,1262 386.295,1263 386.295,1264 105.059,1265 8.488,1266 78,1267 86.38,1268 29,1269 13.003,1270 4.459,1271 3.755,1272 59.356,1273 198,1274 220,1275 0.143,1276 278.539,1277 491.24,1278 671.395,1279 72099,1280 1.4,1281 26.863,1282 0.707,1283 0.605,1284 27.613,1285 22.996,1286 18.252,1287 0.435,1288 0.354,1289 13.056,1290 16.658,1291 12.608,1292 10.352,1293 19.329,1294 14.858,1295 16.975,1296 0.278,1297 0.204,1298 18.646,1299 12.418,1300 14.883,1301 0.179,1302 0.121,1303 16.556,1304 10.038,1305 12.005,1306 0.114,1307 0.072,1308 13.564,1309 7.524,1310 9.198,1311 0.072,1312 0.041,1313 10.597,1314 5.27,1315 0.229,1316 124.441,1317 0.19,1318 34.807,1319 0.379,1320 206,1321 584.941,1322 277.72,1323 613.441,1324 818.31,1325 566,1326 247,1327 542.155,1328 325.285,1329 595.435,1330 876.02,1331 560,1332 5}
{0 CHEMBL246124,1 1.671,2 14.486,3 3.611,4 13.039,5 143.789,6 7.967,7 0.415,8 4.318,9 4.411,10 4.157,11 3.931,12 5.294,13 3.866,14 4.928,15 5.082,16 4.481,17 4.365,18 6.177,19 4.283,20 5.24,21 5.427,22 4.614,23 4.577,24 6.319,25 4.455,26 5.393,27 5.577,28 4.58,29 4.547,30 6.62,31 4.458,32 5.356,33 5.557,34 4.449,35 4.488,36 6.633,37 4.39,38 5.301,39 5.529,40 4.357,41 4.498,42 6.312,43 4.348,44 5.328,45 5.573,46 4.295,47 4.457,48 6.315,49 4.305,50 5.225,51 5.459,52 4.188,53 4.332,54 6.38,55 4.197,56 0.136,57 1.031,58 19.029,59 7.322,60 27.46,61 8.508,62 0.652,63 1.757,64 30.627,65 12.217,66 86.818,67 14.96,68 0.483,69 2.321,70 54.71,71 19.377,72 76.763,73 21.98,74 1.022,75 2.435,76 64.346,77 20.07,78 188.837,79 21.874,80 1.268,81 2.292,82 55.048,83 17.868,84 233.896,85 21.17,86 0.72,87 2.289,88 54.106,89 19.097,90 108.754,91 23.722,92 0.766,93 2.279,94 59.88,95 19.822,96 132.471,97 24.322,98 0.911,99 2.018,100 51.47,101 16.779,102 183.762,103 21.05,104 37,105 61,106 0.26,107 0.501,108 0.653,109 0.78,110 0.837,111 0.846,112 3.642,113 1.127,114 -3.61,115 -3.58,116 -3.42,119 39.7,121 4,124 1,125 3,127 2,138 12,139 2,140 2,151 1,163 14,165 7,166 6,172 17,175 2,176 14,183 12,186 1,187 24,194 4,197 4,198 11,205 11,208 3,209 10,217 10,220 1,221 14,227 6,230 2,231 7,238 8,241 4,242 9,249 6,252 2613,253 24.581,254 24.581,255 24.581,256 24.581,257 24.581,258 21.977,259 24.529,260 14.073,261 25.069,262 20.158,263 20.158,264 20.158,265 20.158,266 20.158,267 16.059,268 33.759,269 6.567,270 20.965,271 4.417,272 2.875,273 1.899,274 1.079,275 0.717,276 0.658,277 4.34,283 1,284 1177,285 4.69,287 114.709,288 480.556,292 180.474,295 2.283,296 63.108,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 80.5,308 536,309 4.959,310 4.734,311 7.736,312 4.499,313 3.569,314 4.791,315 1.985,316 13.987,317 3.302,318 4.93,319 4.725,320 7.666,321 4.433,322 3.511,323 4.756,324 0.624,325 13.61,326 3.213,327 4.356,328 3.86,329 6.603,330 3.984,331 3.021,332 4.25,333 0.4,334 10.237,335 2.915,336 4.151,337 2.913,338 6.181,339 3.836,340 2.845,341 3.32,342 0.375,343 9.145,344 2.8,345 3.647,346 2.827,347 5.98,348 3.483,349 2.523,350 3.092,352 8.186,353 2.415,354 3.551,355 2.632,356 5.579,357 3.174,358 2.21,359 2.693,361 6.609,362 2.13,363 3.265,364 2.407,365 5.267,366 2.895,367 1.907,368 2.491,370 5.69,371 1.871,372 3.118,373 1.873,374 4.637,375 2.664,376 1.682,377 2.427,379 4.598,380 1.65,381 3.039,382 1.698,383 4.419,384 2.618,385 1.618,386 2.105,388 4.299,389 1.618,390 2.845,391 1.618,392 4.329,393 2.501,394 1.526,395 1.979,397 3.981,398 1.474,399 2.779,400 1.396,401 3.946,402 2.335,403 1.339,404 1.824,406 2.976,407 1.333,408 2.596,409 1.327,410 3.615,411 2.119,412 1.132,413 1.553,415 2.706,416 1.115,417 2.5,418 1.207,419 3.556,420 2,421 1,422 1.5,424 2.478,425 1,426 2.16,427 1.077,428 3.466,429 1.984,430 1,431 1.002,433 2.275,434 0.983,435 2,436 1.07,437 3.414,438 1.912,439 0.946,440 1,442 2.136,443 0.911,444 18.033,445 0.487,446 1.152,447 0.031,448 47,449 1.27,450 23.5,451 0.635,452 23.5,453 0.635,454 36.54,455 0.988,456 40.767,457 0.6,458 41.684,459 1.127,460 8.6,461 0.232,462 9.092,463 0.246,464 0.12,465 0.092,466 0.261,472 0.429,473 1.447,474 0.827,475 1.321,476 0.592,477 1.013,478 0.584,479 1.028,480 0.809,481 0.867,482 0.509,483 0.922,484 0.877,485 1.145,486 1.261,487 1.252,488 0.744,489 1.036,490 1.719,491 1.071,492 1.314,493 1.134,494 1.757,495 1.02,496 1.539,497 0.913,498 1.026,499 0.84,500 1.572,501 0.967,502 0.854,503 1.044,504 1.021,505 1.035,506 0.81,507 1.066,508 0.992,509 0.947,510 1.036,511 1.001,512 0.951,513 0.973,514 1.075,515 0.984,516 0.977,517 0.949,518 1.075,519 0.994,520 8.5,521 0.35,522 6.667,523 3.681,524 2.672,525 1.653,526 1.003,527 0.781,528 0.475,529 0.369,530 22162,531 60607,532 2.071,533 45.6,535 23,540 4,541 4,542 1.779,543 1.914,544 3.794,545 -0.724,550 113.621,551 1.671,552 3.212,553 4.188,554 5.008,555 5.37,556 5.429,557 3.264,558 4.831,559 5.18,560 3.963,561 2639.41,562 9.106,563 42724,568 413.947,569 1.657,570 5.119,571 0.207,572 0.009,573 0.109,574 0.055,575 0.042,576 0.029,577 0.019,578 0.016,579 0.011,580 0.009,581 0.507,582 0.33,583 0.63,584 0.566,585 204.086,586 0.15,587 -0.235,588 0.267,589 -0.119,590 -0.101,591 0.011,592 0.271,593 0.118,594 0.099,595 0.105,596 0.211,597 0.025,598 -0.013,599 -0.044,600 -0.051,601 -0.091,602 0.048,603 -0.025,604 -0.262,605 -0.06,606 -0.18,607 -0.093,608 -0.216,609 -0.079,610 -0.138,611 0.051,612 -0.111,613 0.049,614 -0.102,615 -0.048,616 0.002,617 -0.058,618 -0.056,619 -0.064,620 0.001,621 -0.073,622 -0.063,623 0.005,624 -0.023,625 -0.018,626 -0.04,627 0.027,628 -0.008,629 -0.052,630 -0.039,631 -0.023,632 0.017,633 -0.018,634 4.766,635 6.562,636 0.73,637 44.415,638 1.007,639 1.121,640 2.383,641 5.681,642 0.68,643 3.738,644 4.127,645 4.443,646 4.663,647 4.86,648 4.934,649 5.069,650 5.124,651 5.226,652 5.283,653 8.246,654 0.638,655 541.75,656 3.738,657 5.323,658 6.205,659 7.111,660 8.008,661 8.917,662 9.82,663 10.73,664 11.636,665 12.547,666 4.4,669 2,673 1,680 2,681 12,686 2,688 17,703 68,705 22,706 3,707 41,709 72,710 27,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 10,733 5,736 2,737 5,741 1,747 31,748 8,750 10,751 2,755 3,760 0.8,761 5,773 1,775 1,776 4,780 1,784 1,796 4,799 2,801 1,805 37,808 2,810 7,814 2,815 3,825 7.4,828 5,832 19.333,833 12.183,834 7.889,835 4.188,836 2.974,837 1.354,838 1.001,839 7.233,840 11.371,841 4.016,842 4.654,843 5.176,844 5.648,845 6.161,846 6.397,847 6.775,848 6.99,849 7.308,850 7.215,851 0.9,852 67,853 14.448,854 6.987,855 7.941,856 26.613,857 23.412,859 2.441,860 90.333,864 364.904,865 163.134,866 6.161,868 113.771,870 11.615,871 151.519,872 478.675,873 6.161,874 8.396,875 19.58,876 125.33,877 118.475,878 11.285,880 364.904,882 364.904,883 157.68,884 113.771,885 11.615,887 270.735,888 207.94,891 22.617,892 135.063,893 11.615,895 364.904,896 119.932,897 163.134,899 11.615,900 364.904,901 29.407,902 128.273,904 113.771,905 364.904,906 119.932,907 163.134,909 0.601,910 0.368,911 0.188,912 0.095,913 31,914 14,915 0.083,916 6,917 1,918 1.074,919 4.589,920 372.312,921 0.074,922 27,923 180.75,927 2,928 26.027,929 10.282,930 4.971,931 1.788,932 119.932,933 20.978,938 0.45,941 647.97,942 54.5,945 -7.428,946 66.554,950 -0.23,952 68.465,953 76.195,954 0.274,955 0.528,956 0.688,957 0.823,958 0.882,959 0.892,960 5.3,961 1.682,962 6.256,963 5.69,964 4.812,965 5.342,966 2.183,967 7.186,968 4.73,969 6.55,970 1.618,971 7.909,972 4.598,973 4.691,974 5.539,975 1.668,976 8.589,977 4.5,978 7.929,979 1.526,980 9.687,981 4.299,982 6.583,983 7.708,984 3.088,985 11.691,986 6.375,987 9.356,988 1.339,989 11.544,990 3.981,991 7.307,992 8.746,993 3.205,994 13.91,995 6.973,996 10.826,997 1.132,998 13.45,999 2.976,1000 8.74,1001 10.489,1002 4.288,1003 16.651,1004 8.373,1005 12.325,1006 1,1007 15.389,1008 2.706,1009 9.789,1010 11.843,1011 4.676,1012 19.134,1013 9.304,1014 13.846,1015 1,1016 17.352,1017 2.478,1018 11.084,1019 13.458,1020 5.579,1021 21.786,1022 10.543,1023 3.569,1024 0.946,1025 19.332,1026 2.275,1027 12.256,1028 14.93,1029 6.104,1030 24.36,1031 11.61,1032 3.511,1033 13.987,1034 21.324,1035 2.136,1036 13.514,1037 16.503,1038 6.909,1039 26.99,1040 12.796,1041 3.021,1042 13.61,1043 23.327,1044 4.791,1045 14.734,1046 18.022,1047 7.507,1048 29.595,1049 13.919,1050 2.845,1051 10.237,1052 25.337,1053 4.756,1054 15.984,1055 19.582,1056 8.258,1057 32.221,1058 15.089,1059 2.523,1060 9.145,1061 27.353,1062 4.25,1063 17.225,1064 21.121,1065 8.895,1066 34.839,1067 16.238,1068 2.21,1069 8.186,1070 29.373,1071 3.32,1072 18.477,1073 22.677,1074 9.617,1075 37.464,1076 17.405,1077 1.907,1078 6.609,1079 31.398,1080 3.092,1081 19.727,1082 24.226,1083 10.276,1084 40.088,1085 18.566,1086 20653,1087 34368,1088 26.929,1089 46.245,1090 63.199,1091 65.691,1092 64.778,1093 63.484,1094 63.319,1095 82.109,1096 6.77,1097 194.777,1098 61.063,1099 5.959,1100 6.734,1101 7.538,1102 5.573,1103 5.569,1104 7.791,1105 3.458,1106 22.436,1107 5.302,1108 19.46,1109 1.541,1110 1.602,1111 1.58,1112 1.548,1113 1.544,1114 2.003,1115 0.165,1116 4.751,1117 1.489,1118 4.174,1119 4.172,1120 4.754,1121 4.15,1122 7.719,1123 4.098,1124 4.089,1125 4.077,1126 4.735,1127 4.07,1128 7.712,1129 3.983,1130 3.942,1131 3.967,1132 3.968,1133 3.861,1134 7.426,1135 3.818,1136 3.815,1137 3.859,1138 3.769,1139 3.698,1140 6.999,1141 3.685,1142 3.66,1143 3.657,1144 3.681,1145 3.569,1146 6.999,1147 3.526,1148 3.559,1149 3.574,1150 3.557,1151 3.463,1152 4.885,1153 3.401,1154 3.338,1155 3.376,1156 3.254,1157 3.194,1158 4.716,1159 3.157,1160 3.28,1161 3.297,1162 3.222,1163 3.117,1164 4.329,1165 3.114,1166 0.121,1167 0.115,1168 0.189,1169 0.11,1170 0.087,1171 4.959,1172 0.117,1173 4.734,1174 0.048,1175 7.736,1176 0.341,1177 4.499,1178 0.081,1179 3.569,1180 4.791,1181 1.985,1182 13.987,1183 3.302,1184 2.092,1185 2.086,1186 2.148,1187 2.139,1188 1.429,1189 2.162,1190 1.976,1191 1.98,1192 2.039,1193 2.081,1194 1.324,1195 2.111,1196 1.821,1197 1.777,1198 1.985,1199 1.965,1200 1.218,1201 1.981,1202 1.716,1203 1.727,1204 1.856,1205 1.851,1206 1.142,1207 1.88,1208 1.608,1209 1.56,1210 1.71,1211 1.778,1212 1.067,1213 1.809,1214 1.456,1215 1.434,1216 1.632,1217 1.645,1218 0.825,1219 1.673,1220 1.368,1221 1.348,1222 1.551,1223 1.525,1224 0.788,1225 1.554,1226 1.221,1227 1.183,1228 1.513,1229 1.43,1230 0.726,1231 1.479,1232 4.419,1233 5.79,1234 2.398,1235 7.367,1236 4.595,1237 9.029,1238 6.629,1239 10.734,1241 1.702,1247 2.999,1251 -0.909,1252 4.43,1257 43.388,1258 113.621,1259 218.443,1260 284.789,1261 340.563,1262 365.193,1263 369.193,1264 109.354,1265 8.397,1266 95.07,1267 111.83,1268 29,1269 13.063,1270 4.524,1271 3.858,1272 56.947,1273 183,1274 186,1275 0.149,1276 269.076,1277 471.37,1278 648.306,1279 62684,1281 26.209,1282 0.708,1283 0.604,1284 26.709,1285 22.365,1286 17.692,1287 0.432,1288 0.376,1289 12.619,1290 15.57,1291 12.107,1292 9.954,1293 19.269,1294 15.4,1295 16.823,1296 0.276,1297 0.221,1298 19.443,1299 13.509,1300 14.847,1301 0.177,1302 0.135,1303 17.502,1304 11.333,1305 11.782,1306 0.112,1307 0.081,1308 14.115,1309 8.542,1310 9.106,1311 0.071,1312 0.048,1313 11.213,1314 6.189,1315 0.238,1316 126.19,1317 0.193,1318 33.818,1319 0.401,1320 204,1321 597.334,1322 302.181,1323 613.704,1324 828.54,1325 562,1326 247,1327 549.873,1328 363.425,1329 629.727,1330 927.87,1331 591,1332 5}
{0 CHEMBL246133,1 1.536,2 15.297,3 3.618,4 13.087,5 149.437,6 7.134,7 0.415,8 4.371,9 4.492,10 4.022,11 3.945,12 5.338,13 3.885,14 4.97,15 5.152,16 4.359,17 4.38,18 6.03,19 4.296,20 5.288,21 5.503,22 4.48,23 4.586,24 6.244,25 4.461,26 5.427,27 5.651,28 4.462,29 4.58,30 6.471,31 4.458,32 5.432,33 5.68,34 4.374,35 4.532,36 6.541,37 4.395,38 5.345,39 5.596,40 4.337,41 4.518,42 6.249,43 4.366,44 5.358,45 5.603,46 4.277,47 4.506,48 6.361,49 4.355,50 5.323,51 5.578,52 4.106,53 4.419,54 6.254,55 4.261,56 0.106,57 1.096,58 19.563,59 7.317,60 18.066,61 9.674,62 0.461,63 1.841,64 33.576,65 12.375,66 55.645,67 16.909,68 0.408,69 2.388,70 51.631,71 18.294,72 56.101,73 23.929,74 0.652,75 2.517,76 60.66,77 19.676,78 107.676,79 25.656,80 0.984,81 2.44,82 58.347,83 18.977,84 171.969,85 25.625,86 0.507,87 2.351,88 55.979,89 18.933,90 78.863,91 25.369,92 0.692,93 2.332,94 57.169,95 19.26,96 112.936,97 25.229,98 0.575,99 2.179,100 53.012,101 17.808,102 99.862,103 24.186,104 26,105 59,106 0.237,107 0.529,108 0.718,109 0.841,110 0.858,111 0.858,112 3.642,113 1.069,114 -4.08,115 -4.03,116 -3.82,119 39.7,121 5,124 1,125 4,127 2,138 11,139 3,140 2,151 1,156 1,157 1,158 1,163 15,165 4,166 7,171 2,172 18,174 2,175 2,176 9,181 3,183 12,185 3,186 1,187 16,192 3,194 7,196 3,197 4,198 10,205 9,208 1,209 9,217 10,220 1,221 13,223 3,224 3,227 8,231 8,238 8,241 2,242 6,247 2,249 7,251 2,252 2816,253 24.893,254 24.893,255 24.893,256 24.893,257 24.893,258 22.485,259 28.426,260 14.456,261 25.308,262 20.176,263 20.176,264 20.176,265 20.176,266 20.176,267 16.474,268 35.679,269 6.806,270 20.848,271 4.654,272 2.769,273 1.545,274 0.75,275 0.64,276 0.64,277 4.343,283 1,284 1244,285 4.301,287 113.826,288 482.876,292 179.275,295 2.538,296 45.665,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 79,308 566,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.304,318 4.468,319 3.86,320 6.607,321 4.027,322 3.05,323 4.374,324 0.8,325 10.275,326 2.995,327 4.158,328 3.032,329 6.457,330 3.935,331 2.963,332 3.445,333 0.624,334 9.936,335 2.85,336 3.904,337 2.955,338 6.008,339 3.596,340 2.634,341 3.323,342 0.375,343 8.262,344 2.55,345 3.661,346 2.786,347 5.44,348 3.495,349 2.511,350 2.91,352 7.163,353 2.453,354 3.49,355 2.647,356 5.331,357 3.241,358 2.308,359 2.659,361 6.699,362 2.146,363 3.334,364 2.46,365 5.205,366 3.006,367 2.021,368 2.5,370 6.07,371 1.985,372 3.161,373 2.059,374 4.992,375 2.762,376 1.776,377 2.338,379 5.257,380 1.741,381 2.961,382 1.661,383 4.553,384 2.611,385 1.613,386 2.107,388 4.225,389 1.608,390 2.9,391 1.595,392 4.108,393 2.489,394 1.492,395 2.052,397 3.632,398 1.486,399 2.824,400 1.479,401 3.943,402 2.387,403 1.393,404 1.836,406 3.153,407 1.383,408 2.5,409 1.321,410 3.638,411 2.011,412 1.047,413 1.5,415 2.654,416 1.006,417 2.368,418 1.205,419 3.481,420 2,421 1,422 1.307,424 2.275,425 1,426 2.069,427 1.077,428 3.414,429 1.984,430 1,431 1.06,433 2.152,434 0.983,435 2,436 1.015,437 3.352,438 1.913,439 0.926,440 1,442 2.136,443 0.912,444 17.933,445 0.485,446 1.003,447 0.027,448 44.5,449 1.203,450 21,451 0.568,452 23.5,453 0.635,454 38.209,455 1.033,456 40.867,457 0.56,458 37.446,459 1.012,460 8.249,461 0.223,462 9.593,463 0.259,464 0.106,465 0.046,466 0.29,472 0.584,473 1.391,474 0.871,475 1.225,476 0.639,477 1.028,478 0.718,479 1.082,480 0.884,481 0.934,482 0.515,483 0.963,484 0.918,485 1.11,486 1.157,487 1.159,488 0.762,489 1.052,490 1.508,491 1.125,492 1.182,493 1.148,494 1.636,495 1.063,496 1.376,497 0.904,498 0.978,499 0.854,500 1.444,501 0.923,502 0.986,503 1.03,504 1.078,505 1.072,506 0.908,507 0.983,508 1.193,509 0.955,510 1.202,511 1.087,512 1.192,513 1.018,514 1.321,515 1.033,516 1.088,517 1.036,518 1.423,519 1.04,520 7.5,521 0.255,522 5.556,523 2.868,524 2.645,525 1.577,526 0.884,527 0.688,528 0.457,529 0.348,530 23318,531 53179,532 2.093,533 49.3,535 24,538 2,540 6,541 4,542 1.778,543 1.956,544 3.863,545 0.135,550 112.104,551 1.536,552 3.421,553 4.645,554 5.44,555 5.549,556 5.549,557 3.398,558 4.885,559 5.174,560 4.057,561 2701.79,562 9.093,563 44764.9,568 451.857,569 1.531,570 5.134,571 0.183,572 0.007,573 0.094,574 0.046,575 0.045,576 0.029,577 0.017,578 0.013,579 0.011,580 0.009,581 0.454,582 0.33,583 0.75,584 0.531,585 205.727,586 0.09,587 -0.147,588 0.191,589 -0.05,590 -0.095,591 0.028,592 0.19,593 0.076,594 0.068,595 0.073,596 0.174,597 0.025,598 0.003,599 -0.022,600 -0.03,601 -0.064,602 0.045,603 -0.046,604 -0.117,605 -0.126,606 -0.08,607 -0.121,608 -0.132,609 -0.095,610 0.031,611 0.05,612 0.015,613 0.08,614 0.05,615 0.022,616 -0.001,617 -0.038,618 0.019,619 -0.025,620 0.025,621 0.013,622 -0.017,623 0.029,624 -0.094,625 -0.047,626 0.021,627 -0.035,628 -0.135,629 -0.103,630 -0.101,631 -0.07,632 -0.14,633 -0.065,634 4.724,635 6.626,636 0.73,637 50.621,638 0.995,639 1.126,640 2.855,641 8.149,642 0.66,643 3.738,644 4.094,645 4.394,646 4.625,647 4.828,648 4.898,649 5.017,650 5.1,651 5.247,652 5.293,653 8.716,654 0.614,655 520.76,656 3.738,657 5.303,658 6.172,659 7.062,660 7.946,661 8.842,662 9.733,663 10.633,664 11.53,665 12.434,666 5.5,669 2,670 1,673 1,680 2,681 11,686 3,688 17,696 1,703 73,705 20,706 3,707 41,709 77,710 29,711 16,712 5,713 11,717 5,718 6,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 36,748 7,749 2,750 8,751 1,755 4,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,805 37,806 1,808 1,810 9,814 2,815 3,825 4.1,828 3,832 18.917,833 12.933,834 8,835 4.567,836 2.993,837 1.354,838 0.997,839 7.755,840 11.438,841 3.98,842 4.575,843 5.104,844 5.599,845 6.124,846 6.375,847 6.775,848 7.022,849 7.393,850 7.331,851 1,852 63,853 14.155,854 6.481,855 7.718,856 27.013,857 23.439,859 2.218,860 82.083,864 400.217,865 156.882,866 40.664,868 69.458,870 5.807,871 151.074,872 469.675,873 40.664,874 8.396,875 24.22,876 142.943,877 74.163,878 17.282,880 400.217,882 400.217,883 191.739,884 69.458,885 5.807,887 282.506,888 187.169,891 28.863,892 162.876,893 5.807,895 400.217,896 110.122,897 156.882,899 5.807,900 400.217,901 38.439,902 120.402,904 102.355,905 400.217,906 110.122,907 156.882,909 0.592,910 0.357,911 0.184,912 0.095,913 29,914 13,915 0.091,916 7,917 1,918 1.074,919 4.724,920 362.913,921 0.074,922 27,923 182.75,927 1,928 26.027,929 11.024,930 5.498,931 1.602,932 110.122,933 20.999,938 2.164,940 32.897,941 667.221,942 52.5,945 -3.807,946 40.824,950 -0.089,952 72.603,953 82.185,954 0.248,955 0.553,956 0.75,957 0.879,958 0.897,959 0.897,960 5.248,961 1.776,962 6.188,963 6.07,964 4.779,965 5.263,966 2.253,967 7.062,968 4.712,969 6.462,970 1.613,971 7.798,972 5.257,973 4.511,974 5.278,975 1.738,976 8.277,977 4.358,978 7.801,979 1.492,980 9.525,981 4.225,982 6.466,983 7.524,984 3.107,985 11.387,986 6.305,987 9.185,988 1.393,989 11.328,990 3.632,991 7.057,992 8.416,993 3.217,994 13.487,995 6.794,996 10.611,997 1.047,998 13.182,999 3.153,1000 8.509,1001 10.198,1002 4.292,1003 16.217,1004 8.226,1005 12.068,1006 1,1007 15.073,1008 2.654,1009 9.468,1010 11.462,1011 4.678,1012 18.646,1013 9.083,1014 13.549,1015 1,1016 16.993,1017 2.275,1018 10.756,1019 13.09,1020 5.58,1021 21.29,1022 10.329,1023 3.57,1024 0.926,1025 18.935,1026 2.152,1027 11.874,1028 14.514,1029 6.104,1030 23.844,1031 11.352,1032 3.05,1033 13.988,1034 20.895,1035 2.136,1036 13.117,1037 16.088,1038 6.909,1039 26.473,1040 12.534,1041 2.963,1042 10.275,1043 22.869,1044 4.797,1045 14.305,1046 17.581,1047 7.507,1048 29.074,1049 13.631,1050 2.634,1051 9.936,1052 24.856,1053 4.374,1054 15.541,1055 19.136,1056 8.258,1057 31.704,1058 14.794,1059 2.511,1060 8.262,1061 26.852,1062 3.445,1063 16.764,1064 20.661,1065 8.895,1066 34.326,1067 15.928,1068 2.308,1069 7.163,1070 28.857,1071 3.323,1072 18.005,1073 22.212,1074 9.617,1075 36.958,1076 17.089,1077 2.021,1078 6.699,1079 30.868,1080 2.91,1081 19.245,1082 23.752,1083 10.276,1084 39.588,1085 18.242,1086 21677,1087 33001,1088 27.334,1089 48.216,1090 62.195,1091 63.965,1092 63.84,1093 62.34,1094 62.199,1095 78.425,1096 7.57,1097 184.534,1098 60.325,1099 5.96,1100 6.734,1101 7.538,1102 5.575,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.304,1108 17.898,1109 1.517,1110 1.56,1111 1.557,1112 1.52,1113 1.517,1114 1.913,1115 0.185,1116 4.501,1117 1.471,1118 4.172,1119 4.172,1120 4.747,1121 4.148,1122 7.715,1123 4.099,1124 3.966,1125 4.011,1126 3.985,1127 3.874,1128 7.427,1129 3.865,1130 3.93,1131 3.957,1132 3.868,1133 3.861,1134 6.999,1135 3.82,1136 3.84,1137 3.884,1138 3.776,1139 3.712,1140 5.131,1141 3.7,1142 3.655,1143 3.662,1144 3.62,1145 3.554,1146 4.754,1147 3.522,1148 3.475,1149 3.55,1150 3.344,1151 3.279,1152 4.678,1153 3.281,1154 3.294,1155 3.359,1156 3.259,1157 3.193,1158 4.367,1159 3.152,1160 3.278,1161 3.299,1162 3.119,1163 3.1,1164 4.241,1165 3.098,1166 0.121,1167 0.115,1168 0.189,1169 0.11,1170 0.087,1171 4.96,1172 0.117,1173 4.734,1174 0.048,1175 7.737,1176 0.341,1177 4.499,1178 0.081,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.304,1184 2.093,1185 2.087,1186 2.139,1187 2.144,1188 1.43,1189 2.163,1190 1.93,1191 1.895,1192 2.083,1193 2.065,1194 1.327,1195 2.073,1196 1.84,1197 1.789,1198 2.017,1199 1.981,1200 1.225,1201 1.996,1202 1.719,1203 1.732,1204 1.858,1205 1.863,1206 1.204,1207 1.887,1208 1.609,1209 1.555,1210 1.731,1211 1.783,1212 1.068,1213 1.812,1214 1.459,1215 1.394,1216 1.662,1217 1.663,1218 0.898,1219 1.685,1220 1.38,1221 1.32,1222 1.615,1223 1.555,1224 0.825,1225 1.579,1226 1.24,1227 1.183,1228 1.545,1229 1.47,1230 0.761,1231 1.507,1232 4.419,1233 5.765,1234 2.398,1235 7.313,1236 4.595,1237 8.947,1238 6.629,1239 10.628,1241 1.842,1245 6.042,1247 7.34,1251 -0.517,1252 5.684,1257 44.846,1258 112.104,1259 249.708,1260 339.049,1261 397.102,1262 405.102,1263 405.102,1264 91.002,1265 8.445,1266 86.95,1267 95.33,1268 29,1269 12.955,1270 4.392,1271 3.644,1272 57.035,1273 190,1274 222,1275 0.142,1276 275.932,1277 480.88,1278 665.033,1279 69055,1281 25.993,1282 0.703,1283 0.601,1284 26.243,1285 22.238,1286 17.841,1287 0.435,1288 0.356,1289 13.162,1290 16.566,1291 12.738,1292 10.495,1293 18.63,1294 14.615,1295 16.445,1296 0.279,1297 0.206,1298 17.745,1299 12.152,1300 14.431,1301 0.18,1302 0.124,1303 15.746,1304 9.897,1305 11.574,1306 0.115,1307 0.073,1308 12.811,1309 7.421,1310 9.016,1311 0.073,1312 0.043,1313 10.22,1314 5.312,1315 0.228,1316 118.551,1317 0.191,1318 34.168,1319 0.375,1320 200,1321 508.315,1322 254.68,1323 516.398,1324 705.83,1325 478,1326 239,1327 491.797,1328 304.414,1329 538.003,1330 790.14,1331 506,1332 5}
{0 CHEMBL246134,1 1.555,2 16.575,3 3.485,4 12.142,5 157.819,6 7.215,7 0.386,8 4.435,9 4.553,10 4.085,11 4.001,12 5.417,13 3.946,14 5.035,15 5.217,16 4.425,17 4.426,18 6.124,19 4.348,20 5.345,21 5.557,22 4.535,23 4.631,24 6.328,25 4.515,26 5.472,27 5.691,28 4.548,29 4.645,30 6.522,31 4.534,32 5.496,33 5.731,34 4.499,35 4.63,36 6.636,37 4.509,38 5.448,39 5.689,40 4.452,41 4.628,42 6.415,43 4.485,44 5.46,45 5.707,46 4.359,47 4.595,48 6.432,49 4.438,50 5.387,51 5.643,52 4.259,53 4.486,54 6.308,55 4.33,56 0.085,57 1.16,58 20.254,59 7.803,60 16.651,61 10.208,62 0.504,63 1.946,64 35.47,65 13.031,66 61.884,67 17.747,68 0.494,69 2.504,70 54.372,71 18.866,72 71.614,73 24.519,74 0.654,75 2.641,76 62.684,77 20.613,78 112.537,79 26.83,80 1.004,81 2.623,82 61.262,83 20.318,84 180.687,85 27.22,86 0.545,87 2.594,88 60.955,89 20.923,90 95.748,91 27.908,92 0.765,93 2.552,94 62.649,95 21.253,96 116.906,97 27.912,98 0.594,99 2.328,100 58.239,101 19.32,102 107.237,103 26.014,104 39,105 63,106 0.237,107 0.523,108 0.728,109 0.845,110 0.861,111 0.861,112 3.717,113 1.059,114 -4.05,115 -4,116 -3.79,119 39.7,120 1,121 5,124 1,125 4,127 2,138 11,139 3,140 2,151 2,163 15,165 4,166 8,169 1,171 3,172 18,175 2,176 9,181 3,183 12,186 1,187 18,192 3,194 9,197 4,198 13,205 12,208 1,209 12,217 13,220 1,221 13,224 3,227 8,231 8,238 8,241 5,242 9,247 2,249 7,252 3558,253 26.755,254 26.755,255 26.755,256 26.755,257 26.755,258 24.192,259 32.103,260 15.635,261 27.172,262 21.686,263 21.686,264 21.686,265 21.686,266 21.686,267 17.702,268 42.938,269 7.388,270 22.355,271 4.731,272 2.85,273 1.507,274 0.737,275 0.635,276 0.635,277 4.417,283 1,284 1441,285 4.743,287 123.439,288 524.893,292 195.221,295 2.804,296 51.948,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 86,308 663,309 4.96,310 4.734,311 7.737,312 4.5,313 3.57,314 4.798,315 1.985,316 13.988,317 3.304,318 4.487,319 3.86,320 6.61,321 4.047,322 3.065,323 4.385,324 1.907,325 10.356,326 3.016,327 4.159,328 3.541,329 6.511,330 3.948,331 2.984,332 3.445,333 0.8,334 10.126,335 2.855,336 3.904,337 3.023,338 6.012,339 3.598,340 2.637,341 3.324,342 0.624,343 8.278,344 2.55,345 3.697,346 2.955,347 5.449,348 3.498,349 2.514,350 3.022,351 0.375,352 7.168,353 2.458,354 3.622,355 2.787,356 5.368,357 3.305,358 2.335,359 2.683,360 0.149,361 6.761,362 2.278,363 3.393,364 2.647,365 5.253,366 3.213,367 2.255,368 2.566,370 6.594,371 2.127,372 3.291,373 2.461,374 5.132,375 2.891,376 1.882,377 2.477,379 5.501,380 1.889,381 3.158,382 2.109,383 4.594,384 2.746,385 1.751,386 2.336,388 4.684,389 1.731,390 2.959,391 1.663,392 4.503,393 2.611,394 1.613,395 2.103,397 4.22,398 1.608,399 2.899,400 1.595,401 4.095,402 2.489,403 1.492,404 2.05,406 3.616,407 1.486,408 2.824,409 1.487,410 3.943,411 2.385,412 1.389,413 1.836,415 3.153,416 1.381,417 2.5,418 1.321,419 3.638,420 2.011,421 1.047,422 1.5,424 2.654,425 1.006,426 2.376,427 1.206,428 3.481,429 2,430 1,431 1.311,433 2.275,434 1,435 2.069,436 1.077,437 3.414,438 1.984,439 1,440 1.06,442 2.179,443 0.983,444 19.267,445 0.482,446 1.109,447 0.028,448 48,449 1.2,450 22.5,451 0.563,452 25.5,453 0.638,454 42.471,455 1.062,456 44.333,457 0.568,458 42.155,459 1.054,460 8.993,461 0.225,462 10.242,463 0.256,464 0.121,465 0.043,466 0.296,472 0.552,473 1.446,474 0.852,475 1.254,476 0.564,477 1.048,478 0.662,479 1.1,480 0.865,481 0.941,482 0.495,483 0.96,484 1.007,485 1.07,486 1.179,487 1.117,488 0.854,489 1.031,490 1.33,491 1.11,492 1.144,493 1.131,494 1.399,495 1.038,496 1.263,497 0.926,498 0.974,499 0.879,500 1.296,501 0.938,502 0.954,503 1.065,504 1.084,505 1.106,506 0.901,507 1.028,508 1.094,509 0.955,510 1.167,511 1.07,512 1.142,513 1.034,514 1.086,515 1.049,516 1.046,517 1.063,518 1.177,519 1.008,520 8.5,521 0.318,522 5.556,523 2.993,524 2.845,525 1.834,526 1.045,527 0.806,528 0.556,529 0.368,530 28479,531 68753,532 2.071,533 48.7,535 24,538 1,539 3,540 6,541 4,542 1.797,543 1.928,544 3.971,545 -0.392,550 121.26,551 1.555,552 3.435,553 4.778,554 5.548,555 5.651,556 5.651,557 3.509,558 4.953,559 5.285,560 4.164,561 3248.29,562 9.318,563 57390.9,568 490.261,569 1.553,570 5.243,571 0.193,572 0.008,573 0.088,574 0.045,575 0.043,576 0.029,577 0.017,578 0.015,579 0.012,580 0.008,581 0.458,582 0.33,583 0.75,584 0.81,585 228.196,586 0.081,587 -0.201,588 0.184,589 -0.076,590 -0.066,591 0.009,592 0.198,593 0.061,594 0.081,595 0.065,596 0.169,597 0.025,598 -0.056,599 0.025,600 -0.056,601 -0.03,602 -0.005,603 -0.034,604 -0.101,605 -0.099,606 -0.054,607 -0.095,608 -0.106,609 -0.061,610 0.01,611 0.046,612 0.01,613 0.067,614 0.043,615 0.018,616 -0.018,617 -0.066,618 -0.011,619 -0.06,620 0.019,621 -0.027,622 -0.032,623 0.021,624 -0.08,625 -0.036,626 -0.052,627 -0.044,628 -0.057,629 -0.109,630 -0.001,631 -0.054,632 -0.094,633 -0.016,634 4.793,635 6.765,636 0.675,637 60.54,638 0.998,639 1.126,640 2.824,641 7.976,642 0.659,643 3.807,644 4.159,645 4.443,646 4.691,647 4.905,648 4.984,649 5.112,650 5.236,651 5.384,652 5.425,653 9.325,654 0.617,655 562.8,656 3.807,657 5.371,658 6.232,659 7.124,660 8.005,661 8.902,662 9.792,663 10.693,664 11.589,665 12.494,666 5.1,669 2,673 2,680 2,681 11,686 3,688 17,703 78,705 21,706 3,707 44,709 82,710 31,711 16,712 5,713 11,717 5,718 6,721 1,724 6,727 7,729 18,730 13,733 4,736 1,737 4,741 2,747 38,748 8,749 1,750 9,751 1,755 4,760 0.8,761 4,773 1,775 1,776 4,780 1,783 1,784 1,792 1,796 4,799 1,801 2,805 40,808 1,810 9,811 1,814 2,815 3,825 5.1,828 4,832 20.75,833 14.267,834 8.667,835 4.9,836 3.133,837 1.361,838 0.984,839 8.794,840 11.813,841 4.052,842 4.635,843 5.14,844 5.656,845 6.195,846 6.474,847 6.892,848 7.216,849 7.599,850 7.57,851 1,852 67,853 15.3,854 6.964,855 7.781,856 29.005,857 24.872,859 2.281,860 91.25,864 435.531,865 170.412,866 25.778,868 94.603,870 5.807,871 164.604,872 530.134,873 25.778,874 17.222,875 42.231,876 110.046,877 104.012,878 17.282,880 435.531,882 435.531,883 190.382,884 94.603,885 5.807,887 317.82,888 212.314,891 55.699,892 134.683,893 5.807,895 435.531,896 120.381,897 170.412,899 5.807,900 435.531,901 43.144,902 129.227,903 18.011,904 94.603,905 435.531,906 120.381,907 170.412,909 0.589,910 0.345,911 0.183,912 0.098,913 30,914 14,915 0.098,916 8,917 1,918 1.074,919 4.932,920 401.159,921 0.074,922 27,923 202.877,927 1,928 28.601,929 12.299,930 6.379,931 1.478,932 120.381,933 20.795,938 2.129,940 18.011,941 726.323,942 56.5,945 -3.877,946 52.755,950 -0.304,952 77.814,953 87.809,954 0.247,955 0.547,956 0.76,957 0.883,958 0.899,959 0.899,960 5.319,961 1.882,962 6.248,963 6.594,964 4.844,965 5.323,966 2.745,967 7.116,968 4.781,969 6.531,970 1.751,971 7.851,972 5.501,973 4.575,974 5.338,975 2.262,976 8.313,977 4.438,978 7.867,979 1.613,980 9.572,981 4.684,982 6.521,983 7.564,984 3.679,985 11.423,986 6.365,987 9.245,988 1.492,989 11.368,990 4.22,991 7.099,992 8.447,993 3.8,994 13.512,995 6.849,996 10.665,997 1.389,998 13.216,999 3.616,1000 8.55,1001 10.221,1002 4.858,1003 16.241,1004 8.273,1005 12.115,1006 1.047,1007 15.102,1008 3.153,1009 9.499,1010 11.48,1011 5.241,1012 18.664,1013 9.124,1014 13.59,1015 1,1016 17.017,1017 2.654,1018 10.786,1019 13.104,1020 6.12,1021 21.306,1022 10.366,1023 3.57,1024 1,1025 18.956,1026 2.275,1027 11.899,1028 14.526,1029 6.634,1030 23.856,1031 11.385,1032 3.065,1033 13.988,1034 20.913,1035 2.179,1036 13.139,1037 16.098,1038 7.418,1039 26.483,1040 12.564,1041 2.984,1042 10.356,1043 22.885,1044 4.798,1045 14.325,1046 17.591,1047 8.004,1048 29.083,1049 13.66,1050 2.637,1051 10.126,1052 24.87,1053 4.385,1054 15.56,1055 19.146,1056 8.737,1057 31.71,1058 14.821,1059 2.514,1060 8.278,1061 26.865,1062 3.445,1063 16.78,1064 20.671,1065 9.362,1066 34.331,1067 15.954,1068 2.335,1069 7.168,1070 28.868,1071 3.324,1072 18.02,1073 22.221,1074 10.067,1075 36.962,1076 17.114,1077 2.255,1078 6.761,1079 30.878,1080 3.022,1081 19.259,1082 23.761,1083 10.713,1084 39.592,1085 18.266,1086 26758,1087 41878,1088 29.126,1089 51.432,1090 66.641,1091 68.969,1092 68.371,1093 66.62,1094 66.52,1095 83.8,1096 11.683,1097 196.206,1098 64.7,1099 5.96,1100 6.734,1101 7.538,1102 5.578,1103 5.57,1104 7.798,1105 3.458,1106 22.439,1107 5.304,1108 21.092,1109 1.515,1110 1.567,1111 1.554,1112 1.514,1113 1.512,1114 1.905,1115 0.266,1116 4.459,1117 1.47,1118 4.175,1119 4.175,1120 4.747,1121 4.15,1122 7.715,1123 4.102,1124 3.968,1125 4.012,1126 3.996,1127 3.874,1128 7.431,1129 3.866,1130 3.933,1131 3.959,1132 3.868,1133 3.863,1134 7.426,1135 3.822,1136 3.841,1137 3.885,1138 3.776,1139 3.713,1140 6.999,1141 3.701,1142 3.669,1143 3.687,1144 3.622,1145 3.557,1146 4.878,1147 3.53,1148 3.526,1149 3.57,1150 3.461,1151 3.305,1152 4.752,1153 3.32,1154 3.471,1155 3.533,1156 3.341,1157 3.277,1158 4.368,1159 3.279,1160 3.29,1161 3.358,1162 3.232,1163 3.188,1164 4.292,1165 3.15,1166 0.113,1167 0.108,1168 0.176,1169 0.102,1170 0.081,1171 4.96,1172 0.109,1173 4.734,1174 0.045,1175 7.737,1176 0.318,1177 4.5,1178 0.075,1179 3.57,1180 4.798,1181 1.985,1182 13.988,1183 3.304,1184 2.095,1185 2.089,1186 2.14,1187 2.147,1188 1.43,1189 2.164,1190 1.93,1191 1.895,1192 2.083,1193 2.065,1194 1.334,1195 2.074,1196 1.84,1197 1.79,1198 2.017,1199 1.981,1200 1.225,1201 1.996,1202 1.725,1203 1.736,1204 1.858,1205 1.87,1206 1.204,1207 1.893,1208 1.61,1209 1.556,1210 1.738,1211 1.789,1212 1.073,1213 1.813,1214 1.48,1215 1.423,1216 1.718,1217 1.72,1218 0.898,1219 1.72,1220 1.434,1221 1.375,1222 1.652,1223 1.649,1224 0.825,1225 1.672,1226 1.372,1227 1.314,1228 1.607,1229 1.54,1230 0.781,1231 1.568,1232 4.489,1233 5.832,1234 2.398,1235 7.371,1236 4.595,1237 8.999,1238 6.629,1239 10.675,1241 3.268,1247 7.155,1248 2.792,1251 -0.578,1252 5.637,1257 48.087,1258 121.26,1259 267.942,1260 372.698,1261 432.752,1262 440.752,1263 440.752,1264 105.795,1265 8.68,1266 90.03,1267 98.41,1268 29,1269 13.014,1270 4.459,1271 3.755,1272 64.198,1273 219,1274 258,1275 0.139,1276 296.185,1277 521.63,1278 714.452,1279 92563,1281 28.277,1282 0.707,1283 0.602,1284 28.527,1285 24.069,1286 19.235,1287 0.437,1288 0.353,1289 14.056,1290 17.849,1291 13.573,1292 11.202,1293 20.024,1294 15.53,1295 17.857,1296 0.283,1297 0.203,1298 19.158,1299 12.792,1300 14.996,1301 0.179,1302 0.121,1303 16.31,1304 10.174,1305 12.284,1306 0.114,1307 0.071,1308 13.521,1309 7.695,1310 9.749,1311 0.073,1312 0.041,1313 10.954,1314 5.534,1315 0.223,1316 127.611,1317 0.185,1318 36.432,1319 0.365,1320 214,1321 581.071,1322 271.921,1323 581.353,1324 787.25,1325 538,1326 254,1327 544.842,1328 321.576,1329 589.333,1330 862.76,1331 554,1332 5}
{0 CHEMBL246328,1 1.577,2 15.211,3 5.377,4 28.916,5 154.289,6 7.489,7 0.405,8 4.382,9 4.494,10 4.07,11 3.981,12 5.324,13 3.915,14 4.992,15 5.17,16 4.42,17 4.414,18 6.045,19 4.323,20 5.315,21 5.534,22 4.56,23 4.62,24 6.249,25 4.489,26 5.423,27 5.634,28 4.568,29 4.624,30 6.476,31 4.503,32 5.46,33 5.693,34 4.458,35 4.597,36 6.579,37 4.462,38 5.429,39 5.68,40 4.478,41 4.619,42 6.299,43 4.458,44 5.477,45 5.731,46 4.438,47 4.61,48 6.449,49 4.45,50 5.403,51 5.661,52 4.216,53 4.505,54 6.319,55 4.338,56 0.082,57 1.067,58 18.838,59 7.603,60 15.217,61 9.841,62 0.445,63 1.837,64 33.919,65 12.874,66 56.146,67 17.258,68 0.45,69 2.393,70 55.374,71 19.232,72 56.913,73 24.629,74 0.636,75 2.482,76 63.199,77 20.74,78 104.233,79 25.939,80 1.033,81 2.512,82 62.667,83 20.5,84 179.074,85 26.54,86 0.54,87 2.579,88 63.593,89 21.395,90 78.934,91 27.91,92 0.82,93 2.604,94 68.663,95 22.39,96 118.893,97 28.888,98 0.628,99 2.339,100 59.328,101 20.345,102 109.671,103 26.87,104 27,105 60,106 0.243,107 0.508,108 0.708,109 0.844,110 0.86,111 0.86,112 3.668,113 1.105,114 -5.23,115 -5.12,116 -4.79,119 40.5,120 1,121 5,125 5,127 2,138 11,139 3,140 2,151 1,163 15,165 4,166 8,172 20,175 2,176 9,183 15,186 1,187 17,194 12,197 4,198 11,205 10,208 1,209 10,217 11,220 1,221 18,227 8,231 8,238 11,241 2,242 6,249 12,252 3010,253 25.764,254 25.764,255 25.764,256 25.764,257 25.764,258 23.355,259 28.446,260 14.99,261 26.309,262 20.624,263 20.624,264 20.624,265 20.624,266 20.624,267 16.928,268 35.588,269 6.958,270 21.528,271 4.633,272 2.916,273 1.622,274 0.74,275 0.632,276 0.632,277 4.369,279 1,283 1,284 1267,285 4.416,287 117.791,288 499.236,292 184.998,295 2.548,296 46.797,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 80.833,308 578,309 4.96,310 4.734,311 7.737,312 4.5,313 3.57,314 4.797,315 1.985,316 13.99,317 3.304,318 4.468,319 3.87,320 6.663,321 4.03,322 3.068,323 4.374,324 0.8,325 10.551,326 2.949,327 4.181,328 3.205,329 6.461,330 3.936,331 2.974,332 3.446,333 0.624,334 9.976,335 2.845,336 3.904,337 2.97,338 6.052,339 3.595,340 2.634,341 3.341,342 0.375,343 8.408,344 2.549,345 3.668,346 2.806,347 5.443,348 3.497,349 2.515,350 2.913,352 7.181,353 2.452,354 3.491,355 2.651,356 5.331,357 3.256,358 2.325,359 2.665,361 6.72,362 2.152,363 3.349,364 2.49,365 5.211,366 2.959,367 2.022,368 2.501,370 6.072,371 1.859,372 3.162,373 2.319,374 4.992,375 2.756,376 1.781,377 2.353,379 5.272,380 1.706,381 2.962,382 1.666,383 4.588,384 2.617,385 1.62,386 2.107,388 4.305,389 1.614,390 2.902,391 1.612,392 4.11,393 2.489,394 1.493,395 2.055,397 3.642,398 1.486,399 2.825,400 1.503,401 4.024,402 2.385,403 1.399,404 1.837,406 3.159,407 1.369,408 2.5,409 1.496,410 3.638,411 2.177,412 1.203,413 1.5,415 2.915,416 1.167,417 2.368,418 1.209,419 3.527,420 2,421 1,422 1.309,424 2.275,425 1,426 2.266,427 1.093,428 3.414,429 1.984,430 1,431 1.24,433 2.157,434 0.983,435 2,436 1.077,437 3.352,438 1.882,439 0.926,440 1,442 2.136,443 0.853,444 18.748,445 0.493,446 0.965,447 0.025,448 44.5,449 1.171,450 20.5,451 0.539,452 24,453 0.632,454 42.246,455 1.112,456 41.852,457 0.566,458 36.629,459 0.964,460 8.082,461 0.213,462 10.297,463 0.271,464 0.118,465 0.044,466 0.277,472 0.506,473 1.417,474 0.752,475 1.191,476 0.567,477 1.019,478 0.691,479 1.113,480 0.788,481 0.91,482 0.512,483 0.957,484 0.933,485 1.023,486 1.03,487 1.041,488 0.76,489 0.96,490 1.48,491 1.122,492 1.106,493 1.122,494 1.643,495 1.039,496 1.434,497 0.949,498 0.97,499 0.881,500 1.576,501 0.955,502 0.893,503 1.047,504 0.835,505 0.99,506 0.867,507 0.973,508 1.004,509 0.964,510 0.989,511 1.057,512 1.04,513 0.975,514 1.221,515 0.991,516 0.888,517 0.946,518 1.424,519 0.977,520 7.5,521 0.268,522 5.556,523 2.993,524 2.645,525 1.604,526 1.061,527 0.688,528 0.457,529 0.358,530 24409,531 59374,532 2.091,533 48.6,535 23,540 9,541 4,542 1.786,543 1.957,544 3.848,545 -0.784,550 116.666,551 1.577,552 3.293,553 4.587,554 5.47,555 5.578,556 5.578,557 3.389,558 4.88,559 5.213,560 4.048,561 2845.61,562 9.179,563 47646.7,568 459.5,569 1.514,570 5.174,571 0.179,572 0.007,573 0.093,574 0.046,575 0.042,576 0.028,577 0.019,578 0.013,579 0.01,580 0.009,581 0.443,582 0.17,583 0.75,584 0.661,585 212.28,586 0.107,587 -0.199,588 0.15,589 -0.077,590 -0.07,591 0.008,592 0.178,593 0.044,594 0.056,595 0.055,596 0.173,597 0.005,598 -0.006,599 0.065,600 0.012,601 0.014,602 0.043,603 0.025,604 -0.114,605 -0.109,606 -0.062,607 -0.101,608 -0.115,609 -0.077,610 -0.018,611 0.027,612 -0.047,613 0.048,614 0.023,615 -0.018,616 0.001,617 -0.028,618 0.065,619 0.007,620 0.008,621 0.005,622 0.054,623 0.026,624 -0.002,625 -0.043,626 0.066,627 0.001,628 -0.11,629 -0.06,630 -0.026,631 -0.003,632 -0.133,633 -0.009,634 4.734,635 6.802,636 0.711,637 51.634,638 0.996,639 1.122,640 3.997,641 15.975,642 0.673,643 3.761,644 4.111,645 4.419,646 4.663,647 4.86,648 4.934,649 5.075,650 5.147,651 5.273,652 5.342,653 8.673,654 0.624,655 554.21,656 3.761,657 5.323,658 6.192,659 7.084,660 7.969,661 8.867,662 9.76,663 10.661,664 11.559,665 12.464,666 4.1,669 2,673 1,680 2,681 11,686 3,688 17,702 1,703 74,705 20,706 3,707 42,709 78,710 30,711 16,712 5,713 11,717 5,718 6,719 1,721 1,724 6,727 7,729 17,730 13,733 3,736 1,737 3,741 1,747 36,748 6,750 8,751 2,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,805 38,808 1,810 10,814 2,815 3,824 1,825 4.1,828 3,832 19.417,833 13.243,834 8.333,835 4.919,836 2.976,837 1.351,838 0.988,839 8.516,840 11.448,841 3.998,842 4.585,843 5.116,844 5.617,845 6.132,846 6.384,847 6.787,848 7.03,849 7.398,850 7.345,851 1,852 65,853 14.547,854 6.636,855 7.702,856 27.823,857 24.088,859 2.202,860 83.694,864 423.76,865 160.16,866 7.767,867 39.149,868 69.458,870 5.807,871 154.353,872 532.366,873 7.767,874 8.825,875 26.325,876 110.046,877 74.163,878 18.026,880 423.76,881 39.149,882 423.76,883 162.12,884 69.458,885 44.956,887 270.735,888 222.482,891 39.794,892 122.326,893 44.956,895 423.76,896 77.225,897 199.309,899 5.807,900 423.76,901 41.289,902 120.831,904 108.607,905 423.76,906 77.225,907 199.309,909 0.586,910 0.358,911 0.191,912 0.097,913 29,914 13,915 0.103,916 8,917 1,918 1.074,919 4.762,920 378.166,921 0.074,922 27,923 189.421,927 1,928 27.3,929 11.854,930 5.857,931 1.587,932 77.225,933 21.014,938 2.143,941 700.293,942 53.5,945 -3.818,946 41.227,950 -0.055,952 73.709,953 83.046,954 0.254,955 0.53,956 0.739,957 0.881,958 0.898,959 0.898,960 5.264,961 1.781,962 6.205,963 6.072,964 4.796,965 5.273,966 2.253,967 7.081,968 4.71,969 6.473,970 1.62,971 7.813,972 5.272,973 4.511,974 5.278,975 1.738,976 8.301,977 4.319,978 7.811,979 1.493,980 9.54,981 4.305,982 6.482,983 7.53,984 3.107,985 11.412,986 6.29,987 9.193,988 1.399,989 11.343,990 3.642,991 7.066,992 8.418,993 3.217,994 13.515,995 6.758,996 10.619,997 1.203,998 13.198,999 3.159,1000 8.524,1001 10.201,1002 4.292,1003 16.243,1004 8.202,1005 12.076,1006 1,1007 15.09,1008 2.915,1009 9.481,1010 11.464,1011 4.678,1012 18.671,1013 9.048,1014 13.557,1015 1,1016 17.01,1017 2.275,1018 10.771,1019 13.092,1020 5.58,1021 21.312,1022 10.299,1023 3.57,1024 0.926,1025 18.952,1026 2.157,1027 11.889,1028 14.515,1029 6.104,1030 23.863,1031 11.316,1032 3.068,1033 13.99,1034 20.912,1035 2.136,1036 13.131,1037 16.089,1038 6.909,1039 26.489,1040 12.498,1041 2.974,1042 10.551,1043 22.886,1044 4.797,1045 14.32,1046 17.582,1047 7.507,1048 29.088,1049 13.593,1050 2.634,1051 9.976,1052 24.872,1053 4.374,1054 15.556,1055 19.137,1056 8.258,1057 31.715,1058 14.756,1059 2.515,1060 8.408,1061 26.868,1062 3.446,1063 16.777,1064 20.662,1065 8.895,1066 34.335,1067 15.889,1068 2.325,1069 7.181,1070 28.871,1071 3.341,1072 18.018,1073 22.212,1074 9.617,1075 36.966,1076 17.05,1077 2.022,1078 6.72,1079 30.882,1080 2.913,1081 19.258,1082 23.752,1083 10.276,1084 39.596,1085 18.203,1086 22768,1087 35867,1088 28.027,1089 49.83,1090 63.206,1091 65.058,1092 65.522,1093 63.453,1094 63.193,1095 79.417,1096 7.57,1097 187.203,1098 60.592,1099 5.96,1100 6.734,1101 7.539,1102 5.577,1103 5.57,1104 7.797,1105 3.458,1106 22.443,1107 5.304,1108 18.298,1109 1.505,1110 1.549,1111 1.56,1112 1.511,1113 1.505,1114 1.891,1115 0.18,1116 4.457,1117 1.443,1118 4.171,1119 4.168,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.968,1125 4.013,1126 4.084,1127 3.877,1128 7.426,1129 3.867,1130 3.928,1131 3.954,1132 3.871,1133 3.863,1134 6.999,1135 3.822,1136 3.843,1137 3.885,1138 3.784,1139 3.719,1140 4.998,1141 3.706,1142 3.656,1143 3.668,1144 3.626,1145 3.556,1146 4.753,1147 3.524,1148 3.528,1149 3.596,1150 3.468,1151 3.339,1152 4.508,1153 3.337,1154 3.336,1155 3.415,1156 3.379,1157 3.195,1158 4.365,1159 3.171,1160 3.283,1161 3.297,1162 3.186,1163 3.19,1164 4.222,1165 3.148,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.5,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.99,1183 3.304,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.435,1189 2.154,1190 1.93,1191 1.896,1192 2.084,1193 2.067,1194 1.326,1195 2.075,1196 1.845,1197 1.795,1198 2.021,1199 1.984,1200 1.228,1201 1.999,1202 1.715,1203 1.731,1204 1.864,1205 1.86,1206 1.205,1207 1.88,1208 1.616,1209 1.562,1210 1.811,1211 1.788,1212 1.075,1213 1.82,1214 1.508,1215 1.434,1216 1.67,1217 1.707,1218 0.983,1219 1.745,1220 1.383,1221 1.329,1222 1.654,1223 1.557,1224 0.876,1225 1.597,1226 1.365,1227 1.291,1228 1.588,1229 1.543,1230 0.825,1231 1.564,1232 4.443,1233 5.784,1234 2.398,1235 7.33,1236 4.595,1237 8.966,1238 6.629,1239 10.648,1241 2.001,1242 6.282,1247 7.975,1251 -0.5,1252 5.839,1257 46.179,1258 116.666,1259 243.686,1260 339.472,1261 404.745,1262 412.745,1263 412.745,1264 95.334,1265 8.472,1266 60.93,1267 69.31,1268 29,1269 12.984,1270 4.392,1271 3.644,1272 59.283,1273 194,1274 230,1275 0.145,1276 287.063,1277 502.39,1278 692.193,1279 70503,1280 1.4,1281 26.7,1282 0.703,1283 0.618,1284 27.45,1285 23.502,1286 18.379,1287 0.438,1288 0.368,1289 13.682,1290 16.846,1291 13.23,1292 10.874,1293 19.457,1294 15.469,1295 16.658,1296 0.278,1297 0.21,1298 18.329,1299 12.627,1300 14.611,1301 0.178,1302 0.126,1303 16.283,1304 10.309,1305 12.109,1306 0.115,1307 0.075,1308 13.668,1309 7.896,1310 9.302,1311 0.073,1312 0.044,1313 10.693,1314 5.608,1315 0.232,1316 124.581,1317 0.189,1318 34.788,1319 0.386,1320 204,1321 529.206,1322 273.506,1323 563.501,1324 760.31,1325 522,1326 244,1327 507.167,1328 320.292,1329 560.173,1330 827.31,1331 529,1332 5.553}
{0 CHEMBL246334,1 1.595,2 15.297,3 5.029,4 25.287,5 149.541,6 7.608,7 0.415,8 4.345,9 4.455,10 4.05,11 3.948,12 5.3,13 3.884,14 4.952,15 5.128,16 4.402,17 4.384,18 6.021,19 4.297,20 5.271,21 5.481,22 4.537,23 4.592,24 6.232,25 4.461,26 5.396,27 5.612,28 4.519,29 4.577,30 6.452,31 4.452,32 5.392,33 5.632,34 4.395,35 4.515,36 6.518,37 4.379,38 5.31,39 5.553,40 4.395,41 4.511,42 6.231,43 4.359,44 5.35,45 5.593,46 4.362,47 4.503,48 6.361,49 4.357,50 5.288,51 5.542,52 4.153,53 4.419,54 6.191,55 4.255,56 0.075,57 1.027,58 17.82,59 7.254,60 15.238,61 9.292,62 0.441,63 1.77,64 32.151,65 12.262,66 54.879,67 16.285,68 0.399,69 2.299,70 52.531,71 18.662,72 56.602,73 23.593,74 0.652,75 2.406,76 62.187,77 20.202,78 109.011,79 25.042,80 0.994,81 2.346,82 59.535,83 19.212,84 171.482,85 24.777,86 0.494,87 2.297,88 57.556,89 19.171,90 78.038,91 24.532,92 0.771,93 2.294,94 58.723,95 19.399,96 115.695,97 24.944,98 0.492,99 2.131,100 52.785,101 18.413,102 89.21,103 24.305,104 26,105 59,106 0.248,107 0.518,108 0.713,109 0.84,110 0.858,111 0.858,112 3.642,113 1.09,114 -5.04,115 -4.94,116 -4.63,119 40.8,121 5,124 1,125 4,127 2,138 11,139 3,140 2,151 1,163 15,165 4,166 7,172 20,175 2,176 9,183 15,186 1,187 16,194 10,197 4,198 10,205 9,208 1,209 9,217 10,220 1,221 16,227 8,231 8,238 8,241 2,242 6,249 9,252 2816,253 24.893,254 24.893,255 24.893,256 24.893,257 24.893,258 22.485,259 26.865,260 14.456,261 25.403,262 20.176,263 20.176,264 20.176,265 20.176,266 20.176,267 16.474,268 33.82,269 6.806,270 21.047,271 4.554,272 2.819,273 1.561,274 0.743,275 0.63,276 0.63,277 4.343,279 1,283 1,284 1244,285 4.301,287 113.826,288 482.876,292 179.275,295 2.538,296 45.877,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 78.833,308 566,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.158,328 3.205,329 6.457,330 3.923,331 2.963,332 3.445,333 0.624,334 9.936,335 2.83,336 3.904,337 2.959,338 6.008,339 3.595,340 2.634,341 3.323,342 0.375,343 8.262,344 2.549,345 3.661,346 2.793,347 5.44,348 3.494,349 2.511,350 2.91,352 7.163,353 2.449,354 3.49,355 2.651,356 5.331,357 3.238,358 2.308,359 2.659,361 6.699,362 2.134,363 3.334,364 2.469,365 5.205,366 2.958,367 2.021,368 2.5,370 6.07,371 1.859,372 3.161,373 2.318,374 4.992,375 2.752,376 1.776,377 2.338,379 5.257,380 1.703,381 2.961,382 1.665,383 4.553,384 2.611,385 1.613,386 2.107,388 4.225,389 1.608,390 2.9,391 1.595,392 4.108,393 2.489,394 1.492,395 2.052,397 3.632,398 1.485,399 2.824,400 1.5,401 3.943,402 2.381,403 1.393,404 1.836,406 3.153,407 1.366,408 2.5,409 1.321,410 3.638,411 2.011,412 1.047,413 1.5,415 2.654,416 1.006,417 2.368,418 1.206,419 3.481,420 2,421 1,422 1.307,424 2.275,425 1,426 2.069,427 1.093,428 3.414,429 1.984,430 1,431 1.06,433 2.152,434 0.983,435 2,436 1.077,437 3.352,438 1.881,439 0.926,440 1,442 2.136,443 0.852,444 18.248,445 0.493,446 1.003,447 0.027,448 44,449 1.189,450 20.5,451 0.554,452 23.5,453 0.635,454 39.353,455 1.064,456 40.552,457 0.571,458 36.302,459 0.981,460 8.099,461 0.219,462 9.742,463 0.263,464 0.121,465 0.046,466 0.285,472 0.504,473 1.415,474 0.741,475 1.184,476 0.565,477 1.005,478 0.701,479 1.064,480 0.78,481 0.877,482 0.513,483 0.929,484 0.904,485 1.077,486 1.05,487 1.099,488 0.757,489 1.013,490 1.481,491 1.102,492 1.108,493 1.107,494 1.65,495 1.033,496 1.359,497 0.9,498 0.943,499 0.843,500 1.467,501 0.91,502 0.936,503 1.057,504 0.871,505 1.022,506 0.919,507 0.975,508 1.071,509 0.953,510 0.939,511 1.007,512 1.171,513 0.981,514 1.055,515 1.057,516 0.89,517 1.009,518 1.196,519 1.02,520 7.5,521 0.255,522 5.556,523 2.868,524 2.645,525 1.577,526 0.884,527 0.688,528 0.457,529 0.348,530 23318,531 57607,532 2.093,533 47.9,535 24,540 6,541 4,542 1.778,543 1.956,544 3.863,545 -0.778,550 113.267,551 1.595,552 3.331,553 4.589,554 5.407,555 5.519,556 5.519,557 3.398,558 4.885,559 5.174,560 4.057,561 2701.79,562 9.093,563 44764.9,568 436.632,569 1.531,570 5.134,571 0.183,572 0.007,573 0.094,574 0.046,575 0.045,576 0.029,577 0.017,578 0.013,579 0.011,580 0.009,581 0.454,582 0.17,583 0.75,584 0.531,585 205.727,586 0.105,587 -0.206,588 0.15,589 -0.081,590 -0.07,591 0.007,592 0.166,593 0.093,594 0.055,595 0.08,596 0.171,597 0.023,598 -0.003,599 0.005,600 -0.014,601 -0.036,602 0.047,603 -0.025,604 -0.126,605 -0.102,606 -0.064,607 -0.09,608 -0.136,609 -0.074,610 0.008,611 0.069,612 -0.01,613 0.086,614 0.047,615 0.03,616 -0.005,617 -0.035,618 0.05,619 -0.009,620 0.019,621 0.004,622 0.037,623 0.028,624 0.001,625 -0.028,626 0.022,627 -0.012,628 -0.07,629 -0.113,630 -0.026,631 -0.053,632 -0.096,633 -0.04,634 4.726,635 6.624,636 0.73,637 50.621,638 0.998,639 1.122,640 3.807,641 14.49,642 0.677,643 3.738,644 4.094,645 4.394,646 4.625,647 4.828,648 4.898,649 5.017,650 5.1,651 5.247,652 5.293,653 8.716,654 0.629,655 540.18,656 3.738,657 5.303,658 6.172,659 7.062,660 7.946,661 8.842,662 9.733,663 10.633,664 11.53,665 12.434,666 4.2,669 2,673 1,680 2,681 11,686 3,688 17,702 1,703 71,705 20,706 3,707 41,709 75,710 29,711 16,712 5,713 11,717 5,718 6,719 1,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 34,748 6,750 8,751 2,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,805 37,808 1,810 9,814 2,815 3,824 1,825 4.2,828 3,832 18.917,833 12.743,834 8,835 4.519,836 2.993,837 1.354,838 0.992,839 7.991,840 11.438,841 3.98,842 4.575,843 5.104,844 5.599,845 6.124,846 6.375,847 6.775,848 7.022,849 7.393,850 7.331,851 1,852 63,853 14.156,854 6.484,855 7.721,856 27.006,857 23.434,859 2.221,860 82.194,864 400.217,865 157.626,866 7.767,867 39.149,868 69.458,870 5.807,871 151.818,872 508.824,873 7.767,874 8.396,875 24.22,876 110.046,877 74.163,878 18.026,880 400.217,881 39.149,882 400.217,883 159.585,884 69.458,885 44.956,887 282.506,888 187.169,891 28.863,892 130.723,893 44.956,895 400.217,896 77.225,897 196.774,899 5.807,900 400.217,901 39.183,902 120.402,904 108.607,905 400.217,906 77.225,907 196.774,909 0.592,910 0.357,911 0.184,912 0.095,913 29,914 13,915 0.093,916 7,917 1,918 1.074,919 4.724,920 362.913,921 0.074,922 27,923 182.75,927 1,928 26.339,929 11.226,930 5.62,931 1.582,932 77.225,933 20.958,938 2.133,941 674.217,942 52.5,945 -3.809,946 40.819,950 -0.09,952 70.825,953 79.63,954 0.259,955 0.542,956 0.746,957 0.879,958 0.897,959 0.897,960 5.248,961 1.776,962 6.188,963 6.07,964 4.779,965 5.263,966 2.253,967 7.062,968 4.694,969 6.462,970 1.613,971 7.798,972 5.257,973 4.511,974 5.278,975 1.738,976 8.277,977 4.319,978 7.801,979 1.492,980 9.525,981 4.225,982 6.466,983 7.524,984 3.107,985 11.387,986 6.277,987 9.185,988 1.393,989 11.328,990 3.632,991 7.057,992 8.416,993 3.217,994 13.487,995 6.751,996 10.611,997 1.047,998 13.182,999 3.153,1000 8.509,1001 10.198,1002 4.292,1003 16.217,1004 8.189,1005 12.068,1006 1,1007 15.073,1008 2.654,1009 9.468,1010 11.462,1011 4.678,1012 18.646,1013 9.036,1014 13.549,1015 1,1016 16.993,1017 2.275,1018 10.756,1019 13.09,1020 5.58,1021 21.29,1022 10.285,1023 3.57,1024 0.926,1025 18.935,1026 2.152,1027 11.874,1028 14.514,1029 6.104,1030 23.844,1031 11.302,1032 3.05,1033 13.988,1034 20.895,1035 2.136,1036 13.117,1037 16.088,1038 6.909,1039 26.473,1040 12.484,1041 2.963,1042 10.275,1043 22.869,1044 4.797,1045 14.305,1046 17.581,1047 7.507,1048 29.074,1049 13.578,1050 2.634,1051 9.936,1052 24.856,1053 4.374,1054 15.541,1055 19.136,1056 8.258,1057 31.704,1058 14.741,1059 2.511,1060 8.262,1061 26.852,1062 3.445,1063 16.764,1064 20.661,1065 8.895,1066 34.326,1067 15.874,1068 2.308,1069 7.163,1070 28.857,1071 3.323,1072 18.005,1073 22.212,1074 9.617,1075 36.958,1076 17.035,1077 2.021,1078 6.699,1079 30.868,1080 2.91,1081 19.245,1082 23.752,1083 10.276,1084 39.588,1085 18.188,1086 21677,1087 34413,1088 27.334,1089 48.069,1090 62.195,1091 64.212,1092 63.84,1093 62.517,1094 62.199,1095 78.425,1096 7.57,1097 184.534,1098 59.627,1099 5.96,1100 6.734,1101 7.538,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 17.898,1109 1.517,1110 1.566,1111 1.557,1112 1.525,1113 1.517,1114 1.913,1115 0.185,1116 4.501,1117 1.454,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.965,1125 4.009,1126 4.084,1127 3.876,1128 7.427,1129 3.866,1130 3.928,1131 3.954,1132 3.868,1133 3.863,1134 6.999,1135 3.821,1136 3.839,1137 3.883,1138 3.777,1139 3.712,1140 4.998,1141 3.7,1142 3.651,1143 3.653,1144 3.626,1145 3.555,1146 4.753,1147 3.522,1148 3.475,1149 3.549,1150 3.466,1151 3.279,1152 4.508,1153 3.281,1154 3.291,1155 3.359,1156 3.338,1157 3.193,1158 4.367,1159 3.151,1160 3.276,1161 3.297,1162 3.186,1163 3.1,1164 4.221,1165 3.098,1166 0.121,1167 0.115,1168 0.189,1169 0.11,1170 0.087,1171 4.96,1172 0.117,1173 4.734,1174 0.048,1175 7.737,1176 0.341,1177 4.499,1178 0.081,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.93,1191 1.895,1192 2.083,1193 2.064,1194 1.326,1195 2.073,1196 1.839,1197 1.789,1198 2.017,1199 1.981,1200 1.225,1201 1.996,1202 1.715,1203 1.73,1204 1.858,1205 1.855,1206 1.204,1207 1.878,1208 1.609,1209 1.555,1210 1.73,1211 1.78,1212 1.068,1213 1.811,1214 1.457,1215 1.393,1216 1.656,1217 1.658,1218 0.898,1219 1.682,1220 1.378,1221 1.319,1222 1.608,1223 1.544,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.467,1230 0.759,1231 1.503,1232 4.419,1233 5.765,1234 2.398,1235 7.313,1236 4.595,1237 8.947,1238 6.629,1239 10.628,1241 1.841,1242 6.266,1247 7.333,1251 -0.519,1252 5.68,1257 44.652,1258 113.267,1259 236.483,1260 325.823,1261 383.877,1262 391.877,1263 391.877,1264 91.195,1265 8.445,1266 60.93,1267 69.31,1268 29,1269 12.955,1270 4.392,1271 3.644,1272 57.035,1273 190,1274 222,1275 0.142,1276 277.47,1277 485.09,1278 668.787,1279 69055,1280 1.4,1281 25.993,1282 0.703,1283 0.616,1284 26.743,1285 22.795,1286 17.841,1287 0.435,1288 0.363,1289 13.101,1290 16.309,1291 12.647,1292 10.395,1293 18.919,1294 14.893,1295 16.445,1296 0.279,1297 0.211,1298 18.116,1299 12.452,1300 14.431,1301 0.18,1302 0.127,1303 16.104,1304 10.14,1305 11.574,1306 0.115,1307 0.075,1308 13.133,1309 7.601,1310 9.016,1311 0.073,1312 0.044,1313 10.415,1314 5.405,1315 0.228,1316 121.437,1317 0.191,1318 34.168,1319 0.375,1320 200,1321 525.206,1322 269.173,1323 559.988,1324 753.19,1325 518,1326 239,1327 499.815,1328 315.125,1329 554.846,1330 816.62,1331 522,1332 6.563}
{0 CHEMBL246335,1 1.687,2 15.395,3 5.234,4 27.396,5 149.758,6 7.862,7 0.405,8 4.351,9 4.459,10 4.075,11 3.946,12 5.349,13 3.892,14 4.96,15 5.132,16 4.438,17 4.382,18 6.076,19 4.307,20 5.281,21 5.487,22 4.586,23 4.59,24 6.313,25 4.475,26 5.409,27 5.621,28 4.557,29 4.575,30 6.529,31 4.465,32 5.402,33 5.638,34 4.421,35 4.514,36 6.567,37 4.387,38 5.315,39 5.556,40 4.432,41 4.51,42 6.267,43 4.369,44 5.364,45 5.602,46 4.405,47 4.5,48 6.44,49 4.372,50 5.301,51 5.55,52 4.184,53 4.418,54 6.263,55 4.266,56 0.079,57 1.097,58 16.947,59 7.287,60 17.622,61 9.009,62 0.465,63 1.865,64 31.227,65 12.314,66 58.134,67 15.844,68 0.491,69 2.437,70 52.379,71 18.739,72 71.656,73 22.957,74 0.851,75 2.558,76 62.854,77 20.296,78 146.446,79 24.182,80 1.226,81 2.433,82 60.337,83 19.245,84 200.369,85 24.325,86 0.579,87 2.343,88 57.724,89 19.192,90 90.095,91 24.264,92 0.956,93 2.443,94 59.786,95 19.489,96 148.263,97 24.15,98 0.685,99 2.238,100 53.933,101 18.481,102 125.032,103 23.68,104 37,105 61,106 0.262,107 0.539,108 0.735,109 0.86,110 0.875,111 0.875,112 3.668,113 1.071,114 -5.4,115 -5.28,116 -4.93,119 40.8,121 5,124 1,125 4,127 2,138 10,139 3,140 3,151 1,163 13,165 4,166 7,172 17,175 2,176 9,183 14,186 1,187 15,194 10,197 4,198 10,205 9,208 1,209 9,217 8,220 1,221 16,227 8,231 7,238 8,241 2,242 6,249 9,252 2982,253 25.393,254 25.393,255 25.393,256 25.393,257 25.393,258 22.932,259 27.141,260 14.595,261 25.954,262 20.637,263 20.637,264 20.637,265 20.637,266 20.637,267 16.858,268 33.719,269 6.83,270 21.617,271 4.463,272 2.683,273 1.419,274 0.613,275 0.518,276 0.518,277 4.367,279 1,284 1281,285 4.359,287 117.267,288 497.008,292 185.225,295 2.573,296 56.406,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 82.333,308 585,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.165,328 3.205,329 6.457,330 3.923,331 2.963,332 3.774,333 0.624,334 9.936,335 2.83,336 4.156,337 3.183,338 6.025,339 3.772,340 2.803,341 3.323,342 0.375,343 8.562,344 2.709,345 3.666,346 2.937,347 6.007,348 3.55,349 2.598,350 2.91,352 8.258,353 2.469,354 3.492,355 2.747,356 5.4,357 3.259,358 2.338,359 2.66,361 6.901,362 2.148,363 3.339,364 2.492,365 5.241,366 2.96,367 2.023,368 2.5,370 6.076,371 1.862,372 3.162,373 2.319,374 4.993,375 2.757,376 1.781,377 2.34,379 5.261,380 1.705,381 2.963,382 2.002,383 4.555,384 2.614,385 1.618,386 2.107,388 4.234,389 1.61,390 2.901,391 1.665,392 4.204,393 2.509,394 1.526,395 2.061,397 3.883,398 1.497,399 2.849,400 1.533,401 4.107,402 2.382,403 1.414,404 1.975,406 3.63,407 1.366,408 2.817,409 1.5,410 3.941,411 2.378,412 1.393,413 1.833,415 2.986,416 1.346,417 2.368,418 1.32,419 3.605,420 2.01,421 1.046,422 1.307,424 2.657,425 1.006,426 2.076,427 1.206,428 3.483,429 1.984,430 1,431 1.064,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 18.533,445 0.488,446 1.092,447 0.029,448 44.75,449 1.178,450 20.5,451 0.539,452 24.25,453 0.638,454 41.004,455 1.079,456 42.067,457 0.592,458 38.139,459 1.004,460 8.318,461 0.219,462 9.934,463 0.261,464 0.135,465 0.045,466 0.308,470 1,472 0.495,473 1.292,474 0.717,475 1.182,476 0.538,477 0.999,478 0.652,479 1.011,480 0.754,481 0.877,482 0.504,483 0.92,484 0.873,485 1.052,486 1.033,487 1.099,488 0.75,489 1.006,490 1.401,491 1.071,492 1.133,493 1.105,494 1.509,495 1.044,496 1.181,497 0.811,498 0.958,499 0.839,500 1.277,501 0.927,502 0.785,503 0.964,504 0.846,505 1.02,506 0.77,507 0.974,508 1.105,509 0.951,510 0.969,511 1.006,512 1.172,513 0.991,514 1.063,515 1.001,516 0.927,517 1.005,518 1.162,519 1.039,520 8,521 0.272,522 6.222,523 3.181,524 2.756,525 1.688,526 0.966,527 0.703,528 0.478,529 0.368,530 24945,531 68934,532 2.075,533 46.5,535 23,540 6,541 4,542 1.784,543 1.924,544 3.869,545 -0.758,550 119.776,551 1.687,552 3.467,553 4.731,554 5.537,555 5.632,556 5.632,557 3.389,558 4.965,559 5.215,560 4.082,561 2869.7,562 9.17,563 48694.1,568 436.632,569 1.584,570 5.165,571 0.19,572 0.007,573 0.102,574 0.048,575 0.045,576 0.031,577 0.018,578 0.013,579 0.011,580 0.009,581 0.475,582 0.17,583 0.75,584 0.559,585 213.195,586 0.068,587 -0.173,588 0.14,589 -0.08,590 -0.052,591 0.006,592 0.111,593 0.048,594 0.061,595 0.078,596 0.135,597 0.031,598 -0.021,599 -0.025,600 -0.01,601 -0.037,602 0.037,603 -0.017,604 -0.159,605 -0.076,606 -0.095,607 -0.088,608 -0.152,609 -0.085,610 -0.008,611 0.095,612 -0.029,613 0.087,614 -0.001,615 0.019,617 -0.06,618 0.066,619 -0.011,620 0.019,621 0.016,622 -0.027,623 0.029,624 -0.025,625 -0.027,626 -0.033,627 -0.021,628 -0.101,629 -0.072,630 -0.056,631 -0.051,632 -0.119,633 -0.055,634 4.76,635 6.621,636 0.711,637 52.205,638 1.005,639 1.126,640 4.17,641 17.389,642 0.676,643 3.761,644 4.127,645 4.431,646 4.654,647 4.852,648 4.927,649 5.037,650 5.118,651 5.273,652 5.333,653 8.904,654 0.634,655 558.17,656 3.761,657 5.333,658 6.205,659 7.098,660 7.984,661 8.881,662 9.773,663 10.673,664 11.57,665 12.473,666 4.2,669 2,673 1,680 2,681 10,686 4,688 17,702 2,703 71,705 20,706 3,707 42,709 75,710 29,711 16,712 6,713 10,717 5,718 6,719 1,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,745 1,747 33,748 7,750 9,751 2,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,803 1,805 38,808 1,810 9,814 2,815 3,824 2,825 4.2,828 3,832 19.75,833 12.802,834 8.194,835 4.506,836 3.063,837 1.359,838 0.992,839 8.181,840 11.59,841 3.998,842 4.605,843 5.14,844 5.629,845 6.149,846 6.406,847 6.787,848 7.031,849 7.401,850 7.347,851 1,852 66,853 14.574,854 6.746,855 7.865,856 27.427,857 23.807,859 2.365,860 89.861,864 388.446,865 157.27,866 7.767,867 39.149,868 69.458,869 14.96,870 5.807,871 151.463,872 497.053,873 22.727,874 8.396,875 24.22,876 100.57,877 74.163,878 27.147,879 14.96,880 388.446,881 39.149,882 388.446,883 159.23,884 84.418,885 44.956,887 285.695,888 187.169,891 28.863,892 130.367,893 44.956,895 403.406,896 77.225,897 196.419,899 5.807,900 388.446,901 48.304,902 110.926,904 123.567,905 388.446,906 92.185,907 196.419,909 0.596,910 0.362,911 0.184,912 0.094,913 30,914 14,915 0.093,916 7,917 1,918 1.074,919 4.763,920 376.732,921 0.074,922 27,923 191.421,927 1,928 27.238,929 11.414,930 5.688,931 1.543,932 92.185,933 17.209,938 1.3,941 677.05,942 53.5,945 -3.844,946 40.81,950 -0.139,952 71.338,953 79.97,954 0.274,955 0.564,956 0.769,957 0.9,958 0.916,959 0.916,960 5.274,961 1.781,962 6.229,963 6.076,964 4.812,965 5.293,966 2.253,967 7.109,968 4.719,969 6.496,970 1.618,971 7.845,972 5.261,973 4.575,974 5.345,975 1.738,976 8.326,977 4.373,978 7.841,979 1.526,980 9.577,981 4.234,982 6.509,983 7.567,984 3.107,985 11.432,986 6.31,987 9.23,988 1.414,989 11.382,990 3.883,991 7.116,992 8.477,993 3.217,994 13.521,995 6.802,996 10.659,997 1.393,998 13.235,999 3.63,1000 8.556,1001 10.245,1002 4.292,1003 16.245,1004 8.228,1005 12.118,1006 1.046,1007 15.124,1008 2.986,1009 9.52,1010 11.515,1011 4.678,1012 18.665,1013 9.085,1014 13.6,1015 1,1016 17.04,1017 2.657,1018 10.801,1019 13.134,1020 5.58,1021 21.304,1022 10.327,1023 3.57,1024 0.926,1025 18.977,1026 2.275,1027 11.917,1028 14.556,1029 6.104,1030 23.853,1031 11.346,1032 3.05,1033 13.988,1034 20.932,1035 2.153,1036 13.153,1037 16.123,1038 6.909,1039 26.479,1040 12.523,1041 2.963,1042 10.275,1043 22.902,1044 4.797,1045 14.338,1046 17.613,1047 7.507,1048 29.078,1049 13.616,1050 2.803,1051 9.936,1052 24.884,1053 4.374,1054 15.57,1055 19.163,1056 8.258,1057 31.706,1058 14.775,1059 2.598,1060 8.562,1061 26.876,1062 3.774,1063 16.788,1064 20.684,1065 8.895,1066 34.327,1067 15.905,1068 2.338,1069 8.258,1070 28.877,1071 3.323,1072 18.026,1073 22.231,1074 9.617,1075 36.959,1076 17.063,1077 2.023,1078 6.901,1079 30.885,1080 2.91,1081 19.262,1082 23.768,1083 10.276,1084 39.589,1085 18.212,1086 23277,1087 38939,1088 27.739,1089 48.006,1090 63.807,1091 66.192,1092 66.249,1093 64.153,1094 63.774,1095 80.187,1096 7.57,1097 191.122,1098 60.83,1099 5.96,1100 6.734,1101 7.426,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.307,1109 1.519,1110 1.576,1111 1.577,1112 1.527,1113 1.518,1114 1.909,1115 0.18,1116 4.551,1117 1.448,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 8.201,1123 4.101,1124 3.969,1125 4.011,1126 4.084,1127 3.876,1128 7.715,1129 3.87,1130 3.933,1131 3.957,1132 3.891,1133 3.863,1134 7.427,1135 3.822,1136 3.843,1137 3.886,1138 3.786,1139 3.712,1140 6.999,1141 3.701,1142 3.651,1143 3.653,1144 3.627,1145 3.555,1146 4.998,1147 3.522,1148 3.475,1149 3.549,1150 3.466,1151 3.279,1152 4.651,1153 3.281,1154 3.291,1155 3.359,1156 3.339,1157 3.193,1158 4.507,1159 3.151,1160 3.276,1161 3.297,1162 3.186,1163 3.1,1164 4.366,1165 3.098,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.923,1191 1.891,1192 2.073,1193 2.065,1194 1.326,1195 2.071,1196 1.838,1197 1.789,1198 2.001,1199 1.982,1200 1.223,1201 1.99,1202 1.715,1203 1.73,1204 1.858,1205 1.855,1206 1.2,1207 1.878,1208 1.609,1209 1.555,1210 1.729,1211 1.78,1212 1.067,1213 1.811,1214 1.457,1215 1.393,1216 1.655,1217 1.658,1218 0.89,1219 1.682,1220 1.378,1221 1.319,1222 1.608,1223 1.544,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.467,1230 0.759,1231 1.503,1232 4.443,1233 5.796,1234 2.398,1235 7.349,1236 4.595,1237 8.989,1238 6.629,1239 10.673,1241 1.795,1242 6.257,1243 13.942,1247 6.19,1251 -0.64,1252 5.438,1257 45.035,1258 119.776,1259 246.152,1260 335.903,1261 393.122,1262 399.877,1263 399.877,1264 105.211,1265 8.528,1266 60.93,1267 69.31,1268 29,1269 12.994,1270 4.392,1271 3.644,1272 59.402,1273 201,1274 214,1275 0.14,1276 278.668,1277 491.16,1278 671.711,1279 77004,1280 2.8,1281 26.863,1282 0.707,1283 0.608,1284 26.743,1285 23.095,1286 18.252,1287 0.435,1288 0.357,1289 13.182,1290 16.608,1291 12.749,1292 10.45,1293 18.919,1294 14.999,1295 16.963,1296 0.278,1297 0.206,1298 18.116,1299 12.558,1300 14.958,1301 0.18,1302 0.123,1303 16.104,1304 10.235,1305 11.898,1306 0.114,1307 0.074,1308 13.133,1309 7.649,1310 9.178,1311 0.072,1312 0.043,1313 10.415,1314 5.411,1315 0.226,1316 124.767,1317 0.19,1318 34.894,1319 0.37,1320 206,1321 619.317,1322 279.003,1323 621.927,1324 825.12,1325 574,1326 247,1327 544.148,1328 326.617,1329 592.191,1330 872.93,1331 557,1332 6.585}
{0 CHEMBL246384,1 1.549,2 13.774,3 2.936,4 8.618,5 123.47,6 7.123,7 0.353,8 4.204,9 4.322,10 3.872,11 3.777,12 5.139,13 3.711,14 4.813,15 4.992,16 4.159,17 4.195,18 5.891,19 4.1,20 5.144,21 5.374,22 4.22,23 4.364,24 6.054,25 4.215,26 5.209,27 5.453,28 4.235,29 4.312,30 6.212,31 4.179,32 5.168,33 5.401,34 4.132,35 4.238,36 6.402,37 4.128,38 5.07,39 5.305,40 4.021,41 4.254,42 6.021,43 4.118,44 5.112,45 5.367,46 3.962,47 4.277,48 5.947,49 4.097,50 5.104,51 5.382,52 3.783,53 4.105,54 6.013,55 3.927,56 0.09,57 0.924,58 17.188,59 6.366,60 14.791,61 8.348,62 0.422,63 1.557,64 30.193,65 10.829,66 57.021,67 14.582,68 0.459,69 1.98,70 45.162,71 15.326,72 60.182,73 20.174,74 0.525,75 1.977,76 51.919,77 16.024,78 83.476,79 20.788,80 0.936,81 1.814,82 46.459,83 14.098,84 173.339,85 18.529,86 0.495,87 1.755,88 40.086,89 13.687,90 77.385,91 18.467,92 0.323,93 1.831,94 43.082,95 15.553,96 53.324,97 20.943,98 0.485,99 1.683,100 44.367,101 13.936,102 83.039,103 19.167,104 10,105 47,106 0.249,107 0.518,108 0.683,109 0.778,110 0.813,111 0.829,112 3.471,113 1.122,114 -3.45,115 -3.43,116 -3.27,119 38.7,121 4,125 5,127 2,138 10,139 2,151 1,163 13,165 3,166 5,169 1,171 2,172 13,175 1,176 6,179 1,181 1,183 6,187 15,190 1,192 1,194 2,197 2,198 9,201 2,205 8,208 1,209 4,214 2,217 10,220 1,221 7,226 4,227 6,231 4,236 4,238 4,241 2,242 4,247 2,249 5,252 1731,253 20.955,254 20.955,255 20.955,256 20.955,257 20.955,258 19.007,259 28.015,260 12.607,261 21.263,262 16.837,263 16.837,264 16.837,265 16.837,266 16.837,267 13.936,268 41.834,269 6.053,270 17.353,271 4.405,272 2.736,273 1.714,274 1.121,275 0.903,276 0.806,277 4.166,282 1,283 1,284 927,285 3.873,287 99.393,288 338.219,295 2.169,296 38.711,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 66.5,308 427,309 4.834,310 4.567,311 7.432,312 4.4,313 3.463,314 4.579,315 1.956,316 13.045,317 3.231,318 3.994,319 3.747,320 6.178,321 3.769,322 2.801,323 3.457,324 1.416,325 8.998,326 2.701,327 3.936,328 3.02,329 5.618,330 3.646,331 2.681,332 3.407,333 0.916,334 7.786,335 2.59,336 3.829,337 2.735,338 5.404,339 3.449,340 2.462,341 3.138,342 0.465,343 7.077,344 2.431,345 3.559,346 2.567,347 5.288,348 3.352,349 2.359,350 2.6,351 0.172,352 6.703,353 2.335,354 3.185,355 2.423,356 4.979,357 3.012,358 2.069,359 2.242,360 0.132,361 5.908,362 1.943,363 2.938,364 2.237,365 4.67,366 2.669,367 1.676,368 2.055,370 4.527,371 1.65,372 2.869,373 1.533,374 3.839,375 2.43,376 1.43,377 1.977,379 3.062,380 1.429,381 2.787,382 1.519,383 3.593,384 2.405,385 1.411,386 1.817,388 3.035,389 1.401,390 2.5,391 1.265,392 3.563,393 2,394 1,395 1.5,397 2.275,398 1,399 2.5,400 1.118,401 3.414,402 2,403 1,404 1.5,406 2.267,407 1,408 2,409 1.077,410 3.4,411 1.984,412 1,413 1,415 2.136,416 0.983,417 1.946,418 1,419 3.247,420 1.839,421 0.876,422 0.912,424 2.136,425 0.839,426 1.878,427 1,428 3.247,429 1.759,430 0.78,431 0.816,433 1.989,434 0.758,435 1.368,436 0.647,437 3,438 1.185,439 0.206,440 0.227,442 0.507,443 0.2,444 15.033,445 0.485,446 0.748,447 0.024,448 36,449 1.161,450 16.5,451 0.532,452 19.5,453 0.629,454 29.975,455 0.967,456 34.767,457 0.561,458 27.33,459 0.882,460 6.688,461 0.216,462 8.322,463 0.268,464 0.067,465 0.055,466 0.22,472 0.531,473 1.44,474 0.874,475 1.279,476 0.575,477 1.063,478 0.684,479 1.212,480 1.043,481 1.106,482 0.517,483 1.084,484 1.056,485 1.066,486 1.144,487 1.085,488 0.968,489 1.073,490 1.292,491 1.076,492 1.15,493 1.138,494 1.348,495 0.973,496 1.662,497 0.885,498 1.08,499 0.853,500 1.754,501 0.895,502 1.246,503 0.953,504 1.044,505 0.936,506 1.239,507 1.008,508 0.747,509 1.093,510 1.058,511 1.145,512 0.702,513 1.119,514 1.188,515 1.013,516 1.037,517 1.002,518 1.222,519 0.979,520 6.5,521 0.1,522 3.111,523 2.056,524 2.109,525 0.659,526 0.747,527 0.392,528 0.25,529 0.228,530 14457,531 33942,532 2.096,533 50,535 22,538 1,540 4,541 4,542 1.733,543 1.989,544 3.715,545 -0.361,547 1,550 96.031,551 1.549,552 3.218,553 4.241,554 4.833,555 5.051,556 5.148,557 3.212,558 4.503,559 4.922,560 3.897,561 1812.19,562 8.581,563 26711.7,565 1,568 369.16,569 1.379,570 4.892,571 0.191,572 0.004,573 0.066,574 0.046,575 0.047,576 0.015,577 0.019,578 0.011,579 0.009,580 0.009,581 0.417,582 0.33,583 1,584 0.486,585 163.698,586 0.109,587 -0.181,588 0.21,589 -0.071,590 -0.073,591 0.017,592 0.207,593 -0.038,594 -0.039,595 -0.061,596 0.182,597 -0.086,598 -0.057,599 -0.007,600 -0.066,601 -0.048,602 -0.063,603 -0.09,604 -0.037,605 -0.085,606 0.017,607 -0.085,608 -0.051,609 -0.002,610 -0.005,611 0.074,612 -0.052,613 0.074,614 0.069,615 0.024,616 -0.135,617 0.045,618 -0.101,619 0.013,620 -0.115,621 -0.042,622 0.003,623 -0.118,624 -0.073,625 -0.134,626 0.008,627 -0.112,628 -0.084,629 -0.106,630 -0.037,631 -0.059,632 -0.072,633 -0.02,634 4.444,635 5.965,636 0.742,637 36.77,638 0.996,639 1.127,640 2.217,641 4.917,642 0.656,643 3.555,644 3.871,645 4.094,646 4.344,647 4.489,648 4.419,649 4.533,650 4.654,651 4.663,652 4.771,653 7.866,654 0.609,655 441.65,656 3.555,657 5.094,658 5.927,659 6.801,660 7.651,661 8.53,662 9.389,663 10.27,664 11.135,665 12.019,666 4.8,669 2,673 1,681 10,686 2,688 12,703 62,705 15,706 2,707 34,709 65,710 24,711 12,712 2,713 10,717 4,718 4,724 6,727 6,729 13,730 11,733 3,736 1,737 3,741 1,744 1,747 31,748 6,749 1,750 7,751 1,755 3,760 1,761 3,773 1,775 1,776 3,783 1,792 1,796 4,799 1,805 31,808 1,810 9,811 1,814 2,815 2,825 4.8,828 3,832 15.583,833 10.567,834 6.764,835 3.882,836 1.753,837 1.23,838 0.978,839 7.189,840 9.384,841 3.784,842 4.304,843 4.649,844 5.089,845 5.465,846 5.241,847 5.454,848 5.724,849 5.641,850 5.834,851 1,852 45,853 11.857,854 5.368,855 7.745,856 22.7,857 19.548,859 2.245,860 69.583,863 1,864 353.133,865 131.106,866 22.654,868 69.458,870 5.807,871 125.299,872 422.591,873 22.654,875 37.471,876 100.57,877 74.163,878 11.014,880 353.133,882 353.133,883 147.953,884 69.458,885 5.807,887 258.964,888 163.627,891 42.114,892 105.838,893 5.807,895 353.133,896 92.112,897 131.106,899 5.807,900 353.133,901 30.536,902 99.405,903 18.011,904 69.458,905 353.133,906 92.112,907 131.106,909 0.579,910 0.329,911 0.179,912 0.095,913 22,914 9,915 0.108,916 7,918 1,919 4.337,920 271.351,922 23,923 136.825,927 1,928 22.166,929 10.054,930 5.808,932 92.112,933 19.578,938 2.051,940 18.011,941 576.351,942 43,945 -3.527,946 38.895,950 -0.143,952 61.734,953 69.856,954 0.26,955 0.54,956 0.712,957 0.812,958 0.848,959 0.865,960 5.03,961 1.43,962 5.922,963 4.527,964 4.554,965 4.99,966 2.597,967 6.739,968 4.489,969 6.212,970 1.411,971 7.485,972 3.062,973 4.205,974 4.913,975 1.668,976 7.881,977 4.062,978 7.526,979 1,980 9.167,981 3.035,982 6.188,983 7.134,984 3.391,985 10.942,986 6.029,987 8.88,988 1,989 10.928,990 2.275,991 6.698,992 7.928,993 3.135,994 12.99,995 6.439,996 10.279,997 1,998 12.745,999 2.267,1000 8.168,1001 9.687,1002 4.431,1003 15.673,1004 7.883,1005 11.708,1006 0.876,1007 14.603,1008 2.136,1009 9.067,1010 10.866,1011 4.564,1012 18.056,1013 8.678,1014 13.163,1015 0.78,1016 16.492,1017 2.136,1018 10.357,1019 12.468,1020 5.596,1021 20.65,1022 9.924,1023 3.463,1024 0.206,1025 18.406,1026 1.989,1027 11.436,1028 13.826,1029 5.961,1030 23.153,1031 10.904,1032 2.801,1033 13.045,1034 20.339,1035 0.507,1036 12.669,1037 15.373,1038 6.836,1039 25.726,1040 12.077,1041 2.681,1042 8.998,1043 22.287,1044 4.579,1045 13.832,1046 16.815,1047 7.335,1048 28.27,1049 13.148,1050 2.462,1051 7.786,1052 24.248,1053 3.457,1054 15.054,1055 18.342,1056 8.119,1057 30.839,1058 14.301,1059 2.359,1060 7.077,1061 26.217,1062 3.407,1063 16.255,1064 19.825,1065 8.695,1066 33.398,1067 15.417,1068 2.069,1069 6.703,1070 28.194,1071 3.138,1072 17.479,1073 21.346,1074 9.428,1075 35.966,1076 16.568,1077 1.676,1078 5.908,1079 30.178,1080 2.6,1081 18.699,1082 22.848,1083 10.046,1084 38.53,1085 17.708,1086 13610,1087 21035,1088 22.94,1089 40.688,1090 50.307,1091 52.363,1092 51.028,1093 50.503,1094 50.429,1095 62.452,1096 10.114,1097 142.901,1098 48.98,1099 5.834,1100 6.567,1101 7.234,1102 5.455,1103 5.463,1104 7.579,1105 3.423,1106 21.006,1107 5.231,1108 12.204,1109 1.48,1110 1.54,1111 1.501,1112 1.485,1113 1.483,1114 1.837,1115 0.297,1116 4.203,1117 1.441,1118 4.094,1119 4.096,1120 4.733,1121 4.047,1122 7.714,1123 3.965,1124 3.946,1125 3.987,1126 3.872,1127 3.865,1128 7.428,1129 3.856,1130 3.86,1131 3.899,1132 3.789,1133 3.77,1134 6.999,1135 3.757,1136 3.797,1137 3.845,1138 3.736,1139 3.676,1140 4.764,1141 3.662,1142 3.613,1143 3.604,1144 3.602,1145 3.518,1146 4.737,1147 3.458,1148 3.357,1149 3.426,1150 3.243,1151 3.126,1152 4.357,1153 3.142,1154 3.141,1155 3.206,1156 2.999,1157 2.963,1158 4.212,1159 2.966,1160 3.111,1161 3.199,1162 2.866,1163 2.941,1164 3.914,1165 2.91,1166 0.142,1167 0.134,1168 0.219,1169 0.129,1170 0.102,1171 4.834,1172 0.135,1173 4.567,1174 0.058,1175 7.432,1176 0.384,1177 4.4,1178 0.095,1179 3.463,1180 4.579,1181 1.956,1182 13.045,1183 3.231,1184 1.947,1185 1.941,1186 2.078,1187 2.065,1188 1.414,1189 2.076,1190 1.928,1191 1.892,1192 2.033,1193 2.024,1194 1.272,1195 2.059,1196 1.808,1197 1.756,1198 1.99,1199 1.95,1200 1.216,1201 1.965,1202 1.683,1203 1.687,1204 1.856,1205 1.835,1206 1.136,1207 1.861,1208 1.599,1209 1.544,1210 1.68,1211 1.77,1212 1.017,1213 1.803,1214 1.328,1215 1.282,1216 1.513,1217 1.555,1218 0.825,1219 1.567,1220 1.207,1221 1.139,1222 1.5,1223 1.413,1224 0.757,1225 1.442,1226 1.153,1227 1.064,1228 1.434,1229 1.376,1230 0.721,1231 1.429,1232 4.234,1233 5.549,1234 2.398,1235 7.052,1236 4.595,1237 8.636,1238 6.629,1239 10.264,1247 6.243,1248 3.139,1251 -0.477,1252 3.823,1257 37.771,1258 96.031,1259 199.528,1260 262.921,1261 299.65,1262 313.16,1263 319.16,1264 74.88,1265 7.63,1266 69.72,1267 78.1,1268 23,1269 12.556,1270 4,1271 3.322,1272 49.67,1273 145,1274 152,1275 0.163,1276 234.424,1277 411.92,1278 563.754,1279 24632,1281 21.684,1282 0.699,1283 0.601,1284 21.934,1285 18.636,1286 15.01,1287 0.441,1288 0.374,1289 11.137,1290 13.826,1291 10.776,1292 8.878,1293 15.831,1294 12.722,1295 13.737,1296 0.292,1297 0.223,1298 15.019,1299 10.477,1300 10.906,1301 0.185,1302 0.137,1303 11.995,1304 8.088,1305 9.224,1306 0.121,1307 0.084,1308 10.434,1309 6.353,1310 7.117,1311 0.081,1312 0.051,1313 8.184,1314 4.453,1315 0.263,1316 101.384,1317 0.209,1318 29.688,1319 0.429,1320 162,1321 429.69,1322 211.952,1323 435.343,1324 582.88,1325 402,1326 187,1327 390.421,1328 247.916,1329 429.738,1330 622.26,1331 403,1332 4.824}
{0 CHEMBL246385,1 1.51,2 15,3 4.191,4 17.561,5 171.83,6 6.953,7 0.354,8 4.547,9 4.666,10 4.166,11 4.097,12 5.455,13 4.041,14 5.174,15 5.36,16 4.49,17 4.529,18 6.169,19 4.447,20 5.488,21 5.718,22 4.585,23 4.737,24 6.357,25 4.604,26 5.59,27 5.824,28 4.577,29 4.739,30 6.538,31 4.605,32 5.629,33 5.884,34 4.571,35 4.717,36 6.664,37 4.588,38 5.588,39 5.831,40 4.616,41 4.777,42 6.461,43 4.646,44 5.698,45 5.938,46 4.637,47 4.862,48 6.59,49 4.722,50 5.772,51 6.027,52 4.587,53 4.867,54 6.653,55 4.707,56 0.102,57 1.289,58 23.421,59 8.865,60 14.705,61 11.847,62 0.593,63 2.199,64 42.126,65 14.631,66 63.051,67 20.289,68 0.661,69 2.826,70 62.981,71 21.632,72 59.261,73 28.998,74 0.672,75 2.926,76 70.148,77 23.381,78 93.603,79 31.384,80 1.181,81 2.948,82 70.551,83 22.401,84 175.274,85 31.094,86 0.729,87 3.038,88 68.989,89 22.969,90 79.737,91 31.444,92 0.803,93 3.309,94 77.715,95 25.935,96 98.144,97 35.101,98 1.043,99 3.405,100 81.817,101 27.405,102 128.305,103 37.917,104 10,105 67,106 0.226,107 0.471,108 0.665,109 0.821,110 0.842,111 0.849,112 3.788,113 1.082,114 -4.01,115 -3.96,116 -3.75,119 39.1,121 5,125 10,127 2,138 12,139 3,140 1,151 1,163 17,165 4,166 7,172 21,175 4,176 9,183 15,186 1,187 16,194 7,197 5,198 12,205 9,208 3,209 13,217 10,220 2,221 14,227 8,230 3,231 10,238 10,241 3,242 12,249 7,252 4651,253 29.531,254 29.531,255 29.531,256 29.531,257 29.531,258 27.168,259 33.674,260 17.601,261 30.207,262 23.712,263 23.712,264 23.712,265 23.712,266 23.712,267 20.092,268 44.505,269 8.37,270 24.775,271 4.933,272 3.288,273 1.993,274 0.947,275 0.805,276 0.759,277 4.5,283 1,284 1427,285 4.528,287 135.882,288 744.449,292 214.706,295 2.233,296 49.624,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.81,307 92,308 645,309 4.959,310 4.734,311 7.737,312 4.499,313 3.569,314 4.791,315 1.985,316 13.99,317 3.303,318 4.357,319 3.871,320 6.665,321 4.019,322 3.061,323 4.25,324 0.86,325 10.572,326 2.933,327 4.18,328 2.986,329 6.194,330 3.847,331 2.855,332 3.446,333 0.8,334 9.179,335 2.82,336 3.904,337 2.886,338 6.02,339 3.591,340 2.626,341 3.342,342 0.8,343 8.359,344 2.548,345 3.662,346 2.867,347 5.438,348 3.497,349 2.53,350 2.73,351 0.624,352 7.186,353 2.451,354 3.517,355 2.77,356 5.338,357 3.426,358 2.492,359 2.569,360 0.375,361 6.957,362 2.299,363 3.39,364 2.641,365 5.309,366 3.24,367 2.31,368 2.515,370 6.709,371 2.138,372 3.211,373 2.476,374 5.182,375 2.826,376 1.838,377 2.427,379 5.648,380 1.804,381 3.118,382 2.161,383 4.63,384 2.621,385 1.634,386 2.332,388 4.568,389 1.618,390 2.94,391 1.699,392 4.415,393 2.618,394 1.618,395 2.082,397 4.254,398 1.613,399 2.878,400 1.618,401 4.065,402 2.487,403 1.523,404 2.011,406 3.338,407 1.484,408 2.81,409 1.612,410 3.671,411 2.422,412 1.49,413 1.837,415 3.148,416 1.366,417 2.55,418 1.505,419 3.639,420 2.335,421 1.341,422 1.546,424 2.993,425 1.328,426 2.5,427 1.396,428 3.609,429 2.114,430 1.173,431 1.5,433 2.877,434 1.093,435 2.217,436 1.256,437 3.513,438 2,439 1,440 1.199,442 2.275,443 1,444 20.767,445 0.483,446 0.944,447 0.022,448 48.5,449 1.128,450 20.5,451 0.477,452 28,453 0.651,454 49.896,455 1.16,456 48.233,457 0.554,458 42.06,459 0.978,460 9.048,461 0.21,462 11.939,463 0.278,464 0.048,465 0.04,466 0.246,472 0.61,473 1.511,474 0.869,475 1.298,476 0.578,477 1.088,478 0.983,479 1.113,480 0.972,481 0.952,482 0.576,483 0.996,484 0.963,485 0.998,486 1.155,487 1.072,488 0.772,489 1.018,490 1.234,491 1.155,492 1.122,493 1.162,494 1.586,495 1.073,496 1.298,497 0.909,498 0.931,499 0.811,500 1.516,501 0.865,502 1.027,503 1.021,504 1.077,505 1.017,506 0.971,507 0.97,508 1.207,509 1.045,510 1.18,511 1.103,512 1.361,513 1.052,514 1.14,515 1.038,516 1.056,517 1.023,518 1.355,519 1.041,520 7.5,521 0.301,522 5.333,523 2.493,524 2.565,525 1.743,526 1.123,527 0.806,528 0.615,529 0.476,530 33517,531 73814,532 2.148,533 50.6,535 34,540 6,541 4,542 1.822,543 2.056,544 3.826,545 -0.786,550 131.347,551 1.51,552 3.155,553 4.45,554 5.496,555 5.638,556 5.684,557 3.339,558 5.037,559 5.391,560 4.034,561 3643.12,562 9.576,563 66536.6,568 560.536,569 1.3,570 5.373,571 0.156,572 0.005,573 0.08,574 0.036,575 0.038,576 0.026,577 0.015,578 0.011,579 0.009,580 0.008,581 0.384,582 0.33,583 0.75,584 0.394,585 247.399,586 0.102,587 -0.25,588 0.194,589 -0.1,590 -0.06,591 -0.002,592 0.074,593 0.06,594 0.007,595 0.05,596 0.145,597 -0.011,598 -0.006,599 0.091,600 -0.041,601 -0.004,602 0.031,603 -0.02,604 -0.057,605 -0.151,606 -0.043,607 -0.128,608 -0.091,609 -0.086,610 0.042,611 0.062,612 0.064,613 0.115,614 0.08,615 0.077,616 -0.016,617 0.03,618 -0.007,619 0.002,620 0.019,621 0.011,622 -0.1,623 -0.021,624 -0.107,625 -0.076,626 -0.079,627 -0.068,628 -0.019,629 -0.077,630 -0.062,631 -0.055,632 -0.07,633 -0.068,634 4.733,635 7.374,636 0.767,637 62.089,638 0.994,639 1.127,640 2.778,641 7.716,642 0.652,643 3.892,644 4.22,645 4.511,646 4.754,647 4.977,648 5.037,649 5.187,650 5.323,651 5.476,652 5.561,653 8.829,654 0.605,655 604.89,656 3.892,657 5.442,658 6.301,659 7.18,660 8.055,661 8.942,662 9.827,663 10.72,664 11.611,665 12.509,666 4.6,669 3,673 1,680 2,681 12,686 2,688 17,703 87,705 20,706 3,707 48,709 92,710 34,711 16,712 4,713 12,717 6,718 7,724 6,727 7,729 17,730 17,733 3,736 1,737 3,741 1,747 44,748 8,750 9,751 1,755 4,760 0.833,761 4,773 1,775 1,776 5,780 1,784 1,792 2,795 1,796 5,799 1,805 43,808 1,810 15,812 1,814 2,815 4,825 4.6,828 3,829 1,832 20.917,833 15.05,834 9.389,835 5.649,836 2.779,837 1.321,838 0.989,839 9.884,840 11.432,841 4.103,842 4.644,843 5.142,844 5.619,845 6.134,846 6.342,847 6.711,848 6.995,849 7.334,850 7.251,851 1,852 70,853 16.463,854 7.449,855 7.614,856 31.879,857 27.634,859 2.114,860 90.917,864 517.928,865 172.812,866 10.892,868 80.458,870 5.807,871 167.005,872 598.386,873 10.892,875 41.827,876 119.522,877 85.162,878 17.649,880 517.928,882 517.928,883 177.896,884 80.458,885 5.807,887 400.217,888 187.169,889 11,891 49.595,892 128.302,893 5.807,895 517.928,896 91.349,897 172.812,899 5.807,900 517.928,901 53.29,902 124.606,904 80.458,905 517.928,906 91.349,907 172.812,909 0.58,910 0.344,911 0.183,912 0.098,913 32,914 13,915 0.109,916 10,917 1,918 1.061,919 5.21,920 452.969,921 0.061,922 33,923 219.329,927 1,928 30.392,929 13.985,930 7.2,931 1.886,932 91.349,933 23.642,938 1.61,941 782.09,942 59.5,945 -3.816,946 42.284,950 -0.03,952 86.465,953 98.055,954 0.234,955 0.49,956 0.691,957 0.853,958 0.875,959 0.882,960 5.362,961 1.838,962 6.29,963 6.709,964 4.905,965 5.333,966 2.481,967 7.132,968 4.822,969 6.54,970 1.634,971 7.871,972 5.648,973 4.511,974 5.239,975 1.803,976 8.287,977 4.345,978 7.856,979 1.618,980 9.572,981 4.568,982 6.55,983 7.523,984 3.174,985 11.401,986 6.364,987 9.216,988 1.523,989 11.354,990 4.254,991 7.057,992 8.359,993 3.23,994 13.487,995 6.775,996 10.624,997 1.49,998 13.193,999 3.338,1000 8.55,1001 10.155,1002 4.306,1003 16.214,1004 8.24,1005 12.066,1006 1.341,1007 15.074,1008 3.148,1009 9.462,1010 11.392,1011 4.68,1012 18.644,1013 9.053,1014 13.535,1015 1.173,1016 16.986,1017 2.993,1018 10.767,1019 13.023,1020 5.583,1021 21.287,1022 10.31,1023 3.569,1024 1,1025 18.924,1026 2.877,1027 11.863,1028 14.434,1029 6.105,1030 23.843,1031 11.31,1032 3.061,1033 13.99,1034 20.881,1035 2.275,1036 13.11,1037 16.008,1038 6.91,1039 26.472,1040 12.493,1041 2.855,1042 10.572,1043 22.854,1044 4.791,1045 14.29,1046 17.495,1047 7.507,1048 29.075,1049 13.58,1050 2.626,1051 9.179,1052 24.841,1053 4.25,1054 15.528,1055 19.05,1056 8.258,1057 31.705,1058 14.742,1059 2.53,1060 8.359,1061 26.838,1062 3.446,1063 16.748,1064 20.572,1065 8.895,1066 34.328,1067 15.871,1068 2.492,1069 7.186,1070 28.843,1071 3.342,1072 17.991,1073 22.123,1074 9.617,1075 36.961,1076 17.032,1077 2.31,1078 6.957,1079 30.856,1080 2.73,1081 19.231,1082 23.662,1083 10.276,1084 39.591,1085 18.184,1086 30803,1087 45982,1088 32.879,1089 56.716,1090 71.821,1091 73.787,1092 72.873,1093 72.128,1094 71.993,1095 88.043,1096 10.89,1097 206.913,1098 69.19,1099 5.959,1100 6.734,1101 7.539,1102 5.603,1103 5.569,1104 7.791,1105 3.458,1106 22.442,1107 5.303,1108 14.879,1109 1.496,1110 1.537,1111 1.518,1112 1.503,1113 1.5,1114 1.834,1115 0.227,1116 4.311,1117 1.441,1118 4.171,1119 4.171,1120 4.747,1121 4.148,1122 7.715,1123 4.097,1124 3.973,1125 4.02,1126 3.969,1127 3.876,1128 7.426,1129 3.868,1130 3.927,1131 3.955,1132 3.877,1133 3.859,1134 6.999,1135 3.819,1136 3.855,1137 3.896,1138 3.794,1139 3.727,1140 4.886,1141 3.713,1142 3.783,1143 3.847,1144 3.659,1145 3.577,1146 4.753,1147 3.586,1148 3.647,1149 3.651,1150 3.617,1151 3.544,1152 4.628,1153 3.514,1154 3.495,1155 3.562,1156 3.365,1157 3.297,1158 4.357,1159 3.302,1160 3.321,1161 3.395,1162 3.244,1163 3.192,1164 4.281,1165 3.156,1166 0.103,1167 0.099,1168 0.161,1169 0.094,1170 0.074,1171 4.959,1172 0.1,1173 4.734,1174 0.041,1175 7.737,1176 0.291,1177 4.499,1178 0.069,1179 3.569,1180 4.791,1181 1.985,1182 13.99,1183 3.303,1184 2.092,1185 2.086,1186 2.148,1187 2.139,1188 1.439,1189 2.162,1190 1.93,1191 1.896,1192 2.084,1193 2.072,1194 1.324,1195 2.078,1196 1.85,1197 1.799,1198 2.023,1199 2.001,1200 1.265,1201 2.01,1202 1.731,1203 1.731,1204 1.95,1205 1.956,1206 1.219,1207 1.961,1208 1.714,1209 1.666,1210 1.857,1211 1.856,1212 1.204,1213 1.882,1214 1.607,1215 1.553,1216 1.733,1217 1.781,1218 1.071,1219 1.81,1220 1.467,1221 1.403,1222 1.663,1223 1.671,1224 0.968,1225 1.693,1226 1.38,1227 1.322,1228 1.632,1229 1.547,1230 0.876,1231 1.578,1232 4.575,1233 5.9,1234 2.398,1235 7.427,1236 4.595,1237 9.042,1238 6.629,1239 10.704,1247 11.955,1249 5.538,1251 -0.537,1252 8.385,1257 52.668,1258 131.347,1259 274.497,1260 387.152,1261 478.172,1262 490.536,1263 494.536,1264 100.135,1265 8.653,1266 73.4,1267 81.78,1268 35,1269 13.034,1270 4.392,1271 3.644,1272 63.523,1273 215,1274 276,1275 0.133,1276 320.496,1277 563.81,1278 773.771,1279 82889,1281 29.65,1282 0.69,1283 0.601,1284 29.9,1285 25.836,1286 20.986,1287 0.437,1288 0.361,1289 15.794,1290 19.503,1291 15.395,1292 12.587,1293 21.775,1294 17.304,1295 18.804,1296 0.281,1297 0.208,1298 20.104,1299 13.967,1300 16.305,1301 0.181,1302 0.126,1303 17.62,1304 11.322,1305 13.395,1306 0.116,1307 0.074,1308 14.632,1309 8.549,1310 10.779,1311 0.075,1312 0.043,1313 11.985,1314 6.241,1315 0.21,1316 138.659,1317 0.174,1318 38.121,1319 0.363,1320 230,1321 590.383,1322 288.946,1323 584.061,1324 797.3,1325 546,1326 272,1327 549.053,1328 342.042,1329 590.997,1330 871.5,1331 558,1332 5}
{0 CHEMBL246584,1 1.531,2 12.903,3 3.445,4 11.871,5 124.217,6 6.932,7 0.324,8 4.232,9 4.354,10 3.875,11 3.794,12 5.141,13 3.724,14 4.856,15 5.046,16 4.209,17 4.232,18 5.908,19 4.136,20 5.185,21 5.414,22 4.303,23 4.428,24 6.107,25 4.282,26 5.3,27 5.554,28 4.292,29 4.382,30 6.305,31 4.256,32 5.18,33 5.4,34 4.179,35 4.309,36 6.397,37 4.184,38 5.169,39 5.427,40 4.077,41 4.295,42 6.088,43 4.133,44 5.147,45 5.416,46 4.005,47 4.236,48 6.042,49 4.075,50 5.037,51 5.291,52 3.858,53 4.118,54 5.994,55 3.973,56 0.097,57 0.955,58 18.236,59 6.633,60 14.85,61 8.87,62 0.437,63 1.61,64 31.258,65 11.263,66 57.541,67 15.548,68 0.41,69 2.078,70 48.365,71 16.404,72 54.298,73 21.665,74 0.668,75 2.093,76 55.785,77 16.591,78 93.313,79 22.172,80 0.852,81 1.854,82 46.018,83 14.851,84 159.636,85 19.694,86 0.452,87 1.872,88 45.874,89 15.462,90 76.317,91 21.012,92 0.468,93 1.806,94 46.362,95 14.937,96 68.319,97 20.203,98 0.489,99 1.601,100 40.939,101 12.656,102 75.939,103 17.417,104 28,105 49,106 0.245,107 0.517,108 0.712,109 0.816,110 0.828,111 0.838,112 3.472,113 1.131,114 -3.79,115 -3.75,116 -3.57,119 37.5,120 2,121 4,122 1,125 4,127 2,138 7,139 2,140 1,151 1,163 12,165 3,166 5,169 1,171 2,172 14,175 1,176 9,179 1,181 1,183 10,187 13,190 1,192 1,194 6,197 2,198 8,201 2,205 11,208 1,209 8,214 3,217 6,220 1,221 10,226 4,227 4,231 4,236 2,238 8,241 2,242 5,247 2,249 7,252 1702,253 20.565,254 20.565,255 20.565,256 20.565,257 20.565,258 18.928,259 22.83,260 11.998,261 20.904,262 16.785,263 16.785,264 16.785,265 16.785,266 16.785,267 14.188,268 32.37,269 5.686,270 17.352,271 4.469,272 2.772,273 1.561,274 0.91,275 0.836,276 0.774,277 4.163,282 1,283 1,284 864,285 4.183,287 92.446,288 276.062,292 144.54,295 2.035,296 40.629,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 66.5,308 400,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.897,322 2.908,323 4.25,324 0.8,325 9.495,326 2.88,327 3.995,328 2.92,329 6.136,330 3.749,331 2.773,332 3.166,333 0.465,334 8.963,335 2.691,336 3.66,337 2.864,338 5.563,339 3.583,340 2.63,341 2.681,342 0.132,343 7.539,344 2.501,345 3.359,346 2.665,347 5.366,348 3.272,349 2.307,350 2.592,352 6.743,353 2.229,354 3.227,355 2.386,356 5.121,357 2.902,358 1.923,359 2.427,361 5.574,362 1.871,363 3.118,364 1.948,365 4.478,366 2.745,367 1.769,368 2.297,370 4.543,371 1.717,372 2.966,373 1.698,374 4.405,375 2.618,376 1.618,377 2.045,379 4.382,380 1.618,381 2.834,382 1.618,383 4.318,384 2.566,385 1.567,386 1.912,388 3.978,389 1.559,390 2.767,391 1.396,392 3.723,393 2.334,394 1.336,395 1.757,397 2.963,398 1.332,399 2.16,400 1.21,401 3.597,402 1.984,403 1,404 1.002,406 2.275,407 0.983,408 2,409 1.077,410 3.414,411 1.811,412 0.838,413 1,415 2.155,416 0.811,417 1.936,418 0.982,419 3.397,420 1.754,421 0.776,422 0.868,424 1.981,425 0.754,426 1.875,427 0.67,428 3.171,429 1.635,430 0.64,431 0.808,433 1.518,434 0.637,435 1.259,436 0.63,437 2.85,438 1.123,439 0.144,440 0.151,442 0.343,443 0.14,444 15.033,445 0.485,446 0.917,447 0.03,448 34,449 1.097,450 14.5,451 0.468,452 19.5,453 0.629,454 33.191,455 1.071,456 35.367,457 0.553,458 26.458,459 0.853,460 5.849,461 0.189,462 8.992,463 0.29,464 0.133,465 0.055,466 0.286,472 0.532,473 1.473,474 0.893,475 1.308,476 0.591,477 1.098,478 0.653,479 1.133,480 0.875,481 0.969,482 0.487,483 1.001,484 0.907,485 1.133,486 1.171,487 1.173,488 0.768,489 1.071,490 1.451,491 0.899,492 1.069,493 0.956,494 1.504,495 0.854,496 1.517,497 0.996,498 1.087,499 0.966,500 1.663,501 1.021,502 1.011,503 1.033,504 0.989,505 1.009,506 0.999,507 0.987,508 1.091,509 0.942,510 1.05,511 0.986,512 1.038,513 0.916,514 1.421,515 0.982,516 1.126,517 0.998,518 1.455,519 0.981,520 7.5,521 0.195,522 4.222,523 2.368,524 2.393,525 1.142,526 0.801,527 0.545,528 0.327,529 0.198,530 13271,531 28233,532 2.057,533 51.6,534 6,535 17,538 1,540 5,541 4,542 1.736,543 1.908,544 3.631,545 -0.361,547 1,550 97.986,551 1.531,552 3.228,553 4.439,554 5.09,555 5.164,556 5.226,557 3.127,558 4.414,559 4.92,560 3.8,561 1767.12,562 8.592,563 25157.9,565 1,568 384,569 1.595,570 4.87,571 0.221,572 0.008,573 0.086,574 0.047,575 0.049,576 0.026,577 0.02,578 0.014,579 0.01,580 0.007,581 0.488,582 0.33,583 1,584 0.904,585 161.764,586 0.112,587 -0.18,588 0.212,589 -0.067,590 -0.086,591 0.018,592 0.228,593 0.039,594 0.087,595 0.057,596 0.204,597 0.014,598 0.007,599 -0.041,600 -0.03,601 -0.072,602 0.028,603 -0.06,604 -0.088,605 0.085,606 0.052,607 0.049,608 -0.09,609 0.097,610 0.032,611 -0.013,612 -0.075,613 -0.004,614 0.08,615 -0.071,616 -0.012,617 -0.06,618 0.016,619 -0.019,620 0.005,621 -0.005,622 -0.045,623 0.025,624 0.01,625 0.013,626 -0.009,627 0.055,628 -0.166,629 -0.014,630 -0.106,631 -0.034,632 -0.137,633 -0.026,634 4.64,635 6.37,636 0.677,637 34.01,638 0.994,639 1.129,640 2.561,641 6.558,642 0.648,643 3.555,644 3.912,645 4.174,646 4.431,647 4.625,648 4.663,649 4.796,650 4.89,651 4.97,652 4.984,653 7.363,654 0.598,655 443.67,656 3.555,657 5.118,658 5.974,659 6.868,660 7.745,661 8.642,662 9.529,663 10.429,664 11.322,665 12.225,666 4.7,669 2,673 1,680 2,681 7,686 1,688 11,703 64,705 14,706 2,707 34,709 67,710 24,711 10,712 3,713 7,717 4,718 5,721 2,724 6,727 6,729 11,730 13,731 1,733 3,736 1,737 3,741 1,747 33,748 6,749 1,750 7,751 1,755 3,760 0.75,761 3,773 1,775 1,776 3,780 1,783 1,792 1,796 3,799 1,801 2,805 31,808 1,810 8,811 1,814 3,815 2,825 4.7,828 3,832 16.25,833 11.65,834 6.667,835 4.208,836 2.257,837 1.289,838 0.97,839 6.781,840 10.08,841 3.773,842 4.35,843 4.838,844 5.347,845 5.887,846 6.18,847 6.58,848 6.871,849 7.209,850 7.061,851 0.889,852 50,853 11.921,854 5.469,855 7.728,856 22.817,857 19.866,859 2.228,860 69.083,864 376.675,865 119.754,866 22.654,868 69.458,870 5.807,871 113.946,872 446.133,873 22.654,874 17.65,875 36.572,876 72.141,877 74.163,878 11.34,880 376.675,882 376.675,883 136.6,884 69.458,885 5.807,887 270.735,888 175.398,891 58.865,892 77.735,893 5.807,895 376.675,896 92.112,897 119.754,899 5.807,900 376.675,901 29.962,902 88.627,903 18.011,904 69.458,905 376.675,906 92.112,907 119.754,909 0.591,910 0.34,911 0.183,912 0.097,913 24,914 11,915 0.09,916 6,917 1,918 1.095,919 4.175,920 281.953,921 0.095,922 21,923 145.58,927 1,928 22.416,929 9.378,930 5.012,931 1.887,932 92.112,933 12.899,938 0.257,940 18.011,941 588.541,942 42.5,945 -3.723,946 39.783,950 -0.149,952 63.618,953 72.271,954 0.255,955 0.538,956 0.74,957 0.848,958 0.861,959 0.871,960 5.048,961 1.618,962 5.999,963 4.543,964 4.595,965 5.037,966 2.183,967 6.87,968 4.527,969 6.26,970 1.567,971 7.604,972 4.382,973 4.369,974 5.13,975 1.668,976 8.111,977 4.224,978 7.602,979 1.336,980 9.329,981 3.978,982 6.282,983 7.303,984 3.052,985 11.209,986 6.113,987 8.989,988 1,989 11.132,990 2.963,991 6.889,992 8.265,993 3.128,994 13.348,995 6.619,996 10.42,997 0.838,998 12.99,999 2.275,1000 8.331,1001 10.014,1002 4.211,1003 16.084,1004 8.027,1005 11.884,1006 0.776,1007 14.888,1008 2.155,1009 9.301,1010 11.328,1011 4.561,1012 18.547,1013 8.893,1014 13.374,1015 0.64,1016 16.818,1017 1.981,1018 10.591,1019 12.943,1020 5.467,1021 21.202,1022 10.129,1023 3.565,1024 0.144,1025 18.771,1026 1.518,1027 11.721,1028 14.394,1029 5.96,1030 23.777,1031 11.158,1032 2.908,1033 13.976,1034 20.744,1035 0.343,1036 12.97,1037 15.964,1038 6.763,1039 26.416,1040 12.336,1041 2.773,1042 9.495,1043 22.732,1044 4.791,1045 14.17,1046 17.472,1047 7.334,1048 29.03,1049 13.439,1050 2.63,1051 8.963,1052 24.731,1053 4.25,1054 15.415,1055 19.027,1056 8.08,1057 31.666,1058 14.603,1059 2.307,1060 7.539,1061 26.741,1062 3.166,1063 16.647,1064 20.558,1065 8.694,1066 34.294,1067 15.742,1068 1.923,1069 6.743,1070 28.757,1071 2.681,1072 17.897,1073 22.11,1074 9.407,1075 36.931,1076 16.907,1077 1.769,1078 5.574,1079 30.78,1080 2.592,1081 19.146,1082 23.654,1083 10.046,1084 39.564,1085 18.064,1086 12681,1087 18814,1088 22.364,1089 41.449,1090 51.433,1091 53.314,1092 52.864,1093 51.643,1094 51.589,1095 63.491,1096 6.704,1097 152.853,1098 50.035,1099 5.958,1100 6.734,1101 7.422,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 16.33,1109 1.513,1110 1.568,1111 1.555,1112 1.519,1113 1.517,1114 1.867,1115 0.197,1116 4.496,1117 1.472,1118 4.166,1119 4.164,1120 4.746,1121 4.146,1122 7.715,1123 4.094,1124 3.948,1125 3.99,1126 3.968,1127 3.861,1128 7.428,1129 3.821,1130 3.881,1131 3.927,1132 3.799,1133 3.736,1134 6.999,1135 3.724,1136 3.668,1137 3.714,1138 3.638,1139 3.561,1140 4.884,1141 3.528,1142 3.614,1143 3.637,1144 3.458,1145 3.493,1146 4.404,1147 3.471,1148 3.32,1149 3.383,1150 3.249,1151 3.193,1152 4.283,1153 3.154,1154 3.277,1155 3.296,1156 3.187,1157 3.057,1158 4.218,1159 3.08,1160 3.111,1161 3.206,1162 2.906,1163 2.941,1164 4.156,1165 2.91,1166 0.146,1167 0.139,1168 0.227,1169 0.132,1170 0.105,1171 4.958,1172 0.141,1173 4.734,1174 0.058,1175 7.735,1176 0.411,1177 4.494,1178 0.097,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.423,1189 2.161,1190 1.86,1191 1.8,1192 2.066,1193 2.051,1194 1.324,1195 2.06,1196 1.724,1197 1.737,1198 1.931,1199 1.88,1200 1.221,1201 1.9,1202 1.662,1203 1.604,1204 1.854,1205 1.819,1206 1.199,1207 1.86,1208 1.594,1209 1.534,1210 1.69,1211 1.764,1212 1.064,1213 1.798,1214 1.413,1215 1.36,1216 1.607,1217 1.585,1218 0.825,1219 1.599,1220 1.175,1221 1.153,1222 1.513,1223 1.422,1224 0.754,1225 1.433,1226 1.153,1227 1.064,1228 1.417,1229 1.376,1230 0.65,1231 1.429,1232 4.234,1233 5.58,1234 2.398,1235 7.117,1236 4.595,1237 8.744,1238 6.629,1239 10.419,1241 4.442,1247 6.55,1248 3.146,1251 0.144,1252 3.847,1257 38.298,1258 97.986,1259 206.601,1260 284.084,1261 325.735,1262 330.49,1263 334.49,1264 78.7,1265 7.822,1266 69.72,1267 78.1,1268 23,1269 12.747,1270 3.907,1271 3.248,1272 49.559,1273 134,1274 153,1275 0.178,1276 237.351,1277 414.56,1278 570.897,1279 29754,1281 22.01,1282 0.71,1283 0.622,1284 22.26,1285 19.274,1286 14.841,1287 0.437,1288 0.377,1289 11.387,1290 13.64,1291 10.953,1292 9.09,1293 15.63,1294 12.818,1295 14.066,1296 0.287,1297 0.228,1298 15.367,1299 11.151,1300 11.324,1301 0.177,1302 0.13,1303 12.638,1304 8.295,1305 9.516,1306 0.115,1307 0.079,1308 10.759,1309 6.519,1310 7.485,1311 0.074,1312 0.046,1313 8.692,1314 4.684,1315 0.281,1316 100.048,1317 0.211,1318 29.281,1319 0.48,1320 166,1321 425.69,1322 219.292,1323 431.454,1324 585.01,1325 398,1326 196,1327 399.107,1328 259.417,1329 441.602,1330 649.65,1331 415,1332 5}
{0 CHEMBL246585,1 1.52,2 13.857,3 4.043,4 16.346,5 139.982,6 7.231,7 0.436,8 4.302,9 4.415,10 3.977,11 3.896,12 5.255,13 3.834,14 4.907,15 5.084,16 4.311,17 4.327,18 5.974,19 4.244,20 5.22,21 5.431,22 4.451,23 4.537,24 6.157,25 4.408,26 5.358,27 5.575,28 4.481,29 4.536,30 6.421,31 4.424,32 5.363,33 5.586,34 4.393,35 4.505,36 6.558,37 4.394,38 5.325,39 5.564,40 4.256,41 4.517,42 6.251,43 4.368,44 5.347,45 5.605,46 4.161,47 4.483,48 6.224,49 4.311,50 5.256,51 5.527,52 4.015,53 4.317,54 6.167,55 4.152,56 0.089,57 0.999,58 18.016,59 6.98,60 15.333,61 9.029,62 0.453,63 1.72,64 31.191,65 11.612,66 54.289,67 15.618,68 0.37,69 2.24,70 48.126,71 17.555,72 47.711,73 22.455,74 0.608,75 2.396,76 58.368,77 19.072,78 98.25,79 23.821,80 0.968,81 2.337,82 54.998,83 18.024,84 176.145,85 23.226,86 0.535,87 2.326,88 53.032,89 18.702,90 85.096,91 24.684,92 0.502,93 2.31,94 54.137,95 19.496,96 82.774,97 25.955,98 0.506,99 2.06,100 50.556,101 17.001,102 86.986,103 23.019,104 17,105 56,106 0.238,107 0.504,108 0.683,109 0.804,110 0.846,111 0.855,112 3.589,113 1.07,114 -4.38,115 -4.31,116 -4.07,119 41.2,121 4,124 1,125 4,127 2,138 12,139 3,140 1,151 1,163 16,165 4,166 7,172 18,175 2,176 10,183 12,186 1,187 19,194 7,197 4,198 12,205 12,208 1,209 8,217 12,220 1,221 13,227 8,231 10,238 6,241 2,242 6,249 7,252 2304,253 23.739,254 23.739,255 23.739,256 23.739,257 23.739,258 21.355,259 25.586,260 13.926,261 24.118,262 19.23,263 19.23,264 19.23,265 19.23,266 19.23,267 15.604,268 36.576,269 6.567,270 19.85,271 4.567,272 2.868,273 1.729,274 0.956,275 0.688,276 0.629,277 4.292,283 1,284 1072,285 4.123,287 103.872,288 433.96,292 158.915,295 2.212,296 41.814,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 74.5,308 485,309 4.999,310 4.752,311 7.791,312 4.532,313 3.602,314 4.88,315 1.985,316 14.265,317 3.335,318 4.348,319 3.861,320 6.665,321 4.022,322 3.055,323 4.172,324 0.916,325 10.5,326 2.957,327 4.136,328 3.037,329 6.361,330 3.815,331 2.836,332 3.457,333 0.624,334 9.477,335 2.767,336 3.937,337 2.909,338 5.906,339 3.634,340 2.667,341 3.314,342 0.375,343 8.055,344 2.583,345 3.615,346 2.737,347 5.575,348 3.435,349 2.458,350 2.691,351 0.172,352 7.604,353 2.394,354 3.339,355 2.537,356 5.257,357 3.129,358 2.185,359 2.551,361 6.155,362 2.05,363 3.192,364 2.343,365 5.022,366 2.793,367 1.805,368 2.427,370 5.555,371 1.773,372 3.118,373 1.693,374 4.669,375 2.618,376 1.618,377 2.319,379 4.515,380 1.618,381 2.922,382 1.618,383 4.222,384 2.601,385 1.604,386 2.013,388 3.665,389 1.595,390 2.793,391 1.54,392 3.914,393 2.409,394 1.414,395 1.892,397 3.053,398 1.405,399 2.759,400 1.287,401 3.6,402 2.261,403 1.261,404 1.812,406 2.816,407 1.261,408 2.5,409 1.272,410 3.583,411 2,412 1.019,413 1.5,415 2.641,416 1,417 2.244,418 1.221,419 3.488,420 1.984,421 1,422 1.126,424 2.275,425 0.983,426 2.029,427 1.092,428 3.414,429 1.981,430 1,431 1.026,433 2.197,434 0.978,435 2,436 1.077,437 3.273,438 1.864,439 0.897,440 1,442 2.136,443 0.862,444 17.033,445 0.487,446 0.896,447 0.026,448 42.75,449 1.221,450 20.5,451 0.586,452 22.25,453 0.636,454 35.087,455 1.002,456 38.167,457 0.561,458 35.381,459 1.011,460 8.002,461 0.229,462 8.945,463 0.256,464 0.088,465 0.049,466 0.276,472 0.509,473 1.413,474 0.847,475 1.238,476 0.573,477 1.029,478 0.731,479 1.054,480 0.892,481 0.91,482 0.523,483 0.95,484 0.9,485 1.095,486 1.128,487 1.13,488 0.776,489 1.033,490 1.553,491 1.097,492 1.209,493 1.138,494 1.657,495 0.996,496 1.611,497 0.947,498 1.09,499 0.91,500 1.681,501 0.943,502 1.125,503 1.015,504 1.136,505 1.057,506 1.062,507 1.047,508 1.031,509 0.999,510 1.049,511 1.035,512 1.054,513 1.042,514 1.161,515 0.992,516 0.998,517 0.975,518 1.19,519 0.953,520 6.5,521 0.17,522 4.889,523 3.056,524 2.552,525 1.236,526 0.834,527 0.629,528 0.423,529 0.296,530 19240,531 43835,532 2.116,533 48.5,535 25,540 4,541 4,542 1.766,543 1.991,544 3.715,545 -0.794,550 103.367,551 1.52,552 3.219,553 4.359,554 5.131,555 5.4,556 5.459,557 3.223,558 4.651,559 5.097,560 3.9,561 2320.4,562 8.944,563 35974.5,568 413.947,569 1.482,570 5.06,571 0.167,572 0.005,573 0.087,574 0.051,575 0.043,576 0.022,577 0.016,578 0.014,579 0.011,580 0.008,581 0.424,582 0.17,583 0.75,584 0.504,585 189.541,586 0.127,587 -0.211,588 0.207,589 -0.084,590 -0.076,591 0.009,592 0.197,593 0.1,594 0.055,595 0.073,596 0.172,597 0.015,598 0.022,599 -0.014,600 0.005,601 -0.043,602 0.031,603 -0.036,604 -0.097,605 -0.079,606 -0.03,607 -0.078,608 -0.105,609 -0.032,610 -0.006,611 0.042,612 -0.06,613 0.04,614 0.055,615 -0.011,616 -0.086,617 -0.017,618 -0.116,619 -0.062,620 -0.042,621 -0.068,622 -0.058,623 -0.051,624 -0.063,625 -0.057,626 -0.056,627 -0.055,628 -0.065,629 -0.066,630 -0.005,631 -0.022,632 -0.053,633 0.02,634 4.706,635 6.727,636 0.771,637 41.337,638 0.994,639 1.122,640 3.15,641 9.925,642 0.668,643 3.689,644 4.043,645 4.357,646 4.625,647 4.828,648 4.852,649 4.977,650 5.088,651 5.165,652 5.209,653 7.915,654 0.622,655 491.71,656 3.689,657 5.252,658 6.125,659 7.022,660 7.912,661 8.815,662 9.713,663 10.62,664 11.523,665 12.434,666 4.4,669 2,673 1,680 2,681 12,686 2,688 17,703 68,705 20,706 3,707 39,709 72,710 28,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 11,733 3,736 1,737 3,741 1,747 33,748 6,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,805 35,808 1,810 8,814 2,815 3,825 4.4,828 3,832 17.583,833 12.183,834 7.583,835 4.289,836 3.028,837 1.365,838 0.997,839 7.039,840 11.335,841 3.942,842 4.533,843 5.07,844 5.607,845 6.121,846 6.262,847 6.639,848 6.947,849 7.218,850 7.173,851 1,852 60,853 13.416,854 6.165,855 7.698,856 25.629,857 22.289,859 2.198,860 76.917,864 388.446,865 161.067,866 7.767,868 69.458,870 5.807,871 155.259,872 457.904,873 7.767,874 8.396,875 21.685,876 119.522,877 74.163,878 14.525,880 388.446,882 388.446,883 163.026,884 69.458,885 5.807,887 294.278,888 163.627,891 26.328,892 136.698,893 5.807,895 388.446,896 77.225,897 161.067,899 5.807,900 388.446,901 33.148,902 129.879,904 69.458,905 388.446,906 77.225,907 161.067,909 0.588,910 0.357,911 0.195,912 0.103,913 28,914 12,915 0.083,916 6,917 1,918 1.074,919 4.516,920 343.534,921 0.074,922 27,923 167.525,927 1,928 24.15,929 10.202,930 4.918,931 1.585,932 77.225,933 23.307,938 1.586,941 626.738,942 50.5,945 -3.789,946 41.03,950 -0.076,952 67.618,953 76.271,954 0.25,955 0.529,956 0.716,957 0.843,958 0.887,959 0.897,960 5.205,961 1.618,962 6.138,963 5.555,964 4.727,965 5.22,966 2.308,967 7.024,968 4.661,969 6.416,970 1.604,971 7.75,972 4.515,973 4.443,974 5.207,975 1.738,976 8.263,977 4.286,978 7.754,979 1.414,980 9.483,981 3.665,982 6.418,983 7.481,984 3.129,985 11.402,986 6.252,987 9.138,988 1.261,989 11.295,990 3.053,991 7.013,992 8.366,993 3.224,994 13.533,995 6.739,996 10.567,997 1.019,998 13.161,999 2.816,1000 8.479,1001 10.166,1002 4.298,1003 16.293,1004 8.181,1005 12.028,1006 1,1007 15.064,1008 2.641,1009 9.45,1010 11.438,1011 4.681,1012 18.75,1013 9.045,1014 13.516,1015 1,1016 16.997,1017 2.275,1018 10.751,1019 13.08,1020 5.581,1021 21.421,1022 10.3,1023 3.602,1024 0.897,1025 18.951,1026 2.197,1027 11.885,1028 14.52,1029 6.105,1030 24,1031 11.332,1032 3.055,1033 14.265,1034 20.924,1035 2.136,1036 13.14,1037 16.108,1038 6.909,1039 26.654,1040 12.523,1041 2.836,1042 10.5,1043 22.91,1044 4.88,1045 14.344,1046 17.621,1047 7.507,1048 29.278,1049 13.632,1050 2.667,1051 9.477,1052 24.908,1053 4.172,1054 15.594,1055 19.195,1056 8.258,1057 31.931,1058 14.805,1059 2.458,1060 8.055,1061 26.916,1062 3.457,1063 16.831,1064 20.741,1065 8.895,1066 34.574,1067 15.952,1068 2.185,1069 7.604,1070 28.931,1071 3.314,1072 18.086,1073 22.312,1074 9.617,1075 37.228,1076 17.125,1077 1.805,1078 6.155,1079 30.953,1080 2.691,1081 19.341,1082 23.875,1083 10.276,1084 39.879,1085 18.291,1086 17830,1087 27141,1088 26.235,1089 45.449,1090 59.177,1091 60.894,1092 60.622,1093 59.17,1094 59.055,1095 75.083,1096 8.148,1097 175.198,1098 57.318,1099 5.999,1100 6.752,1101 7.593,1102 5.608,1103 5.602,1104 7.88,1105 3.458,1106 22.944,1107 5.335,1108 14.98,1109 1.517,1110 1.561,1111 1.554,1112 1.517,1113 1.514,1114 1.925,1115 0.209,1116 4.492,1117 1.47,1118 4.181,1119 4.177,1120 4.751,1121 4.165,1122 7.715,1123 4.111,1124 3.964,1125 4.011,1126 3.945,1127 3.869,1128 7.427,1129 3.864,1130 3.911,1131 3.942,1132 3.876,1133 3.823,1134 6.999,1135 3.791,1136 3.809,1137 3.854,1138 3.756,1139 3.688,1140 4.878,1141 3.672,1142 3.614,1143 3.611,1144 3.602,1145 3.525,1146 4.755,1147 3.48,1148 3.437,1149 3.511,1150 3.319,1151 3.304,1152 4.353,1153 3.273,1154 3.379,1155 3.402,1156 3.297,1157 3.197,1158 4.317,1159 3.207,1160 3.151,1161 3.223,1162 3.001,1163 2.99,1164 4.209,1165 2.982,1166 0.128,1167 0.122,1168 0.2,1169 0.116,1170 0.092,1171 4.999,1172 0.125,1173 4.752,1174 0.051,1175 7.791,1176 0.366,1177 4.532,1178 0.086,1179 3.602,1180 4.88,1181 1.985,1182 14.265,1183 3.335,1184 2.1,1185 2.098,1186 2.144,1187 2.143,1188 1.425,1189 2.168,1190 1.929,1191 1.893,1192 2.08,1193 2.068,1194 1.343,1195 2.075,1196 1.82,1197 1.77,1198 1.995,1199 1.96,1200 1.218,1201 1.973,1202 1.675,1203 1.683,1204 1.857,1205 1.833,1206 1.14,1207 1.853,1208 1.602,1209 1.548,1210 1.71,1211 1.771,1212 1.045,1213 1.805,1214 1.454,1215 1.403,1216 1.655,1217 1.626,1218 0.825,1219 1.649,1220 1.342,1221 1.288,1222 1.568,1223 1.547,1224 0.783,1225 1.573,1226 1.175,1227 1.129,1228 1.513,1229 1.376,1230 0.717,1231 1.429,1232 4.369,1233 5.714,1234 2.398,1235 7.265,1236 4.595,1237 8.907,1238 6.629,1239 10.598,1241 1.848,1247 6.232,1251 -0.497,1252 5.691,1257 42.298,1258 103.367,1259 218.915,1260 296.399,1261 348.928,1262 367.193,1263 371.193,1264 81.844,1265 8.307,1266 60.93,1267 69.31,1268 29,1269 12.95,1270 4.392,1271 3.644,1272 52.367,1273 164,1274 191,1275 0.152,1276 259.545,1277 452.58,1278 625.05,1279 57048,1281 24.416,1282 0.698,1283 0.601,1284 24.666,1285 21.031,1286 16.948,1287 0.435,1288 0.357,1289 12.472,1290 15.726,1291 12.058,1292 9.943,1293 17.736,1294 13.915,1295 15.507,1296 0.277,1297 0.206,1298 16.789,1299 11.552,1300 13.587,1301 0.176,1302 0.123,1303 14.901,1304 9.493,1305 11.342,1306 0.112,1307 0.073,1308 12.733,1309 7.41,1310 9.017,1311 0.073,1312 0.043,1313 10.341,1314 5.316,1315 0.242,1316 112.899,1317 0.195,1318 32.344,1319 0.411,1320 190,1321 487.002,1322 243.653,1323 493.909,1324 676.16,1325 458,1326 228,1327 468.952,1328 294.252,1329 514.738,1330 758.54,1331 484,1332 4.585}
{0 CHEMBL246787,1 1.591,2 14.5,3 2.686,4 7.217,5 132.928,6 7.479,7 0.447,8 4.254,9 4.366,10 3.956,11 3.84,12 5.233,13 3.788,14 4.851,15 5.022,16 4.284,17 4.271,18 5.964,19 4.193,20 5.169,21 5.383,22 4.369,23 4.454,24 6.135,25 4.327,26 5.269,27 5.502,28 4.341,29 4.398,30 6.324,31 4.287,32 5.175,33 5.389,34 4.252,35 4.326,36 6.418,37 4.223,38 5.128,39 5.357,40 4.181,41 4.331,42 6.123,43 4.202,44 5.167,45 5.415,46 4.093,47 4.312,48 6.103,49 4.165,50 5.096,51 5.35,52 3.936,53 4.187,54 6.058,55 4.041,56 0.075,57 0.975,58 16.506,59 6.379,60 15.889,61 8.118,62 0.408,63 1.649,64 28.423,65 10.725,66 55.979,67 14.218,68 0.37,69 2.124,70 46.071,71 16.276,72 57.72,73 20.69,74 0.65,75 2.153,76 53.505,77 16.758,78 100.345,79 21.166,80 0.857,81 1.921,82 44.976,83 14.842,84 165.333,85 18.833,86 0.439,87 1.934,88 42.888,89 14.804,90 78.942,91 19.326,92 0.463,93 1.963,94 46.732,95 15.719,96 76.345,97 20.533,98 0.513,99 1.764,100 43.6,101 14.303,102 86.862,103 18.93,104 10,105 54,106 0.252,107 0.553,108 0.736,109 0.85,110 0.861,111 0.871,112 3.56,113 1.055,114 -3.22,115 -3.21,116 -3.08,119 40.6,121 4,125 4,127 2,138 9,139 3,140 1,141 2,151 1,163 12,165 3,166 7,169 1,171 2,172 14,175 1,176 9,179 1,181 1,183 10,186 1,187 14,190 1,192 1,194 6,197 2,198 8,201 2,205 9,208 1,209 10,214 3,217 8,220 1,221 10,226 3,227 4,231 4,234 1,236 3,238 8,241 2,242 4,247 2,249 7,252 2220,253 23.134,254 23.134,255 23.134,256 23.134,257 23.134,258 20.746,259 24.96,260 13.661,261 23.538,262 18.785,263 18.785,264 18.785,265 18.785,266 18.785,267 15.154,268 36.546,269 6.507,270 19.444,271 4.409,272 2.506,273 1.356,274 0.637,275 0.562,276 0.5,277 4.267,283 1,284 1094,285 3.873,287 102.263,288 432.556,292 161.945,295 2.294,296 42.561,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 73,308 493,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.897,322 2.908,323 4.25,324 0.916,325 9.495,326 2.88,327 3.997,328 3.02,329 6.136,330 3.753,331 2.779,332 3.457,333 0.465,334 8.963,335 2.694,336 3.935,337 2.868,338 5.625,339 3.64,340 2.677,341 3.166,342 0.172,343 7.792,344 2.575,345 3.572,346 2.683,347 5.444,348 3.41,349 2.435,350 2.651,351 0.132,352 7.061,353 2.37,354 3.305,355 2.546,356 5.204,357 3.037,358 2.098,359 2.558,361 6.01,362 1.963,363 3.144,364 2.241,365 4.947,366 2.807,367 1.82,368 2.427,370 5.491,371 1.784,372 3.118,373 1.698,374 4.466,375 2.618,376 1.618,377 2.23,379 4.407,380 1.618,381 2.926,382 1.618,383 4.334,384 2.577,385 1.577,386 2.043,388 3.998,389 1.572,390 2.828,391 1.519,392 3.727,393 2.374,394 1.413,395 1.941,397 3.038,398 1.356,399 2.778,400 1.396,401 3.601,402 2.333,403 1.336,404 1.797,406 2.962,407 1.331,408 2.5,409 1.21,410 3.584,411 1.984,412 1,413 1.5,415 2.275,416 0.983,417 2.16,418 1.077,419 3.414,420 1.956,421 1,422 1.002,424 2.155,425 0.954,426 2,427 1,428 3.397,429 1.811,430 0.838,431 1,433 2.136,434 0.812,435 1.936,436 0.982,437 3.247,438 1.755,439 0.777,440 0.868,442 1.984,443 0.755,444 16.433,445 0.483,446 0.841,447 0.025,448 42.5,449 1.25,450 20.5,451 0.603,452 22,453 0.647,454 31.91,455 0.939,456 36.967,457 0.578,458 33.66,459 0.99,460 7.897,461 0.232,462 8.606,463 0.253,464 0.061,465 0.051,466 0.262,472 0.543,473 1.402,474 0.828,475 1.226,476 0.574,477 1,478 0.706,479 1.111,480 0.894,481 0.955,482 0.523,483 0.991,484 0.911,485 1.11,486 1.184,487 1.175,488 0.789,489 1.068,490 1.459,491 0.943,492 1.143,493 1.037,494 1.577,495 0.936,496 1.518,497 0.948,498 1.064,499 0.914,500 1.681,501 0.961,502 1.135,503 1.058,504 1.09,505 1.052,506 1.095,507 1.045,508 1.109,509 0.988,510 1.142,511 1.069,512 1.063,513 1.026,514 1.256,515 0.965,516 1.089,517 1.016,518 1.349,519 1.002,520 7,521 0.199,522 4.222,523 2.306,524 2.384,525 1.038,526 0.799,527 0.594,528 0.315,529 0.224,530 18965,531 46038,532 2.138,533 46.9,535 19,537 2,538 1,540 4,541 4,542 1.757,543 2.03,544 3.789,545 -0.363,550 101.827,551 1.591,552 3.494,553 4.644,554 5.363,555 5.438,556 5.5,557 3.268,558 4.735,559 5.055,560 3.965,561 2224.49,562 8.848,563 34641.5,568 384,569 1.396,570 5.027,571 0.184,572 0.007,573 0.078,574 0.042,575 0.046,576 0.021,577 0.017,578 0.014,579 0.009,580 0.007,581 0.425,582 0.33,583 0.75,584 0.459,585 184.184,586 0.096,587 -0.189,588 0.202,589 -0.074,590 -0.071,591 0.018,592 0.177,593 0.035,594 0.029,595 0.031,596 0.177,597 -0.031,598 -0.01,599 -0.048,600 -0.052,601 -0.083,602 0.021,603 -0.07,604 -0.105,605 0.039,606 -0.011,607 -0.012,608 -0.13,609 0.026,610 0.006,611 0.013,612 -0.052,613 0.044,614 0.049,615 -0.019,616 -0.084,617 -0.058,618 -0.073,619 -0.056,620 -0.041,621 -0.069,622 -0.088,623 -0.016,624 -0.084,625 -0.058,626 -0.045,627 -0.04,628 -0.109,629 -0.041,630 -0.074,631 -0.042,632 -0.114,633 -0.022,634 4.667,635 6.436,636 0.794,637 42.069,638 0.999,639 1.124,640 1.992,641 3.967,642 0.671,643 3.664,644 4.007,645 4.29,646 4.543,647 4.754,648 4.771,649 4.905,650 5.03,651 5.124,652 5.159,653 8.213,654 0.629,655 478.67,656 3.664,657 5.22,658 6.08,659 6.967,660 7.843,661 8.735,662 9.619,663 10.514,664 11.404,665 12.302,666 6.3,669 2,673 1,676 1,680 2,681 11,682 1,686 2,688 17,703 64,705 20,706 2,707 38,709 68,710 26,711 15,712 3,713 7,717 5,718 6,724 6,727 6,729 16,730 10,733 3,736 1,737 3,741 1,747 30,748 7,749 1,750 8,751 1,755 4,760 0.8,761 3,770 1,773 1,775 1,776 4,780 1,783 1,792 1,796 4,799 1,805 34,808 1,810 8,811 1,814 2,815 2,825 4.7,828 3,832 16.75,833 11.1,834 7.333,835 4.022,836 3.01,837 1.364,838 1.004,839 6.757,840 11.287,841 3.922,842 4.511,843 5.024,844 5.536,845 6.073,846 6.278,847 6.662,848 6.957,849 7.281,850 7.166,851 0.9,852 55,853 13.004,854 5.99,855 7.748,856 24.718,857 21.479,859 2.248,860 76.417,864 341.362,865 142.336,866 39.439,868 69.458,870 5.807,871 136.529,872 410.82,873 39.439,875 36.572,876 91.094,877 114.49,878 32.62,880 317.82,882 341.362,883 175.968,884 69.458,885 5.807,887 247.193,888 163.627,891 59.309,892 99.873,893 22.593,895 341.362,896 108.897,897 142.336,899 5.807,900 341.362,901 33.148,902 108.024,903 18.011,904 86.243,905 341.362,906 108.897,907 142.336,909 0.586,910 0.346,911 0.186,912 0.1,913 27,914 11,915 0.088,916 6,917 1,918 1.074,919 4.565,920 322.091,921 0.074,922 27,923 166.974,927 1,928 23.134,929 9.931,930 5.088,931 1.869,932 108.897,933 20.547,934 4.175,938 1.431,940 18.011,941 592.595,942 49.5,945 -3.75,946 40.02,950 -0.174,952 63.952,953 71.939,954 0.265,955 0.582,956 0.774,957 0.894,958 0.906,959 0.917,960 5.178,961 1.618,962 6.084,963 5.491,964 4.691,965 5.198,966 2.242,967 6.94,968 4.622,969 6.384,970 1.577,971 7.676,972 4.407,973 4.369,974 5.173,975 1.668,976 8.138,977 4.224,978 7.716,979 1.413,980 9.387,981 3.998,982 6.358,983 7.453,984 3.075,985 11.244,986 6.192,987 9.093,988 1.336,989 11.179,990 3.038,991 6.909,992 8.316,993 3.135,994 13.363,995 6.644,996 10.514,997 1,998 13.028,999 2.962,1000 8.384,1001 10.119,1002 4.217,1003 16.097,1004 8.089,1005 11.968,1006 1,1007 14.919,1008 2.275,1009 9.324,1010 11.368,1011 4.564,1012 18.553,1013 8.924,1014 13.447,1015 0.838,1016 16.842,1017 2.155,1018 10.625,1019 13.005,1020 5.468,1021 21.207,1022 10.175,1023 3.565,1024 0.777,1025 18.79,1026 2.136,1027 11.739,1028 14.421,1029 5.961,1030 23.779,1031 11.186,1032 2.908,1033 13.976,1034 20.759,1035 1.984,1036 12.991,1037 15.998,1038 6.764,1039 26.417,1040 12.368,1041 2.779,1042 9.495,1043 22.743,1044 4.791,1045 14.183,1046 17.488,1047 7.335,1048 29.031,1049 13.462,1050 2.677,1051 8.963,1052 24.74,1053 4.25,1054 15.427,1055 19.045,1056 8.08,1057 31.666,1058 14.625,1059 2.435,1060 7.792,1061 26.747,1062 3.457,1063 16.656,1064 20.568,1065 8.695,1066 34.295,1067 15.759,1068 2.098,1069 7.061,1070 28.762,1071 3.166,1072 17.905,1073 22.12,1074 9.407,1075 36.931,1076 16.922,1077 1.82,1078 6.01,1079 30.783,1080 2.651,1081 19.152,1082 23.659,1083 10.046,1084 39.564,1085 18.076,1086 17458,1087 27397,1088 25.83,1089 42.932,1090 57.222,1091 58.818,1092 57.927,1093 57.422,1094 57.373,1095 73.433,1096 7.282,1097 167.532,1098 55.553,1099 5.958,1100 6.734,1101 7.537,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 12.842,1109 1.506,1110 1.548,1111 1.524,1112 1.511,1113 1.51,1114 1.932,1115 0.192,1116 4.409,1117 1.462,1118 4.167,1119 4.165,1120 4.746,1121 4.146,1122 7.715,1123 4.095,1124 3.956,1125 4.003,1126 3.968,1127 3.862,1128 7.428,1129 3.832,1130 3.917,1131 3.948,1132 3.859,1133 3.808,1134 6.999,1135 3.795,1136 3.791,1137 3.84,1138 3.732,1139 3.663,1140 4.905,1141 3.654,1142 3.641,1143 3.643,1144 3.602,1145 3.547,1146 4.877,1147 3.512,1148 3.357,1149 3.426,1150 3.259,1151 3.194,1152 4.365,1153 3.16,1154 3.28,1155 3.297,1156 3.228,1157 3.109,1158 4.28,1159 3.122,1160 3.132,1161 3.206,1162 2.991,1163 2.95,1164 4.201,1165 2.952,1166 0.13,1167 0.125,1168 0.204,1169 0.118,1170 0.094,1171 4.958,1172 0.126,1173 4.734,1174 0.051,1175 7.735,1176 0.368,1177 4.494,1178 0.087,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.412,1189 2.161,1190 1.892,1191 1.844,1192 2.061,1193 2.06,1194 1.324,1195 2.065,1196 1.786,1197 1.755,1198 1.94,1199 1.94,1200 1.216,1201 1.943,1202 1.713,1203 1.713,1204 1.855,1205 1.847,1206 1.076,1207 1.877,1208 1.601,1209 1.545,1210 1.691,1211 1.772,1212 1.055,1213 1.803,1214 1.417,1215 1.363,1216 1.608,1217 1.593,1218 0.825,1219 1.605,1220 1.232,1221 1.18,1222 1.513,1223 1.463,1224 0.754,1225 1.476,1226 1.153,1227 1.09,1228 1.473,1229 1.376,1230 0.673,1231 1.429,1232 4.344,1233 5.68,1234 2.398,1235 7.216,1236 4.595,1237 8.839,1238 6.629,1239 10.509,1247 5.97,1248 3.144,1251 -0.576,1252 3.76,1257 40.265,1258 101.827,1259 223.603,1260 297.206,1261 343.245,1262 348,1263 352,1264 76.386,1265 8.277,1266 82.61,1267 90.99,1268 29,1269 12.827,1270 4.392,1271 3.644,1272 50.255,1273 165,1274 184,1275 0.144,1276 247.155,1277 428.98,1278 594.817,1279 56056,1281 23.545,1282 0.693,1283 0.587,1284 23.795,1285 19.954,1286 16.503,1287 0.434,1288 0.352,1289 11.921,1290 15.227,1291 11.582,1292 9.522,1293 17.292,1294 13.369,1295 15.177,1296 0.281,1297 0.205,1298 16.477,1299 11.094,1300 12.911,1301 0.179,1302 0.122,1303 14.225,1304 8.801,1305 10.743,1306 0.116,1307 0.072,1308 11.986,1309 6.728,1310 8.664,1311 0.075,1312 0.042,1313 9.87,1314 4.883,1315 0.231,1316 110.519,1317 0.197,1318 31.906,1319 0.38,1320 184,1321 495.335,1322 238.68,1323 500.777,1324 681.34,1325 464,1326 218,1327 469.219,1328 282.916,1329 513.522,1330 752.37,1331 483,1332 5}
{0 CHEMBL246986,1 1.503,2 15.167,3 4.364,4 19.046,5 144.737,6 7.123,7 0.425,8 4.341,9 4.456,10 3.998,11 3.931,12 5.281,13 3.867,14 4.948,15 5.128,16 4.329,17 4.362,18 5.998,19 4.274,20 5.264,21 5.482,22 4.438,23 4.562,24 6.195,25 4.429,26 5.389,27 5.613,28 4.415,29 4.543,30 6.414,31 4.417,32 5.387,33 5.633,34 4.35,35 4.495,36 6.497,37 4.361,38 5.308,39 5.553,40 4.296,41 4.496,42 6.235,43 4.347,44 5.344,45 5.594,46 4.211,47 4.488,48 6.273,49 4.333,50 5.285,51 5.542,52 4.058,53 4.399,54 6.178,55 4.231,56 0.096,57 1.039,58 18.993,59 7.324,60 15.255,61 9.574,62 0.465,63 1.785,64 32.896,65 12.224,66 55.255,67 16.582,68 0.406,69 2.322,70 50.719,71 18.257,72 52.801,73 23.65,74 0.633,75 2.429,76 58.768,77 19.457,78 99.181,79 24.959,80 0.95,81 2.359,82 55.943,83 18.517,84 163.528,85 24.622,86 0.483,87 2.302,88 53.873,89 18.622,90 77.514,91 24.478,92 0.586,93 2.305,94 54.915,95 18.937,96 89.437,97 24.902,98 0.483,99 2.137,100 50.857,101 17.863,102 82.875,103 24.13,104 17,105 57,106 0.234,107 0.496,108 0.684,109 0.818,110 0.845,111 0.853,112 3.615,113 1.081,114 -4.58,115 -4.5,116 -4.23,119 40.8,121 5,124 1,125 4,127 2,138 12,139 3,140 1,151 1,163 17,165 4,166 7,172 21,175 2,176 9,183 15,186 1,187 16,194 7,197 4,198 10,205 9,208 1,209 12,217 10,220 1,221 13,227 8,231 8,238 10,241 2,242 8,249 7,252 2596,253 24.393,254 24.393,255 24.393,256 24.393,257 24.393,258 22.03,259 25.263,260 14.298,261 24.792,262 19.709,263 19.709,264 19.709,265 19.709,266 19.709,267 16.082,268 33.179,269 6.758,270 20.347,271 4.647,272 2.959,273 1.748,274 0.889,275 0.715,276 0.659,277 4.319,283 1,284 1205,285 4.243,287 110.837,288 470.246,292 174.824,295 2.463,296 41.366,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 76.5,308 546,309 4.959,310 4.734,311 7.736,312 4.498,313 3.569,314 4.791,315 1.985,316 13.987,317 3.302,318 4.356,319 3.86,320 6.603,321 3.991,322 3.029,323 4.25,324 0.8,325 10.239,326 2.919,327 4.153,328 2.964,329 6.182,330 3.84,331 2.849,332 3.445,333 0.624,334 9.146,335 2.807,336 3.904,337 2.869,338 5.981,339 3.591,340 2.626,341 3.32,342 0.375,343 8.21,344 2.548,345 3.651,346 2.766,347 5.435,348 3.489,349 2.505,350 2.717,352 7.16,353 2.447,354 3.388,355 2.64,356 5.309,357 3.23,358 2.299,359 2.569,361 6.689,362 2.131,363 3.207,364 2.456,365 5.177,366 2.824,367 1.836,368 2.427,370 5.645,371 1.803,372 3.118,373 1.699,374 4.598,375 2.618,376 1.618,377 2.323,379 4.497,380 1.618,381 2.939,382 1.618,383 4.408,384 2.606,385 1.61,386 2.081,388 4.19,389 1.601,390 2.878,391 1.595,392 3.956,393 2.487,394 1.49,395 2.01,397 3.155,398 1.484,399 2.809,400 1.396,401 3.639,402 2.337,403 1.34,404 1.835,406 2.978,407 1.334,408 2.5,409 1.321,410 3.612,411 2.011,412 1.047,413 1.5,415 2.649,416 1.006,417 2.16,418 1.205,419 3.476,420 2,421 1,422 1.06,424 2.275,425 1,426 2.069,427 1.077,428 3.414,429 1.984,430 1,431 1.002,433 2.136,434 0.983,435 2,436 1,437 3.247,438 1.793,439 0.827,440 1,442 2.103,443 0.796,444 17.533,445 0.487,446 0.913,447 0.025,448 43.25,449 1.201,450 20.5,451 0.569,452 22.75,453 0.632,454 36.774,455 1.021,456 39.467,457 0.556,458 35.292,459 0.98,460 8.011,461 0.223,462 9.42,463 0.262,464 0.086,465 0.048,466 0.268,472 0.512,473 1.416,474 0.859,475 1.244,476 0.574,477 1.043,478 0.73,479 1.068,480 0.903,481 0.929,482 0.52,483 0.969,484 0.92,485 1.081,486 1.162,487 1.141,488 0.761,489 1.042,490 1.553,491 1.104,492 1.187,493 1.133,494 1.697,495 1.048,496 1.423,497 0.895,498 0.963,499 0.828,500 1.495,501 0.891,502 1.056,503 1.055,504 1.142,505 1.09,506 0.941,507 1.001,508 1.321,509 0.942,510 1.14,511 1.005,512 1.32,513 0.995,514 1.153,515 1.057,516 1.062,517 1.058,518 1.241,519 1.051,520 7,521 0.239,522 5.111,523 2.431,524 2.494,525 1.514,526 0.803,527 0.656,528 0.421,529 0.304,530 21875,531 48872,532 2.113,533 49.3,535 25,540 6,541 4,542 1.771,543 1.991,544 3.848,545 -0.799,550 106.716,551 1.503,552 3.191,553 4.401,554 5.261,555 5.435,556 5.491,557 3.385,558 4.705,559 5.135,560 4.03,561 2538.98,562 9.014,563 41229.2,568 436.632,569 1.463,570 5.103,571 0.175,572 0.007,573 0.09,574 0.041,575 0.045,576 0.029,577 0.015,578 0.014,579 0.01,580 0.008,581 0.433,582 0.17,583 0.75,584 0.496,585 198.509,586 0.129,587 -0.205,588 0.205,589 -0.079,590 -0.074,591 0.01,592 0.201,593 0.087,594 0.052,595 0.062,596 0.175,597 0.007,598 0.012,600 -0.03,601 -0.058,602 0.046,603 -0.043,604 -0.11,605 -0.106,606 -0.075,607 -0.11,608 -0.137,609 -0.086,610 0.052,611 0.07,612 0.038,613 0.102,614 0.074,615 0.047,616 -0.023,617 -0.04,618 -0.037,619 -0.051,620 0.038,621 -0.016,622 -0.129,623 0.035,624 -0.096,625 -0.014,626 -0.09,627 -0.025,628 -0.086,629 -0.119,630 -0.084,631 -0.09,632 -0.1,633 -0.071,634 4.67,635 6.572,636 0.75,637 48.074,638 0.993,639 1.122,640 3.346,641 11.195,642 0.665,643 3.714,644 4.06,645 4.357,646 4.585,647 4.796,648 4.844,649 4.949,650 5.05,651 5.182,652 5.22,653 8.557,654 0.617,655 505.74,656 3.714,657 5.273,658 6.138,659 7.024,660 7.905,661 8.797,662 9.686,663 10.582,664 11.476,665 12.377,666 4.2,669 2,673 1,680 2,681 12,686 2,688 17,703 71,705 20,706 3,707 40,709 75,710 29,711 16,712 4,713 12,717 5,718 6,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 35,748 6,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,805 36,808 1,810 9,814 2,815 3,825 4.2,828 3,832 18.083,833 12.683,834 7.806,835 4.532,836 2.964,837 1.355,838 0.993,839 7.546,840 11.317,841 3.961,842 4.543,843 5.063,844 5.548,845 6.078,846 6.29,847 6.658,848 6.945,849 7.286,850 7.18,851 1,852 60,853 13.779,854 6.287,855 7.678,856 26.446,857 22.951,859 2.178,860 78.417,864 411.989,865 163.601,866 7.767,868 69.458,870 5.807,871 157.794,872 481.446,873 7.767,874 8.396,875 24.22,876 119.522,877 74.163,878 14.525,880 411.989,882 411.989,883 165.561,884 69.458,885 5.807,887 294.278,888 187.169,891 28.863,892 136.698,893 5.807,895 411.989,896 77.225,897 163.601,899 5.807,900 411.989,901 35.682,902 129.879,904 69.458,905 411.989,906 77.225,907 163.601,909 0.588,910 0.353,911 0.183,912 0.097,913 28,914 12,915 0.093,916 7,917 1,918 1.074,919 4.685,920 348.427,921 0.074,922 27,923 176.117,927 1,928 25.106,929 10.821,930 5.431,931 1.886,932 77.225,933 23.48,938 1.608,941 652.815,942 51.5,945 -3.753,946 40.688,950 -0.07,952 70.501,953 79.686,954 0.244,955 0.519,956 0.716,957 0.855,958 0.884,959 0.893,960 5.222,961 1.618,962 6.146,963 5.645,964 4.745,965 5.231,966 2.253,967 7.011,968 4.679,969 6.427,970 1.61,971 7.748,972 4.497,973 4.443,974 5.207,975 1.738,976 8.22,977 4.286,978 7.76,979 1.49,980 9.47,981 4.19,982 6.422,983 7.477,984 3.107,985 11.33,986 6.259,987 9.138,988 1.34,989 11.27,990 3.155,991 6.995,992 8.342,993 3.217,994 13.438,995 6.723,996 10.56,997 1.047,998 13.123,999 2.978,1000 8.459,1001 10.137,1002 4.292,1003 16.171,1004 8.168,1005 12.014,1006 1,1007 15.015,1008 2.649,1009 9.41,1010 11.384,1011 4.678,1012 18.61,1013 9.01,1014 13.492,1015 1,1016 16.937,1017 2.275,1018 10.704,1019 13.016,1020 5.58,1021 21.259,1022 10.261,1023 3.569,1024 0.827,1025 18.882,1026 2.136,1027 11.821,1028 14.431,1029 6.104,1030 23.82,1031 11.274,1032 3.029,1033 13.987,1034 20.845,1035 2.103,1036 13.067,1037 16.005,1038 6.909,1039 26.453,1040 12.457,1041 2.849,1042 10.239,1043 22.823,1044 4.791,1045 14.257,1046 17.494,1047 7.507,1048 29.06,1049 13.551,1050 2.626,1051 9.146,1052 24.814,1053 4.25,1054 15.497,1055 19.049,1056 8.258,1057 31.692,1058 14.714,1059 2.505,1060 8.21,1061 26.814,1062 3.445,1063 16.722,1064 20.571,1065 8.895,1066 34.317,1067 15.846,1068 2.299,1069 7.16,1070 28.823,1071 3.32,1072 17.967,1073 22.122,1074 9.617,1075 36.951,1076 17.008,1077 1.836,1078 6.689,1079 30.838,1080 2.717,1081 19.21,1082 23.661,1083 10.276,1084 39.583,1085 18.161,1086 20245,1087 30515,1088 26.929,1089 47.211,1090 60.603,1091 62.238,1092 61.7,1093 60.717,1094 60.584,1095 76.637,1096 7.57,1097 177.878,1098 58.83,1099 5.959,1100 6.734,1101 7.538,1102 5.572,1103 5.569,1104 7.791,1105 3.458,1106 22.436,1107 5.302,1108 15.421,1109 1.515,1110 1.556,1111 1.543,1112 1.518,1113 1.515,1114 1.916,1115 0.189,1116 4.447,1117 1.471,1118 4.168,1119 4.167,1120 4.747,1121 4.147,1122 7.715,1123 4.096,1124 3.964,1125 4.01,1126 3.969,1127 3.873,1128 7.427,1129 3.865,1130 3.927,1131 3.954,1132 3.868,1133 3.858,1134 6.999,1135 3.817,1136 3.839,1137 3.883,1138 3.776,1139 3.712,1140 4.886,1141 3.699,1142 3.65,1143 3.653,1144 3.619,1145 3.552,1146 4.752,1147 3.518,1148 3.475,1149 3.549,1150 3.343,1151 3.279,1152 4.368,1153 3.281,1154 3.291,1155 3.359,1156 3.244,1157 3.192,1158 4.281,1159 3.151,1160 3.276,1161 3.297,1162 3.119,1163 3.1,1164 4.203,1165 3.098,1166 0.124,1167 0.118,1168 0.193,1169 0.112,1170 0.089,1171 4.959,1172 0.12,1173 4.734,1174 0.05,1175 7.736,1176 0.35,1177 4.498,1178 0.083,1179 3.569,1180 4.791,1181 1.985,1182 13.987,1183 3.302,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.43,1189 2.162,1190 1.93,1191 1.895,1192 2.083,1193 2.065,1194 1.324,1195 2.073,1196 1.839,1197 1.789,1198 2.017,1199 1.981,1200 1.225,1201 1.996,1202 1.717,1203 1.73,1204 1.858,1205 1.859,1206 1.204,1207 1.883,1208 1.609,1209 1.555,1210 1.731,1211 1.781,1212 1.068,1213 1.811,1214 1.458,1215 1.393,1216 1.662,1217 1.659,1218 0.898,1219 1.683,1220 1.379,1221 1.319,1222 1.614,1223 1.547,1224 0.825,1225 1.574,1226 1.24,1227 1.183,1228 1.545,1229 1.468,1230 0.763,1231 1.504,1232 4.394,1233 5.733,1234 2.398,1235 7.274,1236 4.595,1237 8.902,1238 6.629,1239 10.575,1241 1.853,1247 7.469,1251 -0.473,1252 5.728,1257 43.824,1258 106.716,1259 226.551,1260 312.493,1261 373.513,1262 385.877,1263 389.877,1264 84.193,1265 8.353,1266 60.93,1267 69.31,1268 29,1269 12.9,1270 4.392,1271 3.644,1272 54.726,1273 182,1274 210,1275 0.143,1276 269.137,1277 469.88,1278 648.455,1279 61902,1281 25.123,1282 0.698,1283 0.604,1284 25.373,1285 21.738,1286 17.431,1287 0.436,1288 0.36,1289 12.966,1290 16.191,1291 12.545,1292 10.337,1293 18.219,1294 14.409,1295 15.918,1296 0.279,1297 0.209,1298 17.218,1299 11.931,1300 13.965,1301 0.181,1302 0.126,1303 15.279,1304 9.732,1305 11.163,1306 0.115,1307 0.075,1308 12.4,1309 7.302,1310 8.865,1311 0.074,1312 0.044,1313 10.079,1314 5.283,1315 0.229,1316 115.798,1317 0.193,1318 33.441,1319 0.377,1320 194,1321 491.002,1322 247.653,1323 498,1324 681.22,1325 462,1326 231,1327 471.952,1328 295.415,1329 517.405,1330 759.73,1331 487,1332 6.229}
{0 CHEMBL247976,1 1.538,2 14.5,3 3.837,4 14.723,5 135.085,6 7.349,7 0.447,8 4.262,9 4.374,10 3.952,11 3.864,12 5.222,13 3.805,14 4.861,15 5.029,16 4.282,17 4.295,18 5.96,19 4.21,20 5.187,21 5.403,22 4.367,23 4.477,24 6.137,25 4.343,26 5.28,27 5.512,28 4.34,29 4.417,30 6.323,31 4.3,32 5.194,33 5.413,34 4.249,35 4.345,36 6.421,37 4.236,38 5.134,39 5.359,40 4.177,41 4.358,42 6.114,43 4.221,44 5.193,45 5.443,46 4.092,47 4.342,48 6.107,49 4.185,50 5.122,51 5.379,52 3.934,53 4.207,54 6.062,55 4.055,56 0.089,57 0.957,58 17.046,59 6.645,60 15.228,61 8.483,62 0.41,63 1.643,64 29.091,65 11.25,66 55.281,67 14.906,68 0.382,69 2.157,70 47.119,71 16.913,72 56.009,73 21.526,74 0.602,75 2.194,76 53.882,77 17.331,78 95.317,79 21.876,80 0.875,81 1.968,82 46.153,83 15.32,84 164.31,85 19.482,86 0.409,87 1.945,88 42.976,89 15.527,90 74.463,91 20.149,92 0.44,93 2.019,94 47.794,95 16.7,96 72.289,97 21.776,98 0.483,99 1.821,100 44.605,101 14.871,102 83.732,103 19.706,104 10,105 54,106 0.243,107 0.519,108 0.682,109 0.814,110 0.844,111 0.854,112 3.56,113 1.067,114 -4.18,115 -4.12,116 -3.9,119 41.5,121 4,125 4,127 2,138 12,139 3,140 1,151 1,163 16,165 3,166 5,169 1,171 2,172 19,175 1,176 9,179 1,181 1,183 13,187 15,190 1,192 1,194 6,197 2,198 9,201 2,205 11,208 1,209 8,214 3,217 10,220 1,221 10,226 4,227 6,231 4,236 4,238 8,241 2,242 5,247 3,249 7,252 2220,253 23.134,254 23.134,255 23.134,256 23.134,257 23.134,258 20.746,259 24.96,260 13.661,261 23.473,262 18.785,263 18.785,264 18.785,265 18.785,266 18.785,267 15.154,268 36.546,269 6.507,270 19.349,271 4.484,272 2.736,273 1.706,274 0.867,275 0.677,276 0.615,277 4.267,283 1,284 1094,285 3.873,287 102.263,288 432.556,292 161.945,295 2.294,296 41.033,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 72.5,308 493,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.897,322 2.908,323 4.25,324 0.916,325 9.495,326 2.88,327 3.997,328 3.02,329 6.136,330 3.754,331 2.779,332 3.457,333 0.465,334 8.963,335 2.695,336 3.935,337 2.868,338 5.625,339 3.643,340 2.677,341 3.166,342 0.172,343 7.792,344 2.588,345 3.572,346 2.683,347 5.444,348 3.415,349 2.435,350 2.651,351 0.132,352 7.061,353 2.379,354 3.305,355 2.546,356 5.204,357 3.042,358 2.098,359 2.558,361 6.01,362 1.972,363 3.144,364 2.241,365 4.947,366 2.809,367 1.82,368 2.427,370 5.491,371 1.788,372 3.118,373 1.698,374 4.466,375 2.618,376 1.618,377 2.23,379 4.407,380 1.618,381 2.926,382 1.618,383 4.334,384 2.578,385 1.577,386 2.043,388 3.998,389 1.574,390 2.828,391 1.519,392 3.727,393 2.406,394 1.413,395 1.941,397 3.038,398 1.402,399 2.778,400 1.396,401 3.601,402 2.334,403 1.336,404 1.797,406 2.962,407 1.332,408 2.5,409 1.21,410 3.584,411 2,412 1,413 1.5,415 2.275,416 1,417 2.16,418 1.077,419 3.414,420 1.984,421 1,422 1.002,424 2.155,425 0.983,426 2,427 1,428 3.397,429 1.811,430 0.838,431 1,433 2.136,434 0.812,435 1.936,436 0.982,437 3.247,438 1.755,439 0.777,440 0.868,442 1.984,443 0.755,444 16.533,445 0.486,446 0.841,447 0.025,448 42,449 1.235,450 20.5,451 0.603,452 21.5,453 0.632,454 32.215,455 0.948,456 36.867,457 0.567,458 33.355,459 0.981,460 7.817,461 0.23,462 8.687,463 0.255,464 0.06,465 0.05,466 0.26,472 0.524,473 1.339,474 0.842,475 1.199,476 0.577,477 0.995,478 0.672,479 1.116,480 0.901,481 0.971,482 0.513,483 1.008,484 0.915,485 1.1,486 1.18,487 1.156,488 0.786,489 1.055,490 1.493,491 1.01,492 1.141,493 1.054,494 1.583,495 0.948,496 1.575,497 0.91,498 1.06,499 0.875,500 1.684,501 0.928,502 1.109,503 1.085,504 1.09,505 1.077,506 1.084,507 1.067,508 1.071,509 1.011,510 1.118,511 1.071,512 1.033,513 1.025,514 1.289,515 0.999,516 1.072,517 0.997,518 1.341,519 0.978,520 7,521 0.199,522 4.222,523 2.306,524 2.384,525 1.038,526 0.799,527 0.594,528 0.315,529 0.224,530 18965,531 43758,532 2.138,533 47.7,535 22,538 1,540 4,541 4,542 1.757,543 2.03,544 3.789,545 -0.392,550 99.982,551 1.538,552 3.286,553 4.316,554 5.155,555 5.345,556 5.407,557 3.268,558 4.735,559 5.055,560 3.965,561 2224.49,562 8.848,563 34641.5,568 391.454,569 1.396,570 5.027,571 0.184,572 0.007,573 0.078,574 0.042,575 0.046,576 0.021,577 0.017,578 0.014,579 0.009,580 0.007,581 0.425,582 0.33,583 0.75,584 0.459,585 184.184,586 0.107,587 -0.145,588 0.202,589 -0.055,590 -0.079,591 0.029,592 0.212,593 0.024,594 0.03,595 0.015,596 0.183,597 -0.043,598 0.003,599 -0.033,600 -0.045,601 -0.075,602 0.023,603 -0.062,604 -0.099,605 -0.015,606 -0.009,607 -0.034,608 -0.122,609 0.01,610 0.018,611 0.067,612 -0.041,613 0.072,614 0.062,615 0.005,616 -0.059,617 -0.084,618 -0.075,619 -0.077,620 -0.03,621 -0.087,622 -0.058,623 -0.038,624 -0.065,625 -0.064,626 -0.029,627 -0.039,628 -0.116,629 -0.062,630 -0.057,631 -0.033,632 -0.107,633 -0.007,634 4.661,635 6.441,636 0.794,637 42.069,638 0.996,639 1.121,640 2.952,641 8.715,642 0.672,643 3.664,644 4.007,645 4.29,646 4.543,647 4.754,648 4.771,649 4.905,650 5.03,651 5.124,652 5.159,653 8.213,654 0.627,655 477.68,656 3.664,657 5.22,658 6.08,659 6.967,660 7.843,661 8.735,662 9.619,663 10.514,664 11.404,665 12.302,666 4.6,669 2,673 1,680 2,681 12,686 2,688 17,703 65,705 20,706 3,707 38,709 69,710 27,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 10,733 3,736 1,737 3,741 1,747 31,748 6,749 1,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,783 1,792 1,796 4,799 1,805 34,808 1,810 8,811 1,814 2,815 2,825 4.6,828 3,832 16.75,833 11.233,834 7.333,835 4.111,836 3.01,837 1.364,838 1.006,839 6.803,840 11.287,841 3.922,842 4.511,843 5.024,844 5.536,845 6.073,846 6.278,847 6.662,848 6.957,849 7.281,850 7.166,851 0.9,852 55,853 13.016,854 5.996,855 7.718,856 24.847,857 21.662,859 2.218,860 75.417,864 353.133,865 152.67,866 22.654,868 69.458,870 5.807,871 146.863,872 422.591,873 22.654,875 36.572,876 119.522,877 74.163,878 14.525,880 353.133,882 353.133,883 169.516,884 69.458,885 5.807,887 258.964,888 163.627,891 41.215,892 128.302,893 5.807,895 353.133,896 92.112,897 152.67,899 5.807,900 353.133,901 33.148,902 118.358,903 18.011,904 69.458,905 353.133,906 92.112,907 152.67,909 0.586,910 0.346,911 0.186,912 0.1,913 27,914 11,915 0.087,916 6,917 1,918 1.074,919 4.565,920 322.091,921 0.074,922 27,923 162.974,927 1,928 23.196,929 9.971,930 5.113,931 1.877,932 92.112,933 23.303,938 1.547,940 18.011,941 597.915,942 49.5,945 -3.744,946 40.038,950 -0.164,952 64.734,953 72.856,954 0.255,955 0.546,956 0.717,957 0.856,958 0.888,959 0.898,960 5.178,961 1.618,962 6.084,963 5.491,964 4.691,965 5.198,966 2.242,967 6.94,968 4.629,969 6.384,970 1.577,971 7.676,972 4.407,973 4.369,974 5.173,975 1.668,976 8.138,977 4.224,978 7.716,979 1.413,980 9.387,981 3.998,982 6.358,983 7.453,984 3.075,985 11.244,986 6.202,987 9.093,988 1.336,989 11.179,990 3.038,991 6.909,992 8.316,993 3.135,994 13.363,995 6.645,996 10.514,997 1,998 13.028,999 2.962,1000 8.384,1001 10.119,1002 4.217,1003 16.097,1004 8.098,1005 11.968,1006 1,1007 14.919,1008 2.275,1009 9.324,1010 11.368,1011 4.564,1012 18.553,1013 8.926,1014 13.447,1015 0.838,1016 16.842,1017 2.155,1018 10.625,1019 13.005,1020 5.468,1021 21.207,1022 10.182,1023 3.565,1024 0.777,1025 18.79,1026 2.136,1027 11.739,1028 14.421,1029 5.961,1030 23.779,1031 11.189,1032 2.908,1033 13.976,1034 20.759,1035 1.984,1036 12.991,1037 15.998,1038 6.764,1039 26.417,1040 12.374,1041 2.779,1042 9.495,1043 22.743,1044 4.791,1045 14.183,1046 17.488,1047 7.335,1048 29.031,1049 13.464,1050 2.677,1051 8.963,1052 24.74,1053 4.25,1054 15.427,1055 19.045,1056 8.08,1057 31.666,1058 14.629,1059 2.435,1060 7.792,1061 26.747,1062 3.457,1063 16.656,1064 20.568,1065 8.695,1066 34.295,1067 15.761,1068 2.098,1069 7.061,1070 28.762,1071 3.166,1072 17.905,1073 22.12,1074 9.407,1075 36.931,1076 16.924,1077 1.82,1078 6.01,1079 30.783,1080 2.651,1081 19.152,1082 23.659,1083 10.046,1084 39.564,1085 18.078,1086 17458,1087 26743,1088 25.83,1089 43.688,1090 57.222,1091 58.818,1092 57.927,1093 57.437,1094 57.373,1095 73.433,1096 7.282,1097 167.532,1098 55.816,1099 5.958,1100 6.734,1101 7.537,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 12.842,1109 1.506,1110 1.548,1111 1.524,1112 1.511,1113 1.51,1114 1.932,1115 0.192,1116 4.409,1117 1.469,1118 4.167,1119 4.166,1120 4.746,1121 4.146,1122 7.715,1123 4.095,1124 3.962,1125 4.007,1126 3.969,1127 3.87,1128 7.428,1129 3.863,1130 3.927,1131 3.952,1132 3.871,1133 3.856,1134 6.999,1135 3.812,1136 3.805,1137 3.851,1138 3.738,1139 3.682,1140 4.886,1141 3.669,1142 3.642,1143 3.643,1144 3.605,1145 3.548,1146 4.755,1147 3.513,1148 3.362,1149 3.43,1150 3.26,1151 3.194,1152 4.358,1153 3.164,1154 3.28,1155 3.297,1156 3.23,1157 3.124,1158 4.28,1159 3.13,1160 3.141,1161 3.206,1162 2.999,1163 2.963,1164 4.2,1165 2.966,1166 0.13,1167 0.125,1168 0.204,1169 0.118,1170 0.094,1171 4.958,1172 0.126,1173 4.734,1174 0.051,1175 7.735,1176 0.368,1177 4.494,1178 0.087,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.414,1189 2.161,1190 1.928,1191 1.892,1192 2.078,1193 2.063,1194 1.324,1195 2.072,1196 1.81,1197 1.767,1198 1.99,1199 1.952,1200 1.216,1201 1.967,1202 1.714,1203 1.723,1204 1.856,1205 1.849,1206 1.136,1207 1.879,1208 1.602,1209 1.546,1210 1.692,1211 1.772,1212 1.064,1213 1.804,1214 1.418,1215 1.364,1216 1.609,1217 1.594,1218 0.825,1219 1.607,1220 1.248,1221 1.192,1222 1.513,1223 1.468,1224 0.759,1225 1.485,1226 1.153,1227 1.102,1228 1.492,1229 1.376,1230 0.723,1231 1.429,1232 4.344,1233 5.68,1234 2.398,1235 7.216,1236 4.595,1237 8.839,1238 6.629,1239 10.509,1247 6.148,1248 3.157,1251 -0.552,1252 3.807,1257 40.771,1258 99.982,1259 213.601,1260 280.56,1261 335.089,1262 347.454,1263 351.454,1264 76.134,1265 8.277,1266 69.72,1267 78.1,1268 29,1269 12.827,1270 4.392,1271 3.644,1272 50.255,1273 165,1274 184,1275 0.144,1276 249.953,1277 435.28,1278 601.645,1279 56056,1281 23.545,1282 0.693,1283 0.591,1284 23.795,1285 20.084,1286 16.503,1287 0.434,1288 0.356,1289 12.089,1290 15.302,1291 11.736,1292 9.656,1293 17.292,1294 13.519,1295 15.177,1296 0.281,1297 0.208,1298 16.477,1299 11.218,1300 12.911,1301 0.179,1302 0.124,1303 14.225,1304 8.921,1305 10.743,1306 0.116,1307 0.073,1308 11.986,1309 6.82,1310 8.664,1311 0.075,1312 0.043,1313 9.87,1314 4.968,1315 0.231,1316 110.019,1317 0.197,1318 31.906,1319 0.38,1320 184,1321 475.69,1322 237.292,1323 483.537,1324 659.94,1325 448,1326 218,1327 455.107,1328 281.417,1329 499.883,1330 733.85,1331 471,1332 5.337}
{0 CHEMBL248182,1 1.392,2 15.294,3 4.01,4 16.078,5 136.504,6 6.426,7 0.324,8 4.335,9 4.476,10 3.774,11 3.857,12 5.294,13 3.804,14 4.932,15 5.138,16 4.147,17 4.289,18 5.837,19 4.204,20 5.261,21 5.497,22 4.183,23 4.476,24 6.131,25 4.345,26 5.395,27 5.68,28 4.149,29 4.436,30 6.28,31 4.291,32 5.28,33 5.546,34 4.064,35 4.339,36 6.31,37 4.204,38 5.159,39 5.42,40 3.998,41 4.308,42 6.003,43 4.17,44 5.164,45 5.429,46 3.96,47 4.304,48 5.977,49 4.152,50 5.186,51 5.476,52 3.885,53 4.169,54 6.095,55 4.021,56 0.071,57 1.047,58 17.198,59 6.824,60 10.597,61 9.927,62 0.388,63 1.736,64 31.965,65 11.501,66 32.674,67 17.217,68 0.427,69 2.213,70 44.562,71 15.626,72 44.968,73 23.392,74 0.511,75 2.268,76 51.499,77 16.756,78 65.779,79 25.394,80 0.781,81 2.007,82 46.596,83 14.751,84 119.28,85 21.986,86 0.44,87 1.882,88 40.447,89 13.841,90 54.217,91 20.7,92 0.343,93 1.915,94 40.321,95 14.013,96 39.479,97 21.138,98 0.434,99 1.784,100 41.979,101 13.056,102 67.914,103 19.982,104 27,105 52,106 0.218,107 0.513,108 0.702,109 0.785,110 0.799,111 0.799,112 3.56,113 1.017,114 -4.6,115 -4.52,116 -4.26,119 38.9,120 3,121 4,123 1,125 4,127 2,138 9,139 2,140 1,151 1,152 1,163 15,165 1,166 5,169 3,171 4,172 19,175 1,176 3,179 1,181 3,183 13,187 11,190 1,192 4,194 8,197 1,198 7,201 2,202 1,203 1,205 6,208 1,209 2,214 4,217 10,220 1,221 7,226 6,227 6,231 10,236 4,238 2,241 1,242 4,245 1,247 2,249 7,252 2372,253 22.557,254 22.557,255 22.557,256 22.557,257 22.557,258 20.86,259 34.522,260 13.278,261 22.839,262 18.279,263 18.279,264 18.279,265 18.279,266 18.279,267 15.702,268 49.202,269 6.335,270 18.723,271 4.778,272 2.902,273 1.696,274 1.167,275 1.073,276 1.073,277 4.251,283 1,284 1116,285 4.301,287 113.002,288 378.718,295 2.664,296 29.559,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 72,308 520,309 4.44,310 3.873,311 7.111,312 4.313,313 3.314,314 3.839,315 1.964,316 11.657,317 3.313,318 4.221,319 3.567,320 6.64,321 4.062,322 3.102,323 3.457,324 1.693,325 10.57,326 2.972,327 3.942,328 3.535,329 5.7,330 3.689,331 2.732,332 3.384,333 0.916,334 7.861,335 2.619,336 3.866,337 3.019,338 5.594,339 3.553,340 2.575,341 3.159,342 0.595,343 7.585,344 2.512,345 3.653,346 2.633,347 5.372,348 3.433,349 2.454,350 2.804,351 0.172,352 7.052,353 2.399,354 3.477,355 2.551,356 5.205,357 3.186,358 2.205,359 2.56,360 0.163,361 6.301,362 2.156,363 3.131,364 2.432,365 4.947,366 2.953,367 1.987,368 2.199,369 0.069,370 5.767,371 1.903,372 2.938,373 2.237,374 4.595,375 2.646,376 1.652,377 2.038,379 4.717,380 1.635,381 2.831,382 1.653,383 4.258,384 2.489,385 1.483,386 1.914,388 3.778,389 1.485,390 2.75,391 1.519,392 3.607,393 2.404,394 1.409,395 1.732,397 3.037,398 1.4,399 2.5,400 1.278,401 3.564,402 2,403 1,404 1.5,406 2.275,407 1,408 2.5,409 1.117,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2,418 1.077,419 3.414,420 1.984,421 1,422 1,424 2.136,425 0.983,426 1.91,427 1,428 3.376,429 1.788,430 0.804,431 0.85,433 2.04,434 0.785,435 1.864,436 1,437 3.247,438 1.731,439 0.757,440 0.798,442 1.946,443 0.732,444 16.267,445 0.478,446 0.966,447 0.028,448 37,449 1.088,450 15.5,451 0.456,452 21.5,453 0.632,454 36.867,455 1.084,456 38.333,457 0.532,458 28.414,459 0.836,460 6.741,461 0.198,462 9.551,463 0.281,464 0.133,465 0.031,466 0.264,472 0.75,473 1.446,474 0.939,475 1.206,476 0.571,477 1.104,478 0.681,479 1.134,480 0.954,481 1.035,482 0.478,483 1.017,484 1.003,485 1.209,486 1.152,487 1.196,488 0.902,489 1.185,490 1.195,491 1.003,492 0.941,493 0.958,494 1.244,495 0.925,496 1.536,497 0.891,498 1.072,499 0.884,500 1.749,501 0.928,502 1.19,503 1.016,504 1.037,505 0.976,506 1.234,507 0.989,508 0.914,509 1.116,510 1.064,511 1.125,512 0.762,513 1.105,514 1.392,515 1.046,516 0.952,517 0.946,518 1.452,519 0.91,520 8,521 0.234,522 3.778,523 1.993,524 1.976,525 0.889,526 0.746,527 0.51,528 0.369,529 0.348,530 19082,531 38290,532 2.052,533 52.8,534 9,535 19,538 2,540 4,541 4,542 1.755,543 1.915,544 3.855,545 0.118,550 100.207,551 1.392,552 3.268,553 4.474,554 5.003,555 5.097,556 5.097,557 3.377,558 4.595,559 5.054,560 4.084,561 2290.89,562 8.839,563 37229.3,568 444.235,569 1.533,570 5.01,571 0.216,572 0.007,573 0.073,574 0.04,575 0.042,576 0.021,577 0.018,578 0.013,579 0.011,580 0.011,581 0.45,582 0.17,583 0.88,584 0.706,585 186.652,586 -0.004,587 -0.156,588 0.056,589 -0.035,590 -0.025,591 0.007,592 0.196,593 0.047,594 0.048,595 0.024,596 0.111,597 0.019,598 -0.024,599 -0.123,600 -0.155,601 -0.178,602 -0.052,603 -0.18,604 -0.005,605 -0.047,606 0.066,607 -0.016,608 -0.021,609 0.028,610 0.039,611 0.076,612 -0.027,613 0.055,614 0.037,615 0.012,616 -0.058,617 -0.009,618 -0.033,619 0.009,620 -0.084,621 -0.008,622 -0.017,623 -0.091,624 -0.081,625 -0.137,626 -0.002,627 -0.116,628 -0.043,629 -0.119,630 0.068,631 -0.026,632 0.002,633 0.025,634 1.862,635 6.062,636 0.676,637 46.606,638 0.987,639 1.132,640 3.372,641 11.373,642 0.637,643 3.638,644 3.97,645 4.174,646 4.382,647 4.533,648 4.543,649 4.644,650 4.745,651 4.796,652 4.927,653 8.872,654 0.59,655 462.7,656 3.638,657 5.187,658 6.019,659 6.891,660 7.736,661 8.607,662 9.458,663 10.33,664 11.184,665 12.056,666 5.6,669 1,673 3,681 9,686 3,688 12,703 72,705 14,706 2,707 37,709 75,710 28,711 12,712 3,713 9,717 4,718 4,720 1,721 3,722 1,724 6,727 6,729 14,730 14,733 2,737 2,741 2,747 38,748 6,749 2,750 6,755 4,760 1,761 2,773 1,775 1,776 3,783 1,792 1,796 4,801 3,805 34,810 8,811 2,814 2,815 2,816 1,825 2.8,828 2,832 17.75,833 13.4,834 7.333,835 4.558,836 1.846,837 1.233,838 0.948,839 7.951,840 9.754,841 3.829,842 4.317,843 4.718,844 5.139,845 5.539,846 5.489,847 5.682,848 5.829,849 5.818,850 6.05,851 1,852 50,853 12.718,854 5.414,855 7.596,856 24.952,857 21.04,859 2.096,860 71.25,864 423.76,865 148.431,866 42.27,868 50.29,871 148.431,872 474.05,873 42.27,874 26.476,875 57.707,876 85.286,877 54.995,878 12.252,879 4.276,880 423.76,882 423.76,883 190.701,884 50.29,887 329.591,888 144.459,891 87.307,892 103.395,895 423.76,896 92.56,897 148.431,900 423.76,901 36.669,902 118.01,903 36.022,904 50.29,905 423.76,906 92.56,907 148.431,909 0.588,910 0.329,911 0.168,912 0.086,913 24,914 11,915 0.08,916 6,918 1,919 4.582,920 302.808,922 23,923 156.219,928 24.751,929 10.922,930 6.621,932 92.56,933 18.487,938 3.305,940 36.022,941 664.751,942 45,946 26.01,950 -0.212,952 71.083,953 81.47,954 0.226,955 0.53,956 0.725,957 0.811,958 0.826,959 0.826,960 5.094,961 1.652,962 6.028,963 5.767,964 4.654,965 5.004,966 2.677,967 6.838,968 4.608,969 6.268,970 1.483,971 7.595,972 4.717,973 4.369,974 4.732,975 2.078,976 7.921,977 4.308,978 7.559,979 1.409,980 9.273,981 3.778,982 6.293,983 6.99,984 3.499,985 10.919,986 6.199,987 8.879,988 1,989 11.018,990 3.037,991 6.815,992 7.457,993 3.527,994 12.832,995 6.711,996 10.231,997 1,998 12.81,999 2.275,1000 8.248,1001 9.26,1002 4.58,1003 15.419,1004 8.118,1005 11.603,1006 1,1007 14.635,1008 2.275,1009 9.121,1010 10.063,1011 4.894,1012 17.651,1013 8.988,1014 12.992,1015 0.804,1016 16.484,1017 2.136,1018 10.375,1019 11.67,1020 5.768,1021 20.123,1022 10.225,1023 3.314,1024 0.757,1025 18.353,1026 2.04,1027 11.409,1028 12.658,1029 6.233,1030 22.478,1031 11.258,1032 3.102,1033 11.657,1034 20.236,1035 1.946,1036 12.599,1037 14.159,1038 7.012,1039 24.92,1040 12.439,1041 2.732,1042 10.57,1043 22.132,1044 3.839,1045 13.707,1046 15.259,1047 7.561,1048 27.322,1049 13.546,1050 2.575,1051 7.861,1052 24.038,1053 3.457,1054 14.879,1055 16.697,1056 8.288,1057 29.758,1058 14.714,1059 2.454,1060 7.585,1061 25.951,1062 3.384,1063 16.021,1064 17.871,1065 8.887,1066 32.181,1067 15.858,1068 2.205,1069 7.052,1070 27.871,1071 3.159,1072 17.19,1073 19.269,1074 9.587,1075 34.617,1076 17.027,1077 1.987,1078 6.301,1079 29.797,1080 2.804,1081 18.35,1082 20.494,1083 10.215,1084 37.049,1085 18.19,1086 18149,1087 25867,1088 24.444,1089 45.876,1090 55.972,1091 57.372,1092 55.989,1093 55.35,1094 55.36,1095 65.921,1096 11.146,1097 159.007,1098 54.189,1099 5.44,1100 5.873,1101 6.913,1102 5.369,1103 5.314,1104 6.839,1105 3.44,1106 18.749,1107 5.313,1108 17.885,1109 1.513,1110 1.551,1111 1.513,1112 1.496,1113 1.496,1114 1.782,1115 0.301,1116 4.297,1117 1.465,1118 4.012,1119 4.057,1120 3.937,1121 3.92,1122 7.433,1123 3.917,1124 3.938,1125 3.979,1126 3.86,1127 3.86,1128 7.424,1129 3.855,1130 3.88,1131 3.925,1132 3.798,1133 3.737,1134 4.773,1135 3.745,1136 3.784,1137 3.841,1138 3.668,1139 3.641,1140 4.744,1141 3.638,1142 3.594,1143 3.657,1144 3.462,1145 3.468,1146 4.359,1147 3.456,1148 3.37,1149 3.435,1150 3.278,1151 3.128,1152 4.269,1153 3.149,1154 3.254,1155 3.301,1156 3.148,1157 2.98,1158 4.218,1159 3.025,1160 3.141,1161 3.206,1162 2.998,1163 2.963,1164 3.916,1165 2.966,1166 0.12,1167 0.105,1168 0.192,1169 0.117,1170 0.09,1171 4.44,1172 0.104,1173 3.873,1174 0.053,1175 7.111,1176 0.315,1177 4.313,1178 0.09,1179 3.314,1180 3.839,1181 1.964,1182 11.657,1183 3.313,1184 1.955,1185 1.926,1186 2.087,1187 2.064,1188 1.413,1189 2.072,1190 1.928,1191 1.892,1192 2.078,1193 2.047,1194 1.283,1195 2.06,1196 1.808,1197 1.753,1198 1.99,1199 1.952,1200 1.216,1201 1.966,1202 1.628,1203 1.576,1204 1.856,1205 1.841,1206 1.136,1207 1.831,1208 1.603,1209 1.545,1210 1.838,1211 1.777,1212 0.997,1213 1.804,1214 1.51,1215 1.446,1216 1.697,1217 1.716,1218 0.927,1219 1.731,1220 1.245,1221 1.173,1222 1.513,1223 1.501,1224 0.825,1225 1.498,1226 1.153,1227 1.064,1228 1.497,1229 1.376,1230 0.729,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.151,1236 4.595,1237 8.73,1238 6.605,1239 10.347,1241 6.503,1247 6.959,1248 6.211,1251 -0.217,1252 4.135,1253 0.068,1257 42.471,1258 100.207,1259 235.284,1260 322.156,1261 360.196,1262 366.95,1263 366.95,1264 75.315,1265 7.908,1266 64.68,1267 64.68,1268 23,1269 12.601,1270 3.907,1271 3.17,1272 57.26,1273 178,1274 184,1275 0.151,1276 261.533,1277 462.18,1278 629.9,1279 35954,1281 24.131,1282 0.71,1283 0.609,1284 24.131,1285 20.719,1286 16.292,1287 0.44,1288 0.339,1289 12.422,1290 15.836,1291 12.002,1292 10.007,1293 16.292,1294 12.543,1295 15.395,1296 0.296,1297 0.205,1298 15.395,1299 10.654,1300 11.926,1301 0.186,1302 0.109,1303 11.926,1304 7.001,1305 9.693,1306 0.123,1307 0.062,1308 9.693,1309 4.906,1310 7.363,1311 0.08,1312 0.035,1313 7.363,1314 3.218,1315 0.246,1316 100.872,1317 0.202,1318 32.281,1319 0.39,1320 178,1321 419.427,1322 191.532,1323 411.033,1324 559.63,1325 384,1326 205,1327 407.78,1328 218.895,1329 417.414,1330 604.92,1331 391,1332 4.699}
{0 CHEMBL275593,1 1.676,2 17.455,3 5.232,4 27.371,5 176.422,6 8.021,7 0.354,8 4.489,9 4.602,10 4.14,11 4.069,12 5.518,13 4.018,14 5.074,15 5.243,16 4.534,17 4.495,18 6.079,19 4.406,20 5.364,21 5.573,22 4.628,23 4.662,24 6.335,25 4.535,26 5.414,27 5.635,28 4.708,29 4.659,30 6.407,31 4.514,32 5.408,33 5.647,34 4.59,35 4.584,36 6.512,37 4.46,38 5.371,39 5.598,40 4.578,41 4.555,42 6.441,43 4.432,44 5.341,45 5.557,46 4.56,47 4.511,48 6.487,49 4.408,50 5.303,51 5.515,52 4.58,53 4.499,54 6.517,55 4.382,56 0.046,57 1.16,58 16.368,59 7.931,60 9,61 10.089,62 0.46,63 1.964,64 37.286,65 14.034,66 40.29,67 17.847,68 0.736,69 2.4,70 57.535,71 19.789,72 80.013,73 24.91,74 0.746,75 2.481,76 70.965,77 21.28,78 90.958,79 26.624,80 0.934,81 2.447,82 61.237,83 20.102,84 137.794,85 26.248,86 0.803,87 2.278,88 65.112,89 19.733,90 104.356,91 24.648,92 0.834,93 2.187,94 57.908,95 18.22,96 122.264,97 22.477,98 1.096,99 2.132,100 59.909,101 18.174,102 154.538,103 22.366,104 26,105 65,106 0.254,107 0.543,108 0.746,109 0.86,110 0.888,111 0.896,112 3.81,113 1.05,114 -4.72,115 -4.64,116 -4.36,119 40.2,121 4,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 15,165 1,166 4,169 2,171 3,172 24,175 2,176 5,179 1,181 3,183 16,187 8,192 5,194 14,197 3,198 8,201 3,203 5,205 5,209 13,212 1,214 4,217 8,221 12,226 4,227 7,230 2,231 10,234 2,235 1,236 3,238 10,241 1,242 8,245 1,247 1,249 13,252 5358,253 29.896,254 29.896,255 29.896,256 29.896,257 29.896,258 27.39,259 30.676,260 18.084,261 30.71,262 23.731,263 23.731,264 23.731,265 23.731,266 23.731,267 19.862,268 32.304,269 8.663,270 25.105,271 4.682,272 2.767,273 1.427,274 0.677,275 0.488,276 0.439,277 4.512,279 2,283 1,284 1664,285 4.637,287 141.037,288 631.453,292 245.376,295 2.905,296 52.825,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 94.667,308 768,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.443,340 2.522,341 2.947,342 1.859,343 7.122,344 2.405,345 3.601,346 3.259,347 5.34,348 3.434,349 2.453,350 2.838,351 0.901,352 6.965,353 2.31,354 3.522,355 3.104,356 5.22,357 3.28,358 2.293,359 2.811,360 0.86,361 6.316,362 2.255,363 3.509,364 3.001,365 5.132,366 3.104,367 2.174,368 2.695,369 0.8,370 6.216,371 2.066,372 3.45,373 2.885,374 4.984,375 3.028,376 2.048,377 2.522,378 0.561,379 5.815,380 1.878,381 3.118,382 2.649,383 4.805,384 2.747,385 1.785,386 2.427,387 0.215,388 5.048,389 1.722,390 2.98,391 2.29,392 4.589,393 2.618,394 1.703,395 2.088,397 4.406,398 1.618,399 2.786,400 2.176,401 4.162,402 2.611,403 1.618,404 1.904,406 3.793,407 1.493,408 2.77,409 1.846,410 3.999,411 2.425,412 1.55,413 1.793,415 3.543,416 1.3,417 2.71,418 1.799,419 3.807,420 2.35,421 1.454,422 1.711,424 3.127,425 1.278,426 2.563,427 1.68,428 3.6,429 2.274,430 1.275,431 1.518,433 3.068,434 1.264,435 2.482,436 1.618,437 3.592,438 2.115,439 1.175,440 1.478,442 2.846,443 1.067,444 21.695,445 0.493,446 0.959,447 0.022,448 48.75,449 1.108,450 20.5,451 0.466,452 28.25,453 0.642,454 51.404,455 1.168,456 48.505,457 0.592,458 41.351,459 0.94,460 9.219,461 0.21,462 12.166,463 0.277,464 0.112,466 0.29,472 0.679,473 1.324,474 0.649,475 0.978,476 0.517,477 0.951,478 0.854,479 1.128,480 0.859,481 0.981,482 0.573,483 0.976,484 1.009,485 0.968,486 0.963,487 0.958,488 1.016,489 0.976,490 0.946,491 1.123,492 0.92,493 1.07,494 1.113,495 1.029,496 0.764,497 1.002,498 0.758,499 0.931,500 0.836,501 0.887,502 1.117,503 0.986,504 0.935,505 0.985,506 1.273,507 0.952,508 1.399,509 1.009,510 0.93,511 0.921,512 1.696,513 0.916,514 1.124,515 0.965,516 1.049,517 0.997,518 1.319,519 0.949,520 7.5,521 0.336,522 4.444,523 3.076,524 2.295,525 1.65,526 0.971,527 0.777,528 0.554,529 0.406,530 38311,531 102840,532 2.084,533 46.3,534 2,535 27,536 1,538 2,539 2,540 4,542 1.824,543 1.97,544 4.015,545 0.126,550 137.433,551 1.676,552 3.59,553 4.931,554 5.681,555 5.87,556 5.919,557 3.491,558 5.079,559 5.422,560 4.264,561 4034.11,562 9.619,563 79728.2,568 521.319,569 1.325,570 5.399,571 0.156,572 0.006,573 0.068,574 0.046,575 0.036,576 0.026,577 0.016,578 0.013,579 0.009,580 0.007,581 0.384,582 0.17,583 0.63,584 0.481,585 259.853,586 -0.03,587 -0.121,588 0.035,589 -0.006,590 -0.006,591 0.013,592 -0.006,593 0.03,594 -0.015,595 0.023,596 0.025,597 -0.019,598 -0.057,599 0.075,600 -0.017,601 0.049,602 -0.078,603 0.004,604 -0.011,605 -0.103,606 0.09,607 -0.029,608 -0.046,609 -0.034,610 0.19,611 0.003,612 0.125,613 0.046,614 0.224,615 0.089,616 -0.022,617 0.002,618 0.05,619 0.001,620 -0.008,621 0.022,622 -0.107,623 -0.023,624 0.028,625 0.038,626 -0.067,627 0.032,628 0.125,629 0.042,630 0.026,631 0.019,632 0.15,633 0.015,634 1.979,635 6.615,636 0.614,637 73.388,638 1.004,639 1.123,640 3.495,641 12.214,642 0.682,643 3.892,644 4.19,645 4.443,646 4.7,647 4.913,648 4.949,649 5.043,650 5.118,651 5.204,652 5.182,653 10.185,654 0.637,655 657.72,656 3.892,657 5.425,658 6.263,659 7.13,660 7.989,661 8.865,662 9.736,663 10.618,664 11.496,665 12.383,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 82,705 20,706 3,707 48,709 86,710 33,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 5,729 19,730 14,733 3,737 3,741 3,747 38,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 44,810 12,811 2,812 1,813 1,814 2,815 2,824 2,825 4.9,828 3,829 1,832 22.333,833 14.269,834 9.778,835 5.095,836 2.74,837 1.325,838 0.966,839 12.243,840 11.173,841 4.103,842 4.615,843 5.104,844 5.611,845 6.118,846 6.276,847 6.549,848 6.844,849 7.133,850 6.889,851 0.917,852 67,853 16.487,854 7.119,855 7.755,856 31.645,857 26.404,859 2.255,860 99.222,864 423.76,865 191.571,866 42.27,867 78.297,868 86.435,870 32.22,871 159.352,872 588.492,873 42.27,875 71.103,876 94.762,877 100.549,878 21.643,879 11.771,880 444.208,881 78.297,882 423.76,883 201.622,884 86.435,885 110.517,887 376.675,888 122.519,889 11,891 74.227,892 127.395,893 78.297,894 32.22,895 423.76,896 128.705,897 269.869,900 423.76,901 96.809,902 101.011,903 36.022,904 164.732,905 423.76,906 128.705,907 269.869,909 0.572,910 0.329,911 0.181,912 0.101,913 28,914 13,915 0.151,916 13,917 1,918 1.074,919 5.417,920 435,921 0.074,922 27,923 234.215,924 1,928 33.05,929 16.3,930 9.126,931 2.179,932 128.705,933 19.131,938 2.584,940 36.022,941 822.333,942 59.5,946 39.621,950 -0.719,952 82.345,953 92.112,954 0.264,955 0.565,956 0.776,957 0.894,958 0.923,959 0.931,960 5.344,961 2.048,962 6.229,963 6.216,964 4.875,965 5.303,966 3.944,967 7.013,968 4.769,969 6.505,970 1.785,971 7.768,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.787,979 1.703,980 9.411,981 5.048,982 6.435,983 7.39,984 6.086,985 11.003,986 6.239,987 9.102,988 1.618,989 11.119,990 4.406,991 6.781,992 7.996,993 5.238,994 12.76,995 6.514,996 10.455,997 1.55,998 12.872,999 3.793,1000 8.291,1001 9.836,1002 8.608,1003 15.409,1004 8.003,1005 11.832,1006 1.454,1007 14.656,1008 3.543,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.696,1014 13.23,1015 1.275,1016 16.463,1017 3.127,1018 10.338,1019 12.501,1020 11.213,1021 20.033,1022 9.949,1023 3.266,1024 1.175,1025 18.29,1026 3.068,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.849,1032 3.032,1033 11.459,1034 20.132,1035 2.846,1036 12.499,1037 15.292,1038 13.839,1039 24.762,1040 12.003,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.005,1050 2.522,1051 9.037,1052 23.848,1053 3.947,1054 14.728,1055 18.154,1056 16.47,1057 29.545,1058 14.12,1059 2.453,1060 7.122,1061 25.719,1062 3.387,1063 15.841,1064 19.57,1065 16.323,1066 31.937,1067 15.171,1068 2.293,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.273,1077 2.174,1078 6.316,1079 29.481,1080 2.838,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.348,1086 35918,1087 59213,1088 32.304,1089 55.909,1090 70.938,1091 75.812,1092 72.412,1093 70.942,1094 70.548,1095 86.358,1096 25.703,1097 196.363,1098 66.516,1099 5.493,1100 6.788,1101 6.701,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 20.483,1109 1.478,1110 1.579,1111 1.509,1112 1.478,1113 1.47,1114 1.799,1115 0.535,1116 4.091,1117 1.386,1118 4.098,1119 4.121,1120 4.169,1121 4.057,1122 7.435,1123 4.052,1124 3.976,1125 3.998,1126 4.04,1127 3.928,1128 7.427,1129 3.908,1130 3.84,1131 3.9,1132 3.958,1133 3.682,1134 7.422,1135 3.674,1136 3.774,1137 3.804,1138 3.713,1139 3.647,1140 5.015,1141 3.637,1142 3.687,1143 3.744,1144 3.585,1145 3.492,1146 4.896,1147 3.498,1148 3.578,1149 3.631,1150 3.583,1151 3.431,1152 4.629,1153 3.426,1154 3.482,1155 3.528,1156 3.496,1157 3.325,1158 4.627,1159 3.337,1160 3.393,1161 3.444,1162 3.383,1163 3.208,1164 4.348,1165 3.21,1166 0.094,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.493,1172 0.092,1173 4.788,1174 0.079,1175 6.875,1176 0.239,1177 4.19,1178 0.063,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.362,1189 2.147,1190 1.896,1191 1.882,1192 2.022,1193 2.007,1194 1.325,1195 2.013,1196 1.791,1197 1.727,1198 1.945,1199 1.964,1200 1.195,1201 1.972,1202 1.672,1203 1.63,1204 1.898,1205 1.894,1206 1.175,1207 1.899,1208 1.643,1209 1.592,1210 1.802,1211 1.843,1212 1.101,1213 1.839,1214 1.526,1215 1.479,1216 1.713,1217 1.744,1218 0.934,1219 1.74,1220 1.487,1221 1.445,1222 1.675,1223 1.624,1224 0.848,1225 1.646,1226 1.305,1227 1.237,1228 1.576,1229 1.549,1230 0.825,1231 1.561,1232 4.575,1233 5.878,1234 2.398,1235 7.368,1236 4.844,1237 8.95,1238 7.018,1239 10.584,1242 12.673,1247 8.309,1248 5.942,1249 5.395,1250 1.337,1251 -1.158,1252 3.928,1257 52.269,1258 137.433,1259 294.405,1260 404.326,1261 465.809,1262 481.319,1263 485.319,1264 117.851,1265 8.433,1266 90.98,1267 116.28,1268 29,1269 12.917,1270 4.392,1271 3.644,1272 73.972,1273 255,1274 326,1275 0.13,1276 329.108,1277 584.01,1278 794.784,1279 66815,1280 2.4,1281 30.89,1282 0.702,1283 0.612,1284 32.244,1285 26.933,1286 21.385,1287 0.446,1288 0.35,1289 15.061,1290 19.676,1291 14.637,1292 11.974,1293 22.371,1294 16.797,1295 18.896,1296 0.291,1297 0.203,1298 20.291,1299 13.224,1300 15.509,1301 0.185,1302 0.119,1303 16.962,1304 10.006,1305 12.897,1306 0.118,1307 0.07,1308 14.732,1309 7.673,1310 10.419,1311 0.077,1312 0.039,1313 11.74,1314 5.299,1315 0.21,1316 143.534,1317 0.176,1318 39.61,1319 0.34,1320 226,1321 658.165,1322 301.01,1323 706.519,1324 924.4,1325 660,1326 262,1327 585.99,1328 327.014,1329 622.4,1330 916.03,1331 587,1332 5.62}
{0 CHEMBL277930,1 1.451,2 12.917,3 5.65,4 31.924,5 147.264,6 7.241,7 0.3,8 4.363,9 4.485,10 3.913,11 3.942,12 5.282,13 3.883,14 4.982,15 5.167,16 4.325,17 4.401,18 5.849,19 4.311,20 5.369,21 5.597,22 4.466,23 4.649,24 6.187,25 4.523,26 5.506,27 5.762,28 4.449,29 4.696,30 6.297,31 4.544,32 5.51,33 5.775,34 4.501,35 4.653,36 6.395,37 4.502,38 5.429,39 5.685,40 4.482,41 4.617,42 6.333,43 4.463,44 5.438,45 5.708,46 4.319,47 4.624,48 6.155,49 4.432,50 5.418,51 5.694,52 4.33,53 4.538,54 6.181,55 4.332,56 0.049,57 0.991,58 16.359,59 7.33,60 7.316,61 10.042,62 0.235,63 1.732,64 33.317,65 13.091,66 24.165,67 18.233,68 0.412,69 2.367,70 54.515,71 19.47,72 43.494,73 26.877,74 0.48,75 2.636,76 61.586,77 22.521,78 48.861,79 31.22,80 0.818,81 2.572,82 65.687,83 22.225,84 84.026,85 30.852,86 0.757,87 2.409,88 60.457,89 20.361,90 90.494,91 28.464,92 0.417,93 2.399,94 61.452,95 21.889,96 45.403,97 30.454,98 0.546,99 2.25,100 66.791,101 21.412,102 62.001,103 29.306,104 18,105 57,106 0.226,107 0.525,108 0.729,109 0.815,110 0.827,111 0.836,112 3.616,113 1.085,114 -3.24,115 -3.23,116 -3.1,119 41.1,120 1,121 8,122 1,125 4,127 1,134 1,135 1,138 6,139 2,140 4,151 1,163 14,166 5,169 1,171 3,172 20,174 4,176 7,181 2,183 20,185 2,187 4,192 2,193 1,194 19,196 2,197 1,198 4,201 1,203 2,205 18,207 2,209 4,211 1,214 6,217 15,219 2,221 2,226 2,227 12,229 2,231 2,236 2,238 16,240 2,242 2,244 1,247 2,249 6,251 2,252 2326,253 24.507,254 24.507,255 24.507,256 24.507,257 24.507,258 22.589,259 33.512,260 14.342,261 25.1,262 19.671,263 19.671,264 19.671,265 19.671,266 19.671,267 16.726,268 45.468,269 6.782,270 20.715,271 4.739,272 2.826,273 1.518,274 0.969,275 0.887,276 0.832,277 4.324,279 2,283 1,284 1022,285 3.674,288 359.858,290 156.451,292 289.299,295 2.046,296 31.028,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 75.667,308 465,309 4.572,310 3.936,311 7.214,312 4.291,313 3.362,314 4.159,315 2.145,316 12.697,317 3.243,318 4.378,319 3.741,320 6.986,321 4.269,322 3.301,323 3.736,324 1.285,325 11.907,326 3.08,327 4.082,328 3.298,329 6.028,330 3.617,331 2.662,332 3.425,333 0.86,334 8.587,335 2.533,336 3.812,337 2.996,338 5.745,339 3.545,340 2.579,341 3.07,342 0.821,343 7.806,344 2.484,345 3.728,346 2.817,347 5.344,348 3.392,349 2.4,350 2.932,351 0.704,352 6.883,353 2.37,354 3.516,355 2.807,356 5.271,357 3.191,358 2.235,359 2.805,360 0.08,361 6.666,362 2.137,363 3.338,364 2.512,365 4.997,366 3.027,367 2.154,368 2.632,370 5.959,371 1.785,372 3.298,373 2.444,374 4.915,375 2.854,376 1.971,377 2.354,379 5.616,380 1.706,381 2.919,382 2.357,383 4.552,384 2.707,385 1.709,386 1.983,388 4.328,389 1.645,390 2.74,391 1.825,392 4.151,393 2.543,394 1.539,395 1.814,397 3.526,398 1.528,399 2.717,400 1.603,401 3.816,402 2.414,403 1.414,404 1.736,406 3.422,407 1.414,408 2.447,409 1.359,410 3.802,411 2.253,412 1.259,413 1.439,415 2.916,416 1.249,417 2,418 1.077,419 3.551,420 1.984,421 1,422 1,424 2.372,425 0.983,426 1.968,427 0.935,428 3.532,429 1.622,430 0.666,431 0.822,433 1.658,434 0.626,435 1.599,436 0.861,437 3.414,438 1.535,439 0.565,440 0.579,442 1.156,443 0.541,444 17.895,445 0.497,446 0.884,447 0.025,448 37.75,449 1.049,450 15,451 0.417,452 22.75,453 0.632,454 45.445,455 1.262,456 40.005,457 0.548,458 27.748,459 0.771,460 6.483,461 0.18,462 10.977,463 0.305,464 0.126,465 0.022,466 0.279,472 0.698,473 1.325,474 0.673,475 1.034,476 0.539,477 1,478 0.788,479 1.17,480 0.726,481 0.972,482 0.48,483 0.984,484 1.015,485 1.046,486 0.876,487 0.971,488 0.828,489 0.977,490 0.885,491 1.027,492 0.739,493 0.944,494 0.834,495 0.959,496 0.805,497 0.972,498 0.715,499 0.881,500 1.178,501 0.877,502 0.787,503 0.982,504 0.742,505 0.909,506 1.066,507 0.933,508 0.738,509 1.006,510 0.878,511 0.979,512 0.723,513 1.002,514 0.918,515 1.025,516 0.893,517 0.971,518 0.937,519 0.991,520 8,521 0.285,522 3.556,523 2.5,524 2.756,525 1.389,526 0.99,527 0.616,528 0.495,529 0.315,530 19922,531 43206,532 2.113,533 50.7,534 12,535 16,538 1,539 1,540 3,541 4,542 1.775,543 1.991,544 3.608,545 -0.438,550 105.901,551 1.451,552 3.364,553 4.672,554 5.221,555 5.303,556 5.358,557 3.051,558 4.371,559 5.143,560 3.839,561 2418.37,562 9.043,563 38350.3,568 451.857,569 1.463,570 5.103,571 0.2,572 0.009,573 0.062,574 0.039,575 0.045,576 0.023,577 0.018,578 0.013,579 0.012,580 0.009,581 0.43,582 0.5,583 0.75,584 0.639,585 195.96,586 0.002,587 -0.1,588 0.033,589 -0.017,590 0.013,591 0.019,592 0.027,593 -0.014,594 0.031,595 -0.001,596 0.114,598 -0.069,599 0.012,600 -0.024,601 -0.007,602 0.008,603 -0.002,605 -0.021,606 0.036,607 0.001,608 0.045,609 0.011,610 0.201,611 0.01,612 0.13,613 0.061,614 0.138,615 0.085,616 0.165,617 0.029,618 0.112,619 0.039,620 0.174,621 0.032,622 -0.009,623 -0.03,624 0.017,625 -0.005,626 -0.008,627 -0.011,628 0.021,629 -0.09,630 0.088,631 0.005,632 0.016,633 -0.008,634 1.825,635 6.766,636 0.778,637 38.645,638 0.991,639 1.123,640 2.006,641 4.025,642 0.667,643 3.714,644 4.06,645 4.344,646 4.644,647 4.963,648 5.081,649 5.242,650 5.366,651 5.468,652 5.549,653 7.799,654 0.615,655 528.59,656 3.714,657 5.273,658 6.133,659 7.031,660 7.915,661 8.82,662 9.714,663 10.623,664 11.524,665 12.436,666 2.7,673 1,678 1,681 6,686 6,688 12,701 1,702 2,703 73,705 14,706 2,707 40,709 77,710 30,711 12,712 6,713 6,717 5,718 8,719 2,721 1,724 9,725 1,727 9,729 15,730 15,731 1,733 2,737 1,739 1,741 2,747 37,748 3,749 1,750 6,751 2,755 2,756 1,759 1,760 0.6,761 2,776 4,778 1,780 2,783 1,788 1,789 1,796 3,801 1,802 2,805 36,810 12,811 1,812 1,814 2,817 1,824 2,825 2.7,828 1,830 1,832 18.083,833 13.119,834 7.889,835 5.189,836 2.607,837 1.304,838 0.968,839 8.191,840 11.187,841 3.892,842 4.431,843 4.909,844 5.45,845 6.004,846 6.249,847 6.615,848 7.03,849 7.318,850 7.544,851 1,852 64,853 13.469,854 5.849,855 7.52,856 26.731,857 23.232,859 2.02,860 72.722,864 423.76,865 135.607,866 18.011,867 78.297,868 36.145,871 135.607,872 538.202,873 18.011,874 8.825,875 46.71,876 66.334,877 29.85,878 38.045,880 423.76,881 78.297,882 423.76,883 153.618,884 36.145,885 78.297,887 341.362,888 118.543,891 55.535,892 88.607,893 87.774,895 423.76,896 54.156,897 213.905,900 423.76,901 60.449,902 75.159,903 18.011,904 114.442,905 423.76,906 54.156,907 213.905,909 0.583,910 0.341,911 0.189,912 0.115,913 28,914 12,915 0.065,916 5,917 2,918 1.143,919 4.541,920 358.69,921 0.143,922 28,923 164.117,928 25.94,929 11.368,930 5.92,932 54.156,933 10.956,938 4.11,940 18.011,941 691.82,942 48,946 13.766,948 2.527,950 1.651,952 72.352,953 81.985,954 0.234,955 0.543,956 0.755,957 0.843,958 0.857,959 0.866,960 5.17,961 1.971,962 6.142,963 5.959,964 4.745,965 5.118,966 2.687,967 7,968 4.648,969 6.36,970 1.709,971 7.73,972 5.616,973 4.443,974 4.956,975 2.121,976 8.192,977 4.231,978 7.677,979 1.539,980 9.426,981 4.328,982 6.415,983 7.203,984 3.526,985 11.254,986 6.227,987 9.023,988 1.414,989 11.193,990 3.526,991 6.938,992 7.811,993 3.692,994 13.301,995 6.65,996 10.402,997 1.259,998 13.006,999 3.422,1000 8.401,1001 9.581,1002 4.782,1003 15.96,1004 8.116,1005 11.802,1006 1,1007 14.854,1008 2.916,1009 9.301,1010 10.55,1011 5.262,1012 18.318,1013 8.934,1014 13.219,1015 0.666,1016 16.728,1017 2.372,1018 10.582,1019 12.128,1020 6.199,1021 20.872,1022 10.197,1023 3.362,1024 0.565,1025 18.62,1026 1.658,1027 11.653,1028 13.288,1029 6.821,1030 23.337,1031 11.2,1032 3.301,1033 12.697,1034 20.528,1035 1.156,1036 12.872,1037 14.777,1038 7.677,1039 25.865,1040 12.387,1041 2.662,1042 11.907,1043 22.447,1044 4.159,1045 14.017,1046 16.044,1047 8.368,1048 28.366,1049 13.474,1050 2.579,1051 8.587,1052 24.376,1053 3.736,1054 15.219,1055 17.491,1056 9.18,1057 30.888,1058 14.636,1059 2.4,1060 7.806,1061 26.312,1062 3.425,1063 16.395,1064 18.819,1065 9.906,1066 33.403,1067 15.761,1068 2.235,1069 6.883,1070 28.253,1071 3.07,1072 17.594,1073 20.246,1074 10.695,1075 35.926,1076 16.917,1077 2.154,1078 6.666,1079 30.199,1080 2.932,1081 18.785,1082 21.61,1083 11.438,1084 38.446,1085 18.06,1086 18630,1087 28058,1088 26.929,1089 48.722,1090 59.087,1091 60.945,1092 62.595,1093 59.365,1094 58.863,1095 70.239,1096 11.79,1097 173.467,1098 55.823,1099 5.572,1100 5.936,1101 7.094,1102 5.385,1103 5.362,1104 7.159,1105 3.702,1106 20.233,1107 5.243,1108 16.083,1109 1.477,1110 1.524,1111 1.565,1112 1.484,1113 1.472,1114 1.756,1115 0.295,1116 4.337,1117 1.396,1118 4.079,1119 4.112,1120 4.107,1121 4,1122 7.428,1123 4.003,1124 3.984,1125 4.026,1126 3.932,1127 3.848,1128 5.031,1129 3.848,1130 3.82,1131 3.879,1132 3.894,1133 3.732,1134 4.887,1135 3.72,1136 3.768,1137 3.786,1138 3.691,1139 3.697,1140 4.606,1141 3.688,1142 3.571,1143 3.636,1144 3.579,1145 3.389,1146 4.488,1147 3.391,1148 3.394,1149 3.457,1150 3.399,1151 3.265,1152 4.306,1153 3.257,1154 3.362,1155 3.442,1156 3.236,1157 3.219,1158 4.144,1159 3.194,1160 3.343,1161 3.396,1162 3.169,1163 3.196,1164 4.06,1165 3.179,1166 0.114,1167 0.098,1168 0.18,1169 0.107,1170 0.084,1171 4.572,1172 0.104,1173 3.936,1174 0.054,1175 7.214,1176 0.317,1177 4.291,1178 0.081,1179 3.362,1180 4.159,1181 2.145,1182 12.697,1183 3.243,1184 2.009,1185 1.998,1186 2.14,1187 2.144,1188 1.532,1189 2.146,1190 1.948,1191 1.892,1192 2.07,1193 2.084,1194 1.413,1195 2.082,1196 1.83,1197 1.773,1198 2.046,1199 1.979,1200 1.28,1201 2.009,1202 1.763,1203 1.746,1204 1.841,1205 1.821,1206 1.099,1207 1.84,1208 1.54,1209 1.474,1210 1.801,1211 1.755,1212 1.029,1213 1.768,1214 1.411,1215 1.345,1216 1.709,1217 1.591,1218 0.971,1219 1.636,1220 1.398,1221 1.322,1222 1.691,1223 1.581,1224 0.93,1225 1.624,1226 1.317,1227 1.276,1228 1.513,1229 1.522,1230 0.825,1231 1.52,1232 4.394,1233 5.733,1235 7.27,1237 8.909,1239 10.606,1241 2.325,1242 12.647,1247 14.44,1248 3.388,1249 6.083,1251 -0.316,1254 1.145,1257 44.873,1258 105.901,1259 245.55,1260 341.063,1261 381.102,1262 387.102,1263 391.102,1264 73.388,1265 8.58,1266 38.33,1267 38.33,1268 32,1269 12.952,1270 3.907,1271 3.17,1272 54.492,1273 171,1274 176,1275 0.155,1276 277.865,1277 494.16,1278 669.751,1279 76060,1280 2.7,1281 25.123,1282 0.698,1283 0.632,1284 26.123,1285 22.766,1286 17.46,1287 0.437,1288 0.362,1289 13.666,1290 16.456,1291 13.317,1292 10.981,1293 18.038,1294 14.469,1295 15.923,1296 0.279,1297 0.209,1298 16.739,1299 11.901,1300 13.439,1301 0.177,1302 0.12,1303 13.964,1304 9.148,1305 11.321,1306 0.11,1307 0.066,1308 11.76,1309 6.82,1310 10.056,1311 0.071,1312 0.038,1313 10.62,1314 5.385,1315 0.245,1316 113.622,1317 0.193,1318 32.855,1319 0.422,1320 194,1321 444.544,1322 236.29,1323 492.35,1324 660.67,1325 460,1326 230,1327 446.86,1328 262.157,1329 470.598,1330 694.79,1331 446,1332 5}
{0 CHEMBL278962,1 1.472,2 13.828,3 3.891,4 15.141,5 115.834,6 6.39,7 0.4,8 4.198,9 4.334,10 3.621,11 3.615,12 5.205,13 3.584,14 4.76,15 4.979,16 3.886,17 3.932,18 5.677,19 3.877,20 4.943,21 5.184,22 3.96,23 4.084,24 5.836,25 4.001,26 5.026,27 5.269,28 3.898,29 4.168,30 5.855,31 4.033,32 5.156,33 5.444,34 3.831,35 4.172,36 5.928,37 4.007,38 5.063,39 5.356,40 3.797,41 4.074,42 5.837,43 3.928,44 4.932,45 5.199,46 3.748,47 3.994,48 5.775,49 3.869,50 4.939,51 5.231,52 3.657,53 3.94,54 5.753,55 3.795,56 0.039,57 0.865,58 15.403,59 5.599,60 11.891,61 8.22,62 0.357,63 1.27,64 27.875,65 8.188,66 32.368,67 12.586,68 0.583,69 1.476,70 33.479,71 9.687,72 42.396,73 15.239,74 0.397,75 1.574,76 35.486,77 12.093,78 36.69,79 18.141,80 0.606,81 1.636,82 40.606,83 12.656,84 50.344,85 19.703,86 0.518,87 1.502,88 37.101,89 11.001,90 45.219,91 17.548,92 0.392,93 1.401,94 32.665,95 9.397,96 39.714,97 15.119,98 0.561,99 1.325,100 33.006,101 9.296,102 45.783,103 15.081,104 48,105 38,106 0.24,107 0.511,108 0.743,109 0.82,110 0.831,111 0.846,112 3.407,113 1.025,114 -3.97,115 -3.93,116 -3.72,119 34.9,120 3,121 2,124 2,125 4,127 1,138 4,140 3,141 1,143 1,145 1,163 2,165 1,166 9,169 1,171 3,172 2,175 3,176 5,181 1,183 2,186 1,187 3,190 1,194 5,197 1,198 5,201 2,205 3,208 2,209 6,220 1,221 4,226 3,227 3,230 2,231 2,234 1,236 2,238 2,241 1,242 2,249 4,252 1527,253 19.842,254 19.842,255 19.842,256 19.842,257 19.842,258 18.394,259 32.361,260 11.915,261 20.692,262 14.547,263 14.547,264 14.547,265 14.547,266 14.547,267 12.249,268 46.886,269 5.333,270 15.653,271 4.505,272 2.845,273 1.421,274 0.949,275 0.885,276 0.79,277 4.076,282 1,283 1,284 810,285 4.301,288 223.075,295 2.328,296 21.604,299 1,300 0.83,301 0.83,302 1,303 1,304 0.83,305 0.5,306 0.86,307 63,308 401,309 4.269,310 3.248,311 6.173,312 3.849,313 2.909,314 3.912,315 1.151,316 9.17,317 2.728,318 4.079,319 2.925,320 5.647,321 3.662,322 2.728,323 3.673,324 0.86,325 7.89,326 2.547,327 3.563,328 2.785,329 5.276,330 3.39,331 2.461,332 2.863,333 0.86,334 6.672,335 2.291,336 3.494,337 2.711,338 5.232,339 3.274,340 2.34,341 2.674,342 0.8,343 6.572,344 2.178,345 3.423,346 2.573,347 5.161,348 3.149,349 2.228,350 2.45,351 0.4,352 6.407,353 2.04,354 3.109,355 2.19,356 4.705,357 2.861,358 1.907,359 2.175,361 5.182,362 1.813,363 2.916,364 1.977,365 4.38,366 2.512,367 1.596,368 2.053,370 4.203,371 1.455,372 2.67,373 1.355,374 3.515,375 2.187,376 1.235,377 1.744,379 2.686,380 1.174,381 2.138,382 1.216,383 3.363,384 2.066,385 1.101,386 1.133,388 2.322,389 1.06,390 2.046,391 1.157,392 3.268,393 1.713,394 0.824,395 0.975,397 1.826,398 0.725,399 1.618,400 0.947,401 2.859,402 1.591,403 0.618,404 0.618,406 0.791,407 0.6,408 1.592,409 0.923,410 2.776,411 1.32,412 0.464,413 0.512,415 0.717,416 0.394,417 1.579,418 0.744,419 2.752,420 1.281,421 0.409,422 0.463,424 0.673,425 0.353,426 1.21,427 0.295,428 2.618,429 1.119,430 0.155,431 0.159,433 0.276,434 0.149,435 0.988,436 0.183,437 2.279,438 0.741,439 -0.203,440 -0.229,442 -0.44,443 -0.191,444 13.6,445 0.469,446 0.498,447 0.017,448 32.75,449 1.129,450 14,451 0.483,452 18.75,453 0.647,454 27.943,455 0.964,456 34.4,457 0.546,458 23.742,459 0.819,460 6.478,461 0.223,462 7.609,463 0.262,464 0.184,466 0.25,472 0.931,473 1.717,474 0.95,475 1.467,476 0.916,477 1.243,478 1.382,479 1.128,480 0.99,481 0.98,482 1.026,483 0.932,484 1.105,485 0.951,486 1.024,487 0.912,488 0.934,489 0.931,490 0.797,491 1.224,492 1.046,493 1.256,494 0.831,495 1.199,496 0.796,497 0.951,498 0.936,499 0.968,500 0.883,501 0.972,502 0.886,503 0.958,504 0.87,505 0.871,506 0.866,507 0.869,508 1.077,509 1.107,510 1.057,511 1.026,512 1.134,513 1.026,514 0.94,515 0.866,516 0.956,517 0.831,518 1.034,519 0.877,520 6,521 0.157,522 2.444,523 1.563,524 1.156,525 0.868,526 0.386,527 0.333,528 0.234,529 0.236,530 11166,531 25032,532 1.957,533 54,535 19,537 1,538 1,540 13,542 1.715,543 1.832,544 3.741,545 -0.336,547 1,550 92.733,551 1.472,552 3.132,553 4.556,554 5.028,555 5.092,556 5.187,557 3.254,558 4.72,559 4.826,560 3.94,561 1599.68,562 8.385,563 23544.4,565 1,568 376.569,569 1.384,570 4.785,571 0.2,572 0.007,573 0.064,574 0.039,575 0.032,576 0.026,577 0.012,578 0.011,579 0.008,580 0.009,581 0.408,582 0.33,583 0.88,584 2.004,585 152.088,586 0.003,587 -0.36,588 0.065,589 -0.21,590 0.01,591 -0.082,592 -0.088,593 -0.004,594 0.061,595 0.045,596 0.098,597 0.069,598 0.044,599 0.156,600 0.007,601 0.079,602 0.124,603 0.052,604 0.07,605 -0.162,606 -0.076,607 -0.187,608 0.051,609 -0.157,610 0.087,612 0.029,614 0.054,615 0.005,616 0.037,617 -0.011,618 0.105,619 0.076,620 0.101,621 0.095,622 -0.094,623 -0.065,624 -0.059,625 -0.06,626 -0.064,627 -0.054,628 0.039,629 0.105,630 0.035,631 0.088,632 0.002,633 0.065,634 1.242,635 2.351,636 0.414,637 34.792,638 0.994,639 1.14,640 2.743,641 7.525,642 0.616,643 3.434,644 3.664,645 3.85,646 3.989,647 4.127,648 4.127,649 4.127,650 4.143,651 4.22,652 4.277,653 8.117,654 0.574,655 402.6,656 3.434,657 4.92,658 5.72,659 6.547,660 7.362,661 8.195,662 9.015,663 9.851,664 10.676,665 11.514,666 6.3,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 3,703 63,705 12,706 1,707 30,709 64,710 22,711 10,712 3,713 3,717 2,718 2,721 3,727 3,729 10,730 12,744 1,747 34,748 7,749 1,750 7,755 4,760 1,761 3,771 1,776 2,792 1,796 2,801 5,805 29,810 6,811 1,812 3,814 1,815 1,825 4.8,830 3,832 15.833,833 12.6,834 6.944,835 4.031,836 2.261,837 1.325,838 0.904,839 10.19,840 9.219,841 3.611,842 4.078,843 4.538,844 4.987,845 5.448,846 5.468,847 5.586,848 5.788,849 6.12,850 6.448,851 1,852 40,853 10.695,854 4.143,855 7.557,856 20.807,857 15.733,859 2.057,860 59.667,863 1,864 388.446,865 131.559,866 54.706,868 33,871 131.559,872 421.446,873 54.706,874 48.242,875 15.979,876 37.905,877 63.353,878 63.23,879 2.328,880 376.675,882 388.446,883 186.265,884 33,887 237.75,888 186.024,891 54.626,892 77.729,893 51.582,895 388.446,896 87.706,897 131.559,900 388.446,901 36.365,902 98.318,903 18.011,904 66.571,905 388.446,906 87.706,907 131.559,909 0.552,910 0.326,911 0.164,912 0.082,913 13,914 7,915 0.203,916 13,918 1,919 4.124,920 221.879,922 12,923 136.881,928 23.396,929 12.631,930 7.805,932 87.706,933 9.072,934 8.88,938 3.381,940 18.011,941 607.711,942 36,952 62.643,953 71.849,954 0.246,955 0.524,956 0.762,957 0.841,958 0.852,959 0.868,960 4.804,961 1.235,962 5.659,963 4.203,964 4.344,965 4.762,966 2.065,967 6.365,968 4.205,969 5.941,970 1.101,971 7.157,972 2.686,973 3.761,974 4.388,975 0.325,976 7.081,977 3.552,978 7.199,979 0.824,980 8.746,981 2.322,982 5.844,983 6.805,984 1.975,985 10.067,986 5.571,987 8.49,988 0.618,989 10.388,990 1.826,991 6.066,992 7.236,993 0.268,994 11.567,995 5.709,996 9.811,997 0.464,998 12.063,999 0.791,1000 7.572,1001 9.14,1002 2.021,1003 14.054,1004 7.169,1005 11.153,1006 0.409,1007 13.761,1008 0.717,1009 8.181,1010 9.961,1011 0.188,1012 15.907,1013 7.689,1014 12.511,1015 0.155,1016 15.474,1017 0.673,1018 9.434,1019 11.631,1020 2.142,1021 18.212,1022 8.9,1023 2.909,1024 -0.203,1025 17.2,1026 0.276,1027 10.245,1028 12.668,1029 0.125,1030 20.24,1031 9.625,1032 2.728,1033 9.17,1034 18.936,1035 -0.44,1036 11.381,1037 14.209,1038 2.317,1039 22.476,1040 10.716,1041 2.461,1042 7.89,1043 20.681,1044 3.912,1045 12.3,1046 15.37,1047 0.082,1048 24.592,1049 11.554,1050 2.34,1051 6.672,1052 22.434,1053 3.673,1054 13.382,1055 16.836,1056 2.527,1057 26.804,1058 12.587,1059 2.228,1060 6.572,1061 24.193,1062 2.863,1063 14.36,1064 18.071,1065 0.054,1066 28.964,1067 13.489,1068 1.907,1069 6.407,1070 25.959,1071 2.674,1072 15.419,1073 19.491,1074 2.761,1075 31.169,1076 14.494,1077 1.596,1078 5.182,1079 27.73,1080 2.45,1081 16.429,1082 20.772,1083 0.035,1084 33.352,1085 15.432,1086 11372,1087 17362,1088 19.474,1089 38.807,1090 41.809,1091 42.774,1092 44.519,1093 41.911,1094 41.952,1095 50.809,1096 8.142,1097 110.776,1098 39.013,1099 5.205,1100 5.248,1101 5.791,1102 4.93,1103 4.909,1104 6.912,1105 2.302,1106 15.461,1107 4.728,1108 16.644,1109 1.394,1110 1.426,1111 1.484,1112 1.397,1113 1.398,1114 1.694,1115 0.271,1116 3.693,1117 1.3,1118 3.953,1119 3.989,1120 3.903,1121 3.828,1122 5.032,1123 3.841,1124 3.862,1125 3.897,1126 3.807,1127 3.713,1128 4.925,1129 3.728,1130 3.769,1131 3.84,1132 3.64,1133 3.593,1134 4.599,1135 3.597,1136 3.598,1137 3.674,1138 3.443,1139 3.422,1140 4.44,1141 3.415,1142 3.326,1143 3.407,1144 3.197,1145 3.123,1146 4.348,1147 3.097,1148 3.306,1149 3.376,1150 3.085,1151 3.093,1152 4.246,1153 3.089,1154 3.27,1155 3.351,1156 3.04,1157 3.039,1158 4.043,1159 3.036,1160 3.221,1161 3.289,1162 3.012,1163 2.973,1164 3.919,1165 2.979,1166 0.142,1167 0.108,1168 0.206,1169 0.128,1170 0.097,1171 4.269,1172 0.13,1173 3.248,1174 0.038,1175 6.173,1176 0.306,1177 3.849,1178 0.091,1179 2.909,1180 3.912,1181 1.151,1182 9.17,1183 2.728,1184 1.867,1185 1.854,1186 2.021,1187 2.028,1188 1.34,1189 2.019,1190 1.814,1191 1.758,1192 1.956,1193 1.982,1194 1.125,1195 1.979,1196 1.728,1197 1.665,1198 1.909,1199 1.932,1200 1.05,1201 1.927,1202 1.592,1203 1.517,1204 1.818,1205 1.796,1206 0.899,1207 1.815,1208 1.351,1209 1.256,1210 1.725,1211 1.584,1212 0.869,1213 1.638,1214 1.291,1215 1.21,1216 1.636,1217 1.563,1218 0.824,1219 1.571,1220 1.234,1221 1.173,1222 1.589,1223 1.524,1224 0.597,1225 1.561,1226 1.183,1227 1.116,1228 1.547,1229 1.477,1230 0.581,1231 1.5,1232 4.111,1233 5.361,1235 6.804,1237 8.331,1239 9.902,1241 9.813,1247 5.85,1248 3.461,1249 16.422,1251 0.343,1252 2.445,1257 36.132,1258 92.733,1259 197.334,1260 287.02,1261 316.794,1262 320.794,1263 326.794,1264 56.929,1265 6.958,1266 68.74,1267 68.74,1268 12,1269 12.084,1270 3.7,1271 2.807,1272 65.897,1273 141,1274 134,1275 0.224,1276 228.617,1277 397.17,1278 549.585,1279 10160,1281 21.062,1282 0.726,1283 0.63,1284 21.062,1285 18.273,1286 14.088,1287 0.47,1288 0.342,1289 10.05,1290 13.329,1291 9.657,1292 8.169,1293 14.088,1294 10.247,1295 11.446,1296 0.301,1297 0.181,1298 11.446,1299 6.878,1300 9.387,1301 0.204,1302 0.105,1303 9.387,1304 4.833,1305 7.142,1306 0.135,1307 0.058,1308 7.142,1309 3.071,1310 5.22,1311 0.086,1312 0.029,1313 5.22,1314 1.748,1315 0.365,1316 89.547,1317 0.227,1318 28.383,1319 0.576,1320 136,1321 410.475,1322 153.321,1323 381.395,1324 520.09,1325 362,1326 152,1327 375.912,1328 169.516,1329 378.095,1330 543.73,1331 352,1332 4.523}
{0 CHEMBL288256,1 1.723,2 14.361,3 3.284,4 10.785,5 144.536,6 7.772,7 0.158,8 4.345,9 4.469,10 3.963,11 3.865,12 5.343,13 3.808,14 4.954,15 5.146,16 4.362,17 4.288,18 5.926,19 4.189,20 5.239,21 5.461,22 4.447,23 4.458,24 6.199,25 4.317,26 5.301,27 5.547,28 4.564,29 4.458,30 6.275,31 4.298,32 5.237,33 5.48,34 4.444,35 4.368,36 6.378,37 4.251,38 5.196,39 5.416,40 4.461,41 4.365,42 6.31,43 4.248,44 5.193,45 5.404,46 4.403,47 4.326,48 6.374,49 4.226,50 5.137,51 5.342,52 4.42,53 4.311,54 6.384,55 4.194,56 0.059,57 1.024,58 15.8,59 7.034,60 8.177,61 9.258,62 0.5,63 1.661,64 36.611,65 12.188,66 41.716,67 16.215,68 0.785,69 1.961,70 54.341,71 16.777,72 79.45,73 21.767,74 0.846,75 1.997,76 69.041,77 18.196,78 92.303,79 23.496,80 0.989,81 1.889,82 54.546,83 15.802,84 137.825,85 21.125,86 0.798,87 1.784,88 57.496,89 15.817,90 96.594,91 20.255,92 0.982,93 1.746,94 53.582,95 14.678,96 121.081,97 18.639,98 1,99 1.669,100 52.716,101 14.98,102 146.539,103 18.954,104 56,105 51,106 0.272,107 0.541,108 0.773,109 0.85,110 0.863,111 0.863,112 3.615,113 1.12,114 -3.59,115 -3.56,116 -3.4,119 34.7,120 2,121 3,122 1,125 8,127 1,128 1,138 3,139 1,140 2,151 3,163 5,165 1,166 4,169 2,171 3,172 12,175 2,176 4,179 1,181 1,183 4,187 7,190 1,192 3,194 8,197 3,198 6,201 3,203 2,205 2,208 1,209 9,214 3,217 7,220 1,221 7,224 1,226 4,227 3,230 1,231 6,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 5,252 3128,253 23.758,254 23.758,255 23.758,256 23.758,257 23.758,258 22.539,259 28.869,260 14.38,261 24.581,262 18.766,263 18.766,264 18.766,265 18.766,266 18.766,267 16.777,268 30.809,269 6.909,270 20.148,271 4.447,272 2.753,273 1.281,274 0.799,275 0.715,276 0.715,277 4.294,279 2,283 1,284 1070,285 4.69,287 119.458,288 278.973,295 2.235,296 50.084,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 78.667,308 517,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.109,319 3.667,320 6.204,321 3.74,322 2.796,323 3.387,324 1.963,325 9.037,326 2.621,327 3.7,328 3.615,329 5.51,330 3.455,331 2.525,332 2.875,333 1.907,334 7.116,335 2.409,336 3.594,337 3.51,338 5.34,339 3.426,340 2.454,341 2.812,342 1.859,343 6.965,344 2.312,345 3.516,346 3.259,347 5.135,348 3.287,349 2.298,350 2.717,351 0.901,352 6.215,353 2.261,354 3.487,355 3.002,356 5.005,357 3.183,358 2.211,359 2.519,360 0.86,361 5.918,362 2.169,363 3.207,364 2.885,365 4.817,366 3.058,367 2.119,368 2.21,369 0.8,370 5.215,371 1.881,372 2.979,373 2.649,374 4.651,375 2.657,376 1.758,377 2.087,378 0.215,379 4.996,380 1.555,381 2.742,382 2.237,383 4.577,384 2.519,385 1.614,386 1.755,387 0.149,388 4.404,389 1.439,390 2.611,391 2.176,392 3.999,393 2.415,394 1.532,395 1.605,397 3.309,398 1.275,399 2.562,400 1.819,401 3.715,402 2.181,403 1.264,404 1.517,406 3.125,407 1.141,408 2.311,409 1.681,410 3.477,411 2.117,412 1.174,413 1.296,415 2.706,416 1.072,417 2.096,418 1.678,419 3.297,420 1.979,421 1.011,422 1.053,424 2.142,425 0.964,426 2,427 1.444,428 3.247,429 1.952,430 1,431 1,433 2.136,434 0.946,435 1.701,436 1.256,437 3.075,438 1.433,439 0.478,440 0.515,442 1.146,443 0.447,444 17.695,445 0.492,446 0.932,447 0.026,448 33.75,449 0.938,450 10.5,451 0.292,452 23.25,453 0.646,454 45.579,455 1.266,456 42.305,457 0.588,458 27.215,459 0.756,460 6.039,461 0.168,462 11.201,463 0.311,464 0.194,466 0.3,472 0.695,473 1.539,474 0.669,475 1.086,476 0.529,477 1.061,478 0.846,479 1.195,480 0.833,481 0.99,482 0.55,483 0.977,484 1.028,485 1.013,486 0.97,487 0.983,488 1.026,489 1.009,490 0.906,491 1.036,492 0.846,493 0.986,494 1.082,495 0.927,496 0.838,497 0.949,498 0.742,499 0.867,500 0.947,501 0.81,502 1.109,503 1.084,504 0.935,505 1.018,506 1.276,507 0.962,508 1.481,509 0.973,510 1.034,511 0.951,512 1.821,513 0.943,514 1.11,515 1.072,516 1.058,517 1.082,518 1.39,519 1.025,520 7.5,521 0.251,522 3.556,523 2.764,524 1.899,525 1.581,526 0.869,527 0.765,528 0.437,529 0.378,530 19359,531 54543,532 1.978,533 50,534 7,535 20,536 1,538 2,539 2,540 2,541 2,542 1.778,543 1.831,544 3.753,545 0.231,550 124.021,551 1.723,552 3.417,553 4.889,554 5.371,555 5.455,556 5.455,557 3.256,558 4.892,559 5.13,560 3.981,561 2508.21,562 9.049,563 41844.6,568 444.235,569 1.482,570 5.086,571 0.197,572 0.006,573 0.07,574 0.054,575 0.038,576 0.03,577 0.017,578 0.016,579 0.009,580 0.009,581 0.446,582 0.33,583 0.75,584 1.465,585 198.751,586 -0.036,587 -0.208,588 0.034,589 -0.039,590 -0.01,591 -0.014,592 0.001,593 0.006,594 0.024,595 0.048,596 0.047,597 0.016,598 -0.072,599 0.054,600 -0.023,601 0.035,602 -0.086,603 -0.021,604 0.019,605 -0.03,606 0.165,607 0.058,608 -0.027,609 0.068,610 0.165,611 0.067,612 0.141,613 0.109,614 0.201,615 0.152,616 -0.017,617 -0.064,618 0.054,619 -0.011,620 -0.004,621 0.018,622 -0.148,623 0.054,624 -0.053,625 0.026,626 -0.139,627 -0.004,628 0.1,629 -0.052,630 -0.002,631 -0.051,632 0.122,633 -0.045,634 1.921,635 6.314,636 0.472,637 51.37,638 1.006,639 1.135,640 2.36,641 5.57,642 0.655,643 3.664,644 3.951,645 4.143,646 4.382,647 4.575,648 4.654,649 4.736,650 4.812,651 4.868,652 4.844,653 8.46,654 0.608,655 559.62,656 3.664,657 5.187,658 6.004,659 6.864,660 7.708,661 8.581,662 9.443,663 10.325,664 11.2,665 12.09,666 5.6,669 1,673 3,681 3,686 3,688 6,702 2,703 72,705 9,706 1,707 38,709 74,710 25,711 6,712 3,713 3,717 3,718 3,719 2,721 2,724 1,727 4,729 9,730 16,731 1,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 2,783 2,784 1,792 1,795 1,796 3,797 1,799 1,801 2,802 2,805 36,810 11,811 2,812 1,813 1,814 3,815 2,824 2,825 5.6,828 3,829 1,832 19.667,833 13.019,834 8.056,835 4.539,836 1.024,837 1.136,838 0.919,839 12.132,840 8.563,841 3.807,842 4.227,843 4.557,844 4.941,845 5.348,846 5.466,847 5.606,848 5.866,849 6.06,850 6.08,851 0.9,852 51,853 13.518,854 5.734,855 7.835,856 25.835,857 21.146,859 2.335,860 84.056,864 400.217,865 132.022,866 42.27,867 78.297,868 86.435,870 32.22,871 99.802,872 564.949,873 42.27,874 17.65,875 68.568,876 28.429,877 100.549,878 13.311,879 11.771,880 420.666,881 78.297,882 400.217,883 142.073,884 86.435,885 110.517,887 353.133,888 122.519,889 11,891 89.343,892 52.729,893 78.297,894 32.22,895 400.217,896 128.705,897 210.319,900 400.217,901 85.943,902 52.328,903 36.022,904 164.732,905 400.217,906 128.705,907 210.319,909 0.572,910 0.312,911 0.164,912 0.092,913 20,914 11,915 0.162,916 12,918 1,919 4.627,920 320.353,922 17,923 180.117,924 1,928 29.529,929 14.791,930 9.351,932 128.705,933 5.108,938 1.608,940 36.022,941 739.242,942 44,946 38.564,950 -0.64,952 72.461,953 81.697,954 0.279,955 0.554,956 0.792,957 0.871,958 0.884,959 0.884,960 5.059,961 1.758,962 5.979,963 5.215,964 4.635,965 4.913,966 3.934,967 6.746,968 4.497,969 6.197,970 1.614,971 7.513,972 4.996,973 4.205,974 4.677,975 2.909,976 7.588,977 3.988,978 7.463,979 1.532,980 9.148,981 4.404,982 6.18,983 6.818,984 6.085,985 10.7,986 5.92,987 8.756,988 1.264,989 10.846,990 3.309,991 6.553,992 7.379,993 5.238,994 12.441,995 6.205,996 10.084,997 1.174,998 12.588,999 3.125,1000 8.019,1001 9.063,1002 8.608,1003 15.101,1004 7.623,1005 11.435,1006 1.011,1007 14.362,1008 2.706,1009 8.788,1010 9.994,1011 7.914,1012 17.24,1013 8.292,1014 12.806,1015 1,1016 16.161,1017 2.142,1018 10.051,1019 11.509,1020 11.213,1021 19.748,1022 9.498,1023 3.266,1024 0.478,1025 17.982,1026 2.136,1027 11.023,1028 12.629,1029 10.72,1030 22.057,1031 10.365,1032 2.796,1033 11.459,1034 19.82,1035 1.146,1036 12.211,1037 14.072,1038 13.839,1039 24.514,1040 11.483,1041 2.525,1042 9.037,1043 21.673,1044 3.947,1045 13.284,1046 15.295,1047 13.531,1048 26.895,1049 12.454,1050 2.454,1051 7.116,1052 23.537,1053 3.387,1054 14.449,1055 16.704,1056 16.47,1057 29.336,1058 13.541,1059 2.298,1060 6.965,1061 25.412,1062 2.875,1063 15.572,1064 17.986,1065 16.323,1066 31.747,1067 14.567,1068 2.211,1069 6.215,1070 27.294,1071 2.812,1072 16.735,1073 19.377,1074 19.103,1075 34.184,1076 15.646,1077 2.119,1078 5.918,1079 29.184,1080 2.717,1081 17.883,1082 20.694,1083 19.094,1084 36.609,1085 16.702,1086 19148,1087 32446,1088 24.561,1089 47.148,1090 56,1091 60.722,1092 57.49,1093 55.818,1094 55.478,1095 63.144,1096 24.875,1097 152.879,1098 51.451,1099 5.432,1100 6.788,1101 6.677,1102 5.33,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 21.732,1109 1.474,1110 1.598,1111 1.513,1112 1.469,1113 1.46,1114 1.662,1115 0.655,1116 4.023,1117 1.354,1118 3.987,1119 4.011,1120 4.166,1121 3.934,1122 7.435,1123 3.912,1124 3.835,1125 3.893,1126 3.96,1127 3.691,1128 7.427,1129 3.681,1130 3.79,1131 3.842,1132 3.71,1133 3.617,1134 7.422,1135 3.62,1136 3.732,1137 3.777,1138 3.626,1139 3.605,1140 5.014,1141 3.586,1142 3.623,1143 3.677,1144 3.575,1145 3.411,1146 4.63,1147 3.425,1148 3.483,1149 3.543,1150 3.539,1151 3.275,1152 4.627,1153 3.284,1154 3.327,1155 3.38,1156 3.39,1157 3.129,1158 4.3,1159 3.126,1160 3.136,1161 3.21,1162 3.24,1163 2.973,1164 4.225,1165 2.952,1166 0.117,1167 0.126,1168 0.181,1169 0.11,1170 0.086,1171 4.432,1172 0.104,1173 4.788,1174 0.1,1175 6.875,1176 0.302,1177 4.19,1178 0.079,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.896,1185 1.882,1186 2.015,1187 2.003,1188 1.306,1189 2.002,1190 1.769,1191 1.709,1192 1.987,1193 1.961,1194 1.299,1195 1.972,1196 1.765,1197 1.7,1198 1.944,1199 1.949,1200 1.176,1201 1.97,1202 1.64,1203 1.602,1204 1.825,1205 1.857,1206 1.105,1207 1.85,1208 1.578,1209 1.525,1210 1.784,1211 1.791,1212 1.086,1213 1.798,1214 1.437,1215 1.38,1216 1.651,1217 1.667,1218 0.869,1219 1.67,1220 1.283,1221 1.213,1222 1.575,1223 1.515,1224 0.825,1225 1.544,1226 1.153,1227 1.09,1228 1.513,1229 1.376,1230 0.801,1231 1.429,1232 4.344,1233 5.638,1234 2.398,1235 7.104,1236 4.844,1237 8.656,1238 7.018,1239 10.261,1241 4.184,1242 12.527,1247 6.938,1248 5.82,1249 5.359,1250 1.347,1251 -0.586,1252 3.828,1257 43.742,1258 124.021,1259 246.025,1260 351.996,1261 386.725,1262 392.725,1263 392.725,1264 122.773,1265 7.539,1266 90.98,1267 116.28,1268 17,1269 12.623,1270 3.322,1271 2.807,1272 73.494,1273 170,1274 212,1275 0.196,1276 281.793,1277 505.33,1278 679.336,1279 19607,1280 2.8,1281 26.079,1282 0.724,1283 0.646,1284 27.432,1285 23.262,1286 17.24,1287 0.454,1288 0.373,1289 12.449,1290 15.528,1291 11.987,1292 9.866,1293 18.226,1294 14.185,1295 15.537,1296 0.305,1297 0.228,1298 16.932,1299 11.635,1300 11.734,1301 0.189,1302 0.132,1303 13.187,1304 8.194,1305 9.489,1306 0.12,1307 0.078,1308 11.325,1309 6.198,1310 7.343,1311 0.076,1312 0.043,1313 8.665,1314 4.176,1315 0.311,1316 118.664,1317 0.202,1318 33.455,1319 0.527,1320 178,1321 554.165,1322 253.01,1323 598.042,1324 764.33,1325 556,1326 202,1327 460.99,1328 266.848,1329 492.226,1330 722.98,1331 462,1332 4.721}
{0 CHEMBL288655,1 1.69,2 17.977,3 4.806,4 23.093,5 175.863,6 8.196,7 0.375,8 4.467,9 4.578,10 4.137,11 4.056,12 5.523,13 4.009,14 5.039,15 5.201,16 4.53,17 4.474,18 6.074,19 4.391,20 5.321,21 5.52,22 4.616,23 4.635,24 6.325,25 4.514,26 5.372,27 5.589,28 4.694,29 4.629,30 6.395,31 4.488,32 5.354,33 5.585,34 4.59,35 4.561,36 6.495,37 4.446,38 5.319,39 5.532,40 4.575,41 4.53,42 6.428,43 4.414,44 5.286,45 5.499,46 4.542,47 4.47,48 6.44,49 4.373,50 5.223,51 5.417,52 4.562,53 4.451,54 6.489,55 4.349,56 0.055,57 1.126,58 15.236,59 7.6,60 10.328,61 9.516,62 0.467,63 1.905,64 34.913,65 13.377,66 40.43,67 16.652,68 0.734,69 2.323,70 54,71 18.87,72 81.846,73 23.257,74 0.789,75 2.401,76 68.125,77 20.517,78 95.41,79 25.162,80 0.913,81 2.342,82 57.716,83 19.466,84 138.138,85 24.946,86 0.814,87 2.196,88 61.077,89 18.792,90 107.927,91 22.964,92 0.911,93 2.125,94 54.566,95 17.013,96 117.007,97 20.671,98 0.959,99 2.003,100 54.637,101 17.021,102 145.853,103 20.319,104 26,105 65,106 0.257,107 0.547,108 0.734,109 0.847,110 0.869,111 0.869,112 3.81,113 1.029,114 -4.65,115 -4.57,116 -4.3,119 41.3,121 2,125 8,127 1,128 1,138 12,139 4,140 2,151 3,163 15,165 1,166 4,169 2,171 3,172 25,175 2,176 4,179 1,181 2,183 18,187 7,190 1,192 3,194 18,197 3,198 7,201 3,203 3,205 11,208 1,209 9,214 4,217 11,220 1,221 8,224 1,226 6,227 6,230 1,231 9,234 2,235 1,236 5,238 7,241 2,242 9,247 2,249 9,252 5174,253 29.844,254 29.844,255 29.844,256 29.844,257 29.844,258 27.213,259 30.676,260 17.985,261 30.658,262 23.72,263 23.72,264 23.72,265 23.72,266 23.72,267 19.704,268 34.804,269 8.63,270 25.095,271 4.632,272 2.721,273 1.491,274 0.744,275 0.6,276 0.6,277 4.512,279 2,283 1,284 1711,285 4.416,287 147.094,288 713.321,295 2.841,296 52.271,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 94.667,308 791,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.244,319 3.669,320 6.204,321 3.87,322 2.871,323 3.889,324 1.963,325 9.055,326 2.869,327 4.109,328 3.615,329 6.143,330 3.741,331 2.796,332 3.388,333 1.909,334 9.037,335 2.623,336 3.821,337 3.513,338 5.513,339 3.494,340 2.526,341 3.305,342 1.859,343 7.164,344 2.464,345 3.678,346 3.259,347 5.341,348 3.442,349 2.504,350 2.87,351 0.901,352 6.966,353 2.367,354 3.583,355 3.002,356 5.339,357 3.375,358 2.386,359 2.812,360 0.86,361 6.903,362 2.302,363 3.516,364 2.899,365 5.133,366 3.232,367 2.256,368 2.718,369 0.8,370 6.215,371 2.207,372 3.482,373 2.885,374 4.982,375 3.058,376 2.128,377 2.565,378 0.561,379 5.851,380 1.883,381 3.257,382 2.65,383 4.804,384 2.812,385 1.821,386 2.519,387 0.215,388 5.054,389 1.807,390 2.979,391 2.62,392 4.589,393 2.647,394 1.738,395 2.088,397 4.506,398 1.549,399 2.742,400 2.176,401 4.44,402 2.519,403 1.614,404 1.76,406 4.389,407 1.435,408 2.646,409 1.862,410 3.999,411 2.409,412 1.527,413 1.706,415 3.308,416 1.273,417 2.61,418 1.819,419 3.715,420 2.187,421 1.262,422 1.604,424 3.125,425 1.179,426 2.561,427 1.68,428 3.513,429 2.17,430 1.181,431 1.514,433 2.728,434 1.136,435 2.5,436 1.678,437 3.472,438 2.111,439 1.172,440 1.5,442 2.699,443 1.059,444 21.695,445 0.493,446 0.976,447 0.022,448 50.75,449 1.153,450 22.5,451 0.511,452 28.25,453 0.642,454 48.827,455 1.11,456 47.905,457 0.599,458 43.655,459 0.992,460 9.87,461 0.224,462 11.499,463 0.261,464 0.112,466 0.29,472 0.681,473 1.299,474 0.638,475 0.955,476 0.525,477 0.926,478 0.871,479 1.114,480 0.863,481 0.969,482 0.588,483 0.962,484 1.042,485 0.989,486 0.997,487 0.985,488 1.053,489 1.006,490 0.965,491 1.065,492 0.938,493 1.057,494 1.148,495 1.022,496 0.751,497 0.977,498 0.749,499 0.922,500 0.854,501 0.865,502 1.14,503 1.059,504 0.97,505 1.025,506 1.334,507 0.992,508 1.369,509 0.937,510 0.95,511 0.885,512 1.629,513 0.894,514 1.139,515 1.101,516 1.108,517 1.12,518 1.385,519 1.019,520 8,521 0.355,522 4.444,523 2.826,524 2.193,525 1.754,526 1.069,527 0.82,528 0.521,529 0.424,530 38713,531 107027,532 2.084,533 45,535 29,536 1,538 2,539 2,541 2,542 1.823,543 1.97,544 4.067,545 0.126,550 135.172,551 1.69,552 3.601,553 4.831,554 5.578,555 5.722,556 5.722,557 3.59,558 5.05,559 5.422,560 4.294,561 4062.38,562 9.615,563 80505.5,568 505.754,569 1.325,570 5.399,571 0.167,572 0.006,573 0.068,574 0.043,575 0.035,576 0.027,577 0.018,578 0.014,579 0.009,580 0.008,581 0.395,582 0.17,583 0.63,584 0.481,585 260.292,586 -0.034,587 -0.119,588 0.033,589 -0.006,590 -0.014,591 0.013,592 -0.015,593 0.039,594 -0.022,595 0.025,596 0.016,597 -0.021,598 -0.074,599 0.056,600 -0.047,601 0.022,602 -0.097,603 -0.034,604 -0.011,605 -0.045,606 0.086,607 -0.014,608 -0.061,609 -0.029,610 0.205,611 0.022,612 0.143,613 0.068,614 0.233,615 0.12,616 -0.024,617 -0.065,618 0.024,619 -0.032,620 -0.036,621 -0.019,622 -0.085,623 0.073,624 0.02,625 0.07,626 -0.089,627 0.046,628 0.119,629 -0.089,630 -0.015,631 -0.089,632 0.149,633 -0.055,634 1.985,635 6.579,636 0.659,637 74.062,638 1.006,639 1.121,640 3.424,641 11.722,642 0.689,643 3.892,644 4.19,645 4.431,646 4.673,647 4.89,648 4.927,649 5.037,650 5.112,651 5.182,652 5.204,653 10.311,654 0.647,655 655.7,656 3.892,657 5.425,658 6.26,659 7.122,660 7.976,661 8.847,662 9.712,663 10.589,664 11.463,665 12.345,666 5,669 1,673 3,681 12,686 6,688 18,702 2,703 80,705 21,706 3,707 48,709 84,710 33,711 18,712 6,713 12,717 5,718 5,719 2,724 1,727 3,729 21,730 12,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 4,783 2,784 1,792 1,795 1,796 5,797 1,799 1,802 2,805 44,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5,828 3,829 1,832 22.333,833 13.936,834 9.75,835 4.81,836 2.6,837 1.31,838 0.968,839 12.014,840 10.999,841 4.111,842 4.61,843 5.064,844 5.531,845 6.027,846 6.125,847 6.412,848 6.694,849 6.942,850 7.068,851 1,852 66,853 16.459,854 7.099,855 7.778,856 31.426,857 26.067,859 2.278,860 100.222,864 400.217,865 206.68,866 42.27,867 78.297,868 86.435,870 32.22,871 174.46,872 564.949,873 42.27,875 66.034,876 113.715,877 100.549,878 22.868,879 11.771,880 420.666,881 78.297,882 400.217,883 216.731,884 86.435,885 110.517,887 376.675,888 98.977,889 11,891 69.158,892 147.572,893 78.297,894 32.22,895 400.217,896 128.705,897 284.977,900 400.217,901 92.965,902 119.964,903 36.022,904 164.732,905 400.217,906 128.705,907 284.977,909 0.574,910 0.328,911 0.176,912 0.099,913 28,914 13,915 0.143,916 12,918 1,919 5.439,920 433.143,922 29,923 228.215,924 1,928 32.798,929 16.118,930 9.229,932 128.705,933 23.206,938 4.744,940 36.022,941 813.9,942 60,946 39.477,950 -0.754,952 80.461,953 89.697,954 0.267,955 0.57,956 0.764,957 0.882,958 0.905,959 0.905,960 5.349,961 2.128,962 6.225,963 6.215,964 4.875,965 5.298,966 3.944,967 6.997,968 4.769,969 6.508,970 1.821,971 7.757,972 5.851,973 4.369,974 4.956,975 2.909,976 7.823,977 4.189,978 7.783,979 1.738,980 9.391,981 5.054,982 6.428,983 7.32,984 6.086,985 10.934,986 6.231,987 9.087,988 1.614,989 11.088,990 4.506,991 6.758,992 7.774,993 5.238,994 12.651,995 6.484,996 10.424,997 1.527,998 12.826,999 4.389,1000 8.265,1001 9.636,1002 8.608,1003 15.287,1004 7.969,1005 11.783,1006 1.262,1007 14.595,1008 3.308,1009 9.002,1010 10.471,1011 7.914,1012 17.396,1013 8.621,1014 13.16,1015 1.181,1016 16.388,1017 3.125,1018 10.282,1019 12.112,1020 11.213,1021 19.879,1022 9.867,1023 3.266,1024 1.172,1025 18.2,1026 2.728,1027 11.226,1028 13.156,1029 10.72,1030 22.164,1031 10.723,1032 2.871,1033 11.459,1034 20.028,1035 2.699,1036 12.414,1037 14.68,1038 13.839,1039 24.602,1040 11.862,1041 2.796,1042 9.055,1043 21.869,1044 3.947,1045 13.464,1046 15.849,1047 13.531,1048 26.965,1049 12.824,1050 2.526,1051 9.037,1052 23.722,1053 3.889,1054 14.621,1055 17.306,1056 16.47,1057 29.392,1058 13.919,1059 2.504,1060 7.164,1061 25.583,1062 3.388,1063 15.725,1064 18.55,1065 16.323,1066 31.792,1067 14.935,1068 2.386,1069 6.966,1070 27.453,1071 3.305,1072 16.876,1073 19.969,1074 19.103,1075 34.22,1076 16.015,1077 2.256,1078 6.903,1079 29.33,1080 2.87,1081 18.009,1082 21.259,1083 19.094,1084 36.637,1085 17.06,1086 36281,1087 60642,1088 32.304,1089 55.148,1090 71.391,1091 75.863,1092 72.37,1093 71.14,1094 70.744,1095 86.934,1096 25.703,1097 196.314,1098 66.712,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 20.531,1109 1.487,1110 1.58,1111 1.508,1112 1.482,1113 1.474,1114 1.811,1115 0.535,1116 4.09,1117 1.39,1118 4.029,1119 4.056,1120 4.168,1121 3.977,1122 7.435,1123 3.968,1124 3.963,1125 3.983,1126 3.965,1127 3.919,1128 7.427,1129 3.901,1130 3.829,1131 3.89,1132 3.941,1133 3.711,1134 7.422,1135 3.704,1136 3.792,1137 3.826,1138 3.708,1139 3.67,1140 5.015,1141 3.658,1142 3.748,1143 3.779,1144 3.695,1145 3.615,1146 4.838,1147 3.616,1148 3.629,1149 3.68,1150 3.581,1151 3.413,1152 4.629,1153 3.43,1154 3.49,1155 3.543,1156 3.546,1157 3.285,1158 4.627,1159 3.296,1160 3.325,1161 3.37,1162 3.434,1163 3.14,1164 4.609,1165 3.137,1166 0.092,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.432,1172 0.082,1173 4.788,1174 0.079,1175 6.875,1176 0.239,1177 4.19,1178 0.063,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.997,1185 1.974,1186 2.099,1187 2.063,1188 1.299,1189 2.076,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.226,1195 2.002,1196 1.785,1197 1.752,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.765,1203 1.701,1204 1.927,1205 1.902,1206 1.108,1207 1.91,1208 1.645,1209 1.612,1210 1.824,1211 1.854,1212 1.088,1213 1.847,1214 1.58,1215 1.527,1216 1.773,1217 1.783,1218 1.011,1219 1.788,1220 1.437,1221 1.381,1222 1.64,1223 1.662,1224 0.868,1225 1.665,1226 1.26,1227 1.211,1228 1.513,1229 1.476,1230 0.825,1231 1.481,1232 4.575,1233 5.878,1234 2.398,1235 7.365,1236 4.844,1237 8.934,1238 7.018,1239 10.551,1242 12.651,1247 5.66,1248 5.879,1249 5.382,1250 1.328,1251 -1.17,1252 3.821,1257 51.742,1258 135.172,1259 288.098,1260 386.47,1261 446.244,1262 457.754,1263 457.754,1264 116.05,1265 8.399,1266 90.98,1267 116.28,1268 29,1269 12.882,1270 4.459,1271 3.7,1272 74.013,1273 263,1274 300,1275 0.128,1276 326.181,1277 581.37,1278 787.641,1279 63020,1280 2.5,1281 30.89,1282 0.702,1283 0.606,1284 32.244,1285 26.674,1286 21.368,1287 0.445,1288 0.343,1289 14.722,1290 19.659,1291 14.294,1292 11.691,1293 22.354,1294 16.458,1295 18.968,1296 0.292,1297 0.199,1298 20.363,1299 12.942,1300 15.531,1301 0.187,1302 0.117,1303 16.984,1304 9.701,1305 12.689,1306 0.12,1307 0.069,1308 14.524,1309 7.344,1310 10.284,1311 0.078,1312 0.038,1313 11.605,1314 5.076,1315 0.208,1316 143.433,1317 0.176,1318 39.678,1319 0.335,1320 226,1321 668.165,1322 301.01,1323 717.52,1324 938.28,1325 670,1326 261,1327 594.99,1328 326.014,1329 632.534,1330 927.96,1331 596,1332 5.602}
{0 CHEMBL288800,1 1.683,2 16.558,3 4.465,4 19.937,5 174.152,6 8.034,7 0.362,8 4.465,9 4.584,10 4.12,11 4.044,12 5.497,13 3.992,14 5.047,15 5.227,16 4.526,17 4.477,18 6.047,19 4.39,20 5.336,21 5.54,22 4.627,23 4.661,24 6.316,25 4.536,26 5.434,27 5.663,28 4.701,29 4.662,30 6.418,31 4.511,32 5.397,33 5.645,34 4.576,35 4.559,36 6.498,37 4.435,38 5.322,39 5.545,40 4.565,41 4.515,42 6.421,43 4.397,44 5.304,45 5.525,46 4.553,47 4.478,48 6.466,49 4.382,50 5.244,51 5.438,52 4.578,53 4.476,54 6.509,55 4.367,56 0.037,57 1.168,58 15.955,59 7.51,60 8.641,61 9.744,62 0.436,63 1.978,64 36.389,65 13.077,66 35.885,67 17.107,68 0.617,69 2.399,70 54.676,71 19.039,72 72.287,73 24.111,74 0.761,75 2.519,76 72.607,77 21.704,78 92.946,79 27.303,80 0.906,81 2.419,82 61.324,83 19.704,84 135.93,85 25.962,86 0.76,87 2.195,88 62.052,89 18.378,90 100.531,91 23.01,92 0.839,93 2.131,94 56.294,95 17.189,96 114.575,97 21.293,98 0.943,99 2.02,100 55.591,101 17.387,102 152.057,103 20.979,104 37,105 65,106 0.256,107 0.536,108 0.731,109 0.847,110 0.884,111 0.891,112 3.787,113 1.04,114 -4.54,115 -4.47,116 -4.21,119 40,121 2,124 1,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 23,175 2,176 4,179 1,181 2,183 16,187 7,190 1,192 4,194 14,197 3,198 7,201 3,203 5,205 5,208 1,209 10,214 4,217 8,220 1,221 10,224 1,226 4,227 7,230 1,231 9,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 4843,253 28.93,254 28.93,255 28.93,256 28.93,257 28.93,258 26.424,259 32.328,260 17.17,261 29.703,262 23.197,263 23.197,264 23.197,265 23.197,266 23.197,267 19.328,268 38.478,269 8.198,270 24.519,271 4.639,272 2.794,273 1.516,274 0.753,275 0.509,276 0.459,277 4.489,279 2,283 1,284 1542,285 4.472,287 135.963,288 605.415,292 236.983,295 2.783,296 49.965,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 92.167,308 712,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.541,340 2.619,341 2.947,342 1.859,343 7.156,344 2.419,345 3.624,346 3.259,347 5.412,348 3.437,349 2.452,350 2.839,351 0.901,352 7.121,353 2.395,354 3.594,355 3.104,356 5.22,357 3.279,358 2.292,359 2.812,360 0.8,361 6.316,362 2.253,363 3.509,364 3.001,365 5.132,366 3.104,367 2.174,368 2.696,369 0.8,370 6.216,371 2.066,372 3.45,373 2.944,374 4.984,375 3.03,376 2.111,377 2.616,378 0.561,379 5.817,380 1.925,381 3.118,382 2.649,383 4.889,384 3.019,385 2.046,386 2.427,387 0.215,388 5.693,389 1.877,390 3.114,391 2.485,392 4.805,393 2.637,394 1.74,395 2.115,397 5.046,398 1.618,399 2.979,400 2.29,401 4.589,402 2.618,403 1.618,404 2.087,406 4.404,407 1.52,408 2.771,409 1.819,410 4.162,411 2.44,412 1.564,413 1.904,415 3.792,416 1.332,417 2.735,418 1.693,419 3.999,420 2.33,421 1.357,422 1.749,424 3.128,425 1.278,426 2.563,427 1.679,428 3.602,429 2.274,430 1.274,431 1.518,433 2.933,434 1.261,435 2.434,436 1.618,437 3.586,438 2.115,439 1.174,440 1.416,442 2.845,443 1.066,444 21.262,445 0.494,446 1.065,447 0.025,448 48.5,449 1.128,450 20.5,451 0.477,452 28,453 0.651,454 49.521,455 1.152,456 47.138,457 0.589,458 41.764,459 0.971,460 9.331,461 0.217,462 11.447,463 0.266,464 0.138,466 0.315,472 0.666,473 1.385,474 0.647,475 0.973,476 0.51,477 0.95,478 0.791,479 1.073,480 0.838,481 0.917,482 0.531,483 0.913,484 1.017,485 0.996,486 0.987,487 1.012,488 1.02,489 1.029,490 0.984,491 1.081,492 0.903,493 1.059,494 1.092,495 1.024,496 0.771,497 0.974,498 0.733,499 0.903,500 0.822,501 0.849,502 1.202,503 1.037,504 0.956,505 1.009,506 1.326,507 0.966,508 1.474,509 0.864,510 0.917,511 0.855,512 1.691,513 0.848,514 1.275,515 1.073,516 1.091,517 1.103,518 1.567,519 1.025,520 8.5,521 0.381,522 4.889,523 3.139,524 2.486,525 1.65,526 1.052,527 0.839,528 0.517,529 0.457,530 34876,531 91563,532 2.072,533 46.3,535 30,536 1,538 2,539 2,541 2,542 1.819,543 1.94,544 3.938,545 0.137,550 134.64,551 1.683,552 3.527,553 4.806,554 5.569,555 5.812,556 5.862,557 3.474,558 5.147,559 5.391,560 4.183,561 3777.33,562 9.559,563 72269.2,568 505.754,569 1.406,570 5.357,571 0.181,572 0.007,573 0.075,574 0.047,575 0.04,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.425,582 0.17,583 0.63,584 0.523,585 251.033,586 -0.031,587 -0.169,588 0.036,589 -0.013,590 -0.01,591 0.007,592 0.007,593 0.112,594 0.005,595 0.073,596 0.041,597 0.034,598 -0.071,599 0.062,600 -0.051,601 -0.004,602 -0.085,603 -0.052,604 0.009,605 -0.087,606 0.097,607 -0.023,608 -0.041,609 -0.029,610 0.226,611 0.013,612 0.153,613 0.073,614 0.24,615 0.126,616 -0.011,617 -0.045,618 0.04,619 -0.022,620 -0.009,622 -0.083,623 0.127,624 0.05,625 0.099,626 -0.054,627 0.091,628 0.122,629 -0.08,630 -0.006,631 -0.065,632 0.123,633 -0.059,634 1.978,635 6.616,636 0.628,637 66.84,638 1.003,639 1.125,640 3.314,641 10.981,642 0.684,643 3.871,644 4.19,645 4.443,646 4.7,647 4.927,648 4.963,649 5.05,650 5.124,651 5.209,652 5.215,653 9.688,654 0.638,655 642.71,656 3.871,657 5.416,658 6.26,659 7.133,660 7.997,661 8.877,662 9.75,663 10.635,664 11.515,665 12.403,666 6.3,669 2,673 3,680 2,681 10,686 4,688 17,702 2,703 80,705 20,706 3,707 47,709 84,710 32,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 13,733 3,737 3,741 3,747 37,748 8,749 2,750 11,751 3,755 5,760 0.8,761 3,775 1,776 4,780 1,783 2,784 1,792 2,796 4,797 1,799 1,801 1,802 2,805 43,810 10,811 2,813 1,814 2,815 3,824 2,825 3.8,828 3,832 22.167,833 14.302,834 9.444,835 4.828,836 2.742,837 1.325,838 0.971,839 11.271,840 11.172,841 4.086,842 4.615,843 5.104,844 5.611,845 6.123,846 6.28,847 6.552,848 6.846,849 7.134,850 6.898,851 1,852 67,853 16.106,854 6.974,855 7.749,856 30.892,857 25.853,859 2.249,860 96.722,864 411.989,865 189.925,866 45.394,867 78.297,868 75.435,870 32.22,871 157.706,872 565.721,873 45.394,874 8.396,875 61.061,876 94.762,877 89.549,878 24.767,879 11.771,880 432.437,881 78.297,882 411.989,883 203.1,884 75.435,885 110.517,887 388.446,888 98.977,891 67.309,892 135.791,893 78.297,894 32.22,895 411.989,896 120.829,897 268.223,900 411.989,901 86.766,902 112.532,903 36.022,904 153.732,905 411.989,906 120.829,907 268.223,909 0.58,910 0.334,911 0.18,912 0.103,913 29,914 14,915 0.131,916 11,917 1,918 1.074,919 5.26,920 428.316,921 0.074,922 27,923 227.329,924 1,928 32.08,929 15.108,930 8.442,931 2.182,932 120.829,933 19.141,938 2.591,940 36.022,941 801.04,942 58.5,946 39.634,950 -0.715,952 80.236,953 89.986,954 0.266,955 0.558,956 0.76,957 0.881,958 0.919,959 0.927,960 5.339,961 2.111,962 6.24,963 6.216,964 4.875,965 5.303,966 3.934,967 7.036,968 4.768,969 6.512,970 2.046,971 7.79,972 5.817,973 4.443,974 5.085,975 2.929,976 7.912,977 4.253,978 7.801,979 1.74,980 9.44,981 5.693,982 6.454,983 7.397,984 6.085,985 11.026,986 6.254,987 9.121,988 1.618,989 11.151,990 5.046,991 6.836,992 8.012,993 5.239,994 12.777,995 6.559,996 10.475,997 1.564,998 12.902,999 4.404,1000 8.318,1001 9.842,1002 8.608,1003 15.422,1004 8.024,1005 11.852,1006 1.357,1007 14.684,1008 3.792,1009 9.094,1010 10.873,1011 7.914,1012 17.55,1013 8.727,1014 13.249,1015 1.274,1016 16.488,1017 3.128,1018 10.364,1019 12.504,1020 11.213,1021 20.038,1022 9.969,1023 3.266,1024 1.174,1025 18.311,1026 2.933,1027 11.335,1028 13.752,1029 10.72,1030 22.328,1031 10.871,1032 3.032,1033 11.459,1034 20.149,1035 2.845,1036 12.521,1037 15.294,1038 13.839,1039 24.764,1040 12.02,1041 2.796,1042 10.196,1043 22,1044 4.43,1045 13.587,1046 16.652,1047 13.531,1048 27.125,1049 13.021,1050 2.619,1051 9.037,1052 23.86,1053 3.947,1054 14.745,1055 18.155,1056 16.47,1057 29.546,1058 14.133,1059 2.452,1060 7.156,1061 25.729,1062 3.387,1063 15.857,1064 19.57,1065 16.323,1066 31.938,1067 15.182,1068 2.292,1069 7.121,1070 27.605,1071 2.947,1072 17.009,1073 21.056,1074 19.103,1075 34.356,1076 16.282,1077 2.174,1078 6.316,1079 29.487,1080 2.839,1081 18.145,1082 22.501,1083 19.094,1084 36.765,1085 17.356,1086 32753,1087 53465,1088 31.323,1089 54.699,1090 70.272,1091 74.87,1092 72.072,1093 70.044,1094 69.637,1095 85.448,1096 25.583,1097 197.595,1098 65.702,1099 5.493,1100 6.788,1101 6.564,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 22.448,1109 1.495,1110 1.593,1111 1.533,1112 1.49,1113 1.482,1114 1.818,1115 0.544,1116 4.204,1117 1.398,1118 4.098,1119 4.121,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.977,1125 4.001,1126 4.04,1127 3.928,1128 7.427,1129 3.907,1130 3.861,1131 3.932,1132 3.958,1133 3.683,1134 7.422,1135 3.681,1136 3.774,1137 3.802,1138 3.742,1139 3.652,1140 5.015,1141 3.643,1142 3.656,1143 3.717,1144 3.585,1145 3.451,1146 4.896,1147 3.463,1148 3.55,1149 3.607,1150 3.564,1151 3.421,1152 4.628,1153 3.411,1154 3.452,1155 3.502,1156 3.488,1157 3.287,1158 4.415,1159 3.297,1160 3.349,1161 3.405,1162 3.344,1163 3.159,1164 4.347,1165 3.159,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.493,1172 0.094,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.19,1178 0.064,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.34,1189 2.147,1190 1.896,1191 1.882,1192 2.02,1193 2.034,1194 1.325,1195 2.036,1196 1.804,1197 1.73,1198 1.945,1199 1.964,1200 1.178,1201 1.973,1202 1.664,1203 1.628,1204 1.859,1205 1.876,1206 1.146,1207 1.871,1208 1.612,1209 1.552,1210 1.799,1211 1.829,1212 1.099,1213 1.827,1214 1.51,1215 1.467,1216 1.694,1217 1.701,1218 0.872,1219 1.7,1220 1.452,1221 1.397,1222 1.644,1223 1.612,1224 0.825,1225 1.637,1226 1.274,1227 1.223,1228 1.539,1229 1.504,1230 0.825,1231 1.51,1232 4.554,1233 5.872,1234 2.398,1235 7.375,1236 4.844,1237 8.965,1238 7.018,1239 10.605,1241 2.128,1242 12.672,1247 6.711,1248 5.949,1250 1.339,1251 -1.154,1252 6.244,1257 51.049,1258 134.64,1259 282.2,1260 384.496,1261 445.49,1262 464.999,1263 468.999,1264 112.541,1265 8.43,1266 84.99,1267 110.29,1268 29,1269 12.935,1270 4.392,1271 3.644,1272 71.297,1273 239,1274 303,1275 0.135,1276 322.314,1277 568.92,1278 778.206,1279 64932,1280 2.5,1281 30.346,1282 0.706,1283 0.618,1284 31.7,1285 26.558,1286 20.779,1287 0.442,1288 0.347,1289 14.567,1290 19.103,1291 14.084,1292 11.549,1293 21.764,1294 16.3,1295 18.811,1296 0.289,1297 0.203,1298 20.206,1299 13.208,1300 15.419,1301 0.184,1302 0.119,1303 16.873,1304 9.999,1305 12.685,1306 0.116,1307 0.07,1308 14.521,1309 7.585,1310 10.457,1311 0.076,1312 0.039,1313 11.779,1314 5.389,1315 0.217,1316 139.594,1317 0.179,1318 38.657,1319 0.357,1320 224,1321 632.075,1322 297.88,1323 688.836,1324 903.32,1325 642,1326 261,1327 577.114,1328 325.466,1329 616.906,1330 906.08,1331 580,1332 6.244}
{0 CHEMBL289661,1 1.814,2 14.459,3 2.682,4 7.195,5 143.117,6 8.501,7 0.275,8 4.306,9 4.412,10 4.003,11 3.836,12 5.374,13 3.805,14 4.892,15 5.056,16 4.404,17 4.253,18 5.949,19 4.185,20 5.151,21 5.35,22 4.456,23 4.392,24 6.178,25 4.276,26 5.181,27 5.393,28 4.572,29 4.4,30 6.239,31 4.268,32 5.167,33 5.391,34 4.47,35 4.335,36 6.38,37 4.237,38 5.145,39 5.348,40 4.472,41 4.331,42 6.305,43 4.233,44 5.133,45 5.337,46 4.446,47 4.283,48 6.335,49 4.206,50 5.059,51 5.237,52 4.463,53 4.265,54 6.4,55 4.176,56 0.134,57 0.967,58 12.372,59 6.361,60 12.333,61 7.68,62 0.611,63 1.59,64 30.695,65 11.107,66 43.656,67 13.456,68 1.019,69 1.837,70 47.99,71 15.288,72 91.423,73 18.305,74 0.954,75 1.881,76 59.835,77 16.481,78 99.478,79 19.75,80 1.127,81 1.833,82 49.697,83 15.461,84 144.527,85 19.633,86 0.993,87 1.745,88 53.526,89 15.227,90 107.782,91 18.182,92 1.108,93 1.704,94 48.301,95 13.935,96 121.31,97 16.626,98 1.181,99 1.593,100 46.722,101 14.07,102 153.134,103 16.597,104 26,105 54,106 0.288,107 0.597,108 0.802,109 0.888,110 0.888,111 0.888,112 3.642,113 1.04,114 -2.69,115 -2.71,116 -2.63,119 37.3,121 2,125 8,127 1,128 1,138 5,139 1,140 2,147 1,148 1,151 3,163 3,165 1,166 6,169 2,171 2,172 9,175 2,176 4,179 2,181 1,183 4,187 6,190 1,192 2,194 7,197 4,198 7,201 3,203 2,205 2,208 1,209 8,214 3,217 5,220 1,221 6,224 1,226 4,227 3,230 3,231 6,234 2,235 1,236 3,238 4,241 2,242 6,247 1,249 4,252 3332,253 24.913,254 24.913,255 24.913,256 24.913,257 24.913,258 23.073,259 30.676,260 15.046,261 25.727,262 19.766,263 19.766,264 19.766,265 19.766,266 19.766,267 16.9,268 34.804,269 7.23,270 21.141,271 4.252,272 2.31,273 1.02,274 0.478,275 0.478,276 0.478,277 4.333,279 2,283 1,284 1143,285 4.301,287 250.706,288 284.547,295 2.28,296 53.132,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 81.667,308 535,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.109,319 3.669,320 6.204,321 3.742,322 2.797,323 3.482,324 1.963,325 9.037,326 2.627,327 3.93,328 3.615,329 5.514,330 3.563,331 2.574,332 3.386,333 1.909,334 7.182,335 2.539,336 3.685,337 3.513,338 5.363,339 3.446,340 2.524,341 2.868,342 1.859,343 6.969,344 2.385,345 3.585,346 3.259,347 5.34,348 3.397,349 2.413,350 2.812,351 0.901,352 6.956,353 2.305,354 3.516,355 3.002,356 5.133,357 3.242,358 2.263,359 2.709,360 0.86,361 6.215,362 2.215,363 3.482,364 2.885,365 4.983,366 3.059,367 2.132,368 2.519,369 0.8,370 5.853,371 1.881,372 2.98,373 2.737,374 4.803,375 2.655,376 1.756,377 2.088,378 0.561,379 5.05,380 1.554,381 2.752,382 2.649,383 4.587,384 2.519,385 1.614,386 1.779,387 0.215,388 4.404,389 1.44,390 2.651,391 2.176,392 3.999,393 2.417,394 1.532,395 1.686,397 3.309,398 1.29,399 2.608,400 1.819,401 3.715,402 2.262,403 1.284,404 1.602,406 3.125,407 1.243,408 2.558,409 1.681,410 3.519,411 2.175,412 1.243,413 1.511,415 2.758,416 1.135,417 2.311,418 1.678,419 3.455,420 2.11,421 1.173,422 1.294,424 2.687,425 1.057,426 2.118,427 1.541,428 3.247,429 1.952,430 1,431 1,433 2.136,434 0.946,435 2,436 1.256,437 3.197,438 1.618,439 0.618,440 0.927,442 1.372,443 0.618,444 18.029,445 0.487,446 0.856,447 0.023,448 39.25,449 1.061,450 14.5,451 0.392,452 24.75,453 0.669,454 41.527,455 1.122,456 41.971,457 0.626,458 32.465,459 0.877,460 7.647,461 0.207,462 10.255,463 0.277,464 0.135,466 0.294,472 0.733,473 1.464,474 0.619,475 1.02,476 0.525,477 0.963,478 0.919,479 1.181,480 0.847,481 0.982,482 0.591,483 0.957,484 1.091,485 0.954,486 1.021,487 0.95,488 1.086,489 0.993,490 0.942,491 1.096,492 0.934,493 1.067,494 1.168,495 1.015,496 0.688,497 0.972,498 0.728,499 0.907,500 0.836,501 0.834,502 1.1,503 1.059,504 0.967,505 1.016,506 1.296,507 0.975,508 1.273,509 0.924,510 0.941,511 0.892,512 1.574,513 0.892,514 0.973,515 1.074,516 1.067,517 1.111,518 1.306,519 1.038,520 7,521 0.284,522 3.556,523 2.611,524 2.024,525 1.445,526 0.939,527 0.724,528 0.443,529 0.353,530 22274,531 69625,532 2.054,533 44.8,535 22,536 2,538 2,539 2,541 2,542 1.785,543 1.93,544 3.77,545 0.243,550 121.515,551 1.814,552 3.757,553 5.046,554 5.588,555 5.588,556 5.588,557 3.26,558 4.939,559 5.171,560 3.999,561 2663.31,562 9.129,563 45271.6,568 406.428,569 1.374,570 5.143,571 0.175,572 0.007,573 0.066,574 0.05,575 0.04,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.412,582 0.33,583 0.75,584 0.531,585 205.88,586 -0.057,587 -0.212,588 0.032,589 -0.045,590 -0.004,591 -0.01,592 -0.057,594 -0.015,595 0.025,596 0.019,597 -0.012,598 -0.111,599 0.093,600 -0.059,601 0.063,602 -0.116,603 -0.022,604 -0.038,605 -0.068,606 0.101,607 -0.003,608 -0.07,609 -0.013,610 0.221,611 0.029,612 0.161,613 0.087,614 0.261,615 0.154,616 -0.067,617 -0.059,618 0.021,619 -0.016,620 -0.047,621 0.001,622 -0.122,623 0.08,624 0.01,625 0.06,626 -0.118,627 0.048,628 0.161,629 -0.067,630 -0.01,631 -0.079,632 0.159,633 -0.066,634 1.984,635 6.347,636 0.595,637 52.983,638 1.017,639 1.129,640 1.464,641 2.142,642 0.676,643 3.714,644 4.007,645 4.234,646 4.477,647 4.635,648 4.7,649 4.804,650 4.883,651 4.942,652 4.97,653 8.581,654 0.64,655 569.56,656 3.714,657 5.242,658 6.071,659 6.932,660 7.784,661 8.655,662 9.52,663 10.399,664 11.274,665 12.16,666 6,669 1,673 3,681 6,684 1,686 4,688 11,702 2,703 67,705 14,706 1,707 40,709 70,710 25,711 10,712 3,713 3,717 4,718 4,719 2,724 1,727 3,729 13,730 12,733 3,737 3,741 3,746 1,747 30,748 9,749 2,750 12,751 3,755 4,760 1,761 5,775 2,776 2,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 37,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 7.5,828 3,829 1,830 1,832 19.167,833 11.602,834 8.222,835 3.984,836 1.353,837 1.175,838 0.946,839 10.745,840 9.096,841 3.902,842 4.366,843 4.759,844 5.173,845 5.462,846 5.572,847 5.733,848 5.999,849 6.153,850 6.235,851 0.9,852 52,853 13.855,854 5.981,855 7.889,856 26.169,857 21.52,859 2.389,860 88.389,864 329.591,865 147.978,866 42.27,867 78.297,868 95.942,870 32.22,871 115.758,872 503.83,873 42.27,875 66.034,876 59.121,877 100.549,878 22.818,879 28.991,880 338.268,881 78.297,882 329.591,883 158.028,884 95.942,885 110.517,887 306.049,888 108.484,889 11,891 69.158,892 88.87,893 78.297,894 32.22,895 329.591,896 138.212,897 226.275,900 329.591,901 88.857,902 65.369,903 36.022,904 174.239,905 329.591,906 138.212,907 226.275,909 0.573,910 0.325,911 0.174,912 0.093,913 23,914 11,915 0.157,916 11,918 1,919 4.812,920 340.854,922 22,923 186.75,924 1,928 28.424,929 13.987,930 8.198,932 138.212,933 10.087,936 5.235,938 2.164,940 36.022,941 694.078,942 48.5,946 38.686,950 -0.816,952 68.138,953 75.661,954 0.299,955 0.619,956 0.832,957 0.921,958 0.921,959 0.921,960 5.146,961 1.756,962 6.038,963 5.853,964 4.691,965 5.053,966 3.944,967 6.808,968 4.562,969 6.294,970 1.614,971 7.57,972 5.05,973 4.205,974 4.745,975 2.909,976 7.633,977 3.988,978 7.564,979 1.532,980 9.203,981 4.404,982 6.24,983 7.019,984 6.086,985 10.752,986 5.997,987 8.863,988 1.284,989 10.899,990 3.309,991 6.594,992 7.539,993 5.238,994 12.481,995 6.262,996 10.197,997 1.243,998 12.639,999 3.125,1000 8.078,1001 9.286,1002 8.608,1003 15.132,1004 7.708,1005 11.553,1006 1.173,1007 14.41,1008 2.758,1009 8.838,1010 10.189,1011 7.914,1012 17.261,1013 8.37,1014 12.926,1015 1,1016 16.206,1017 2.687,1018 10.104,1019 11.725,1020 11.213,1021 19.763,1022 9.584,1023 3.266,1024 0.618,1025 18.022,1026 2.136,1027 11.068,1028 12.824,1029 10.72,1030 22.067,1031 10.446,1032 2.797,1033 11.459,1034 19.856,1035 1.372,1036 12.254,1037 14.267,1038 13.839,1039 24.521,1040 11.564,1041 2.574,1042 9.037,1043 21.704,1044 3.947,1045 13.32,1046 15.472,1047 13.531,1048 26.899,1049 12.529,1050 2.524,1051 7.182,1052 23.564,1053 3.482,1054 14.481,1055 16.872,1056 16.47,1057 29.339,1058 13.612,1059 2.413,1060 6.969,1061 25.435,1062 3.386,1063 15.599,1064 18.138,1065 16.323,1066 31.749,1067 14.632,1068 2.263,1069 6.956,1070 27.314,1071 2.868,1072 16.757,1073 19.517,1074 19.103,1075 34.185,1076 15.706,1077 2.132,1078 6.215,1079 29.2,1080 2.812,1081 17.902,1082 20.821,1083 19.094,1084 36.609,1085 16.755,1086 21246,1087 37828,1088 26.641,1089 45.318,1090 59.451,1091 62.968,1092 60.089,1093 59.15,1094 58.708,1095 69.84,1096 25.703,1097 162.523,1098 54.673,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 18.188,1109 1.486,1110 1.574,1111 1.502,1112 1.479,1113 1.468,1114 1.746,1115 0.643,1116 4.063,1117 1.367,1118 3.992,1119 4.015,1120 4.166,1121 3.934,1122 7.435,1123 3.913,1124 3.903,1125 3.918,1126 3.961,1127 3.749,1128 7.427,1129 3.767,1130 3.829,1131 3.889,1132 3.845,1133 3.667,1134 7.422,1135 3.657,1136 3.763,1137 3.789,1138 3.708,1139 3.616,1140 5.076,1141 3.618,1142 3.63,1143 3.682,1144 3.582,1145 3.412,1146 5.012,1147 3.428,1148 3.486,1149 3.539,1150 3.547,1151 3.274,1152 4.629,1153 3.286,1154 3.318,1155 3.361,1156 3.43,1157 3.12,1158 4.627,1159 3.12,1160 3.111,1161 3.206,1162 3.241,1163 2.941,1164 4.234,1165 2.918,1166 0.111,1167 0.12,1168 0.172,1169 0.105,1170 0.082,1171 4.432,1172 0.099,1173 4.788,1174 0.095,1175 6.875,1176 0.286,1177 4.19,1178 0.075,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.896,1185 1.882,1186 1.987,1187 2.003,1188 1.299,1189 2.002,1190 1.766,1191 1.701,1192 1.944,1193 1.961,1194 1.177,1195 1.97,1196 1.678,1197 1.643,1198 1.833,1199 1.889,1200 1.111,1201 1.875,1202 1.597,1203 1.545,1204 1.814,1205 1.841,1206 1.089,1207 1.831,1208 1.528,1209 1.489,1210 1.706,1211 1.709,1212 0.917,1213 1.708,1214 1.433,1215 1.38,1216 1.633,1217 1.616,1218 0.866,1219 1.635,1220 1.362,1221 1.335,1222 1.553,1223 1.585,1224 0.825,1225 1.578,1226 1.153,1227 1.093,1228 1.513,1229 1.398,1230 0.593,1231 1.429,1232 4.394,1233 5.694,1234 3.045,1235 7.165,1236 5.352,1237 8.719,1238 7.402,1239 10.325,1242 12.524,1247 5.536,1248 5.685,1249 5.356,1250 1.307,1251 -1.165,1252 3.79,1257 42.877,1258 121.515,1259 251.691,1260 338.063,1261 374.428,1262 374.428,1263 374.428,1264 104.621,1265 7.743,1266 104.12,1267 129.42,1268 22,1269 12.694,1270 3.907,1271 3.248,1272 64.608,1273 178,1274 222,1275 0.163,1276 272.541,1277 485.58,1278 656.761,1279 25753,1280 3,1281 26.2,1282 0.708,1283 0.611,1284 27.554,1285 22.618,1286 17.902,1287 0.448,1288 0.347,1289 12.105,1290 16.057,1291 11.772,1292 9.572,1293 18.887,1294 13.871,1295 15.94,1296 0.295,1297 0.203,1298 17.335,1299 10.958,1300 12.798,1301 0.188,1302 0.12,1303 14.251,1304 8.19,1305 10.434,1306 0.12,1307 0.072,1308 12.27,1309 6.297,1310 7.869,1311 0.077,1312 0.041,1313 9.19,1314 4.197,1315 0.26,1316 123.543,1317 0.194,1318 34.236,1319 0.439,1320 188,1321 629.901,1322 266.553,1323 664.885,1324 856.98,1325 620,1326 216,1327 531.354,1328 284.392,1329 559.217,1330 820.87,1331 526,1332 5.155}
{0 CHEMBL290201,1 1.695,2 15.791,3 4.573,4 20.912,5 171.595,6 8.148,7 0.362,8 4.456,9 4.567,10 4.121,11 4.038,12 5.501,13 3.99,14 5.038,15 5.204,16 4.53,17 4.466,18 6.062,19 4.384,20 5.328,21 5.529,22 4.634,23 4.644,24 6.325,25 4.528,26 5.391,27 5.602,28 4.735,29 4.667,30 6.421,31 4.532,32 5.413,33 5.638,34 4.618,35 4.612,36 6.556,37 4.494,38 5.402,39 5.632,40 4.611,41 4.582,42 6.477,43 4.454,44 5.348,45 5.568,46 4.587,47 4.516,48 6.509,49 4.413,50 5.254,51 5.438,52 4.592,53 4.484,54 6.54,55 4.383,56 0.056,57 1.121,58 15.337,59 7.574,60 10.397,61 9.532,62 0.467,63 1.903,64 35.444,65 13.416,66 41.245,67 16.852,68 0.768,69 2.345,70 54.655,71 18.732,72 82.62,73 23.24,74 0.756,75 2.457,76 68.207,77 20.86,78 90.652,79 25.74,80 0.962,81 2.476,82 59.858,83 20.31,84 148.048,85 26.032,86 0.869,87 2.365,88 66.242,89 20.286,90 113.772,91 25.405,92 0.951,93 2.232,94 61.564,95 18.781,96 122.458,97 22.666,98 1.071,99 2.03,100 55.512,101 17.3,102 165.828,103 20.323,104 37,105 65,106 0.258,107 0.559,108 0.767,109 0.864,110 0.886,111 0.894,112 3.788,113 1.037,114 -4.54,115 -4.47,116 -4.21,119 40.5,120 1,121 2,125 7,127 2,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 4,172 24,175 2,176 4,179 1,181 2,183 18,187 8,190 1,192 4,194 18,197 3,198 7,201 3,203 5,205 8,208 1,209 10,214 4,217 10,220 1,221 12,224 1,226 4,227 7,230 1,231 9,234 2,235 1,236 3,238 9,241 2,242 9,247 1,249 10,252 4607,253 28.982,254 28.982,255 28.982,256 28.982,257 28.982,258 26.501,259 31.638,260 17.291,261 29.803,262 23.215,263 23.215,264 23.215,265 23.215,266 23.215,267 19.377,268 37.251,269 8.247,270 24.604,271 4.609,272 2.633,273 1.269,274 0.636,275 0.491,276 0.44,277 4.488,279 2,283 1,284 1470,285 4.637,287 135.59,288 603.291,292 234.228,295 2.716,296 53.281,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 92.667,308 679,309 4.529,310 4.788,311 6.875,312 4.191,313 3.266,314 4.446,315 3.784,316 11.459,317 3.097,318 4.432,319 3.678,320 6.664,321 4.105,322 3.11,323 3.947,324 1.963,325 10.702,326 3.008,327 4.109,328 3.616,329 6.205,330 3.742,331 2.796,332 3.388,333 1.909,334 9.038,335 2.626,336 3.789,337 3.533,338 5.696,339 3.512,340 2.534,341 3.079,342 1.859,343 7.58,344 2.469,345 3.64,346 3.265,347 5.496,348 3.442,349 2.52,350 2.844,351 0.901,352 7.02,353 2.343,354 3.544,355 3.214,356 5.34,357 3.349,358 2.361,359 2.812,360 0.86,361 6.964,362 2.293,363 3.516,364 3.001,365 5.134,366 3.181,367 2.229,368 2.696,369 0.8,370 6.215,371 2.149,372 3.462,373 2.885,374 5.011,375 3.042,376 2.087,377 2.519,378 0.561,379 5.871,380 1.878,381 3.118,382 2.649,383 4.827,384 2.658,385 1.751,386 2.427,387 0.215,388 5.119,389 1.618,390 2.981,391 2.539,392 4.617,393 2.618,394 1.618,395 2.09,397 4.442,398 1.561,399 2.816,400 2.176,401 4.382,402 2.52,403 1.614,404 1.931,406 4.005,407 1.459,408 2.749,409 1.819,410 4.002,411 2.448,412 1.54,413 1.8,415 3.361,416 1.371,417 2.66,418 1.681,419 3.909,420 2.354,421 1.388,422 1.675,424 3.295,425 1.268,426 2.606,427 1.678,428 3.714,429 2.243,430 1.261,431 1.6,433 3.122,434 1.237,435 2.554,436 1.618,437 3.576,438 2.174,439 1.238,440 1.506,442 2.768,443 1.134,444 21.195,445 0.493,446 1.048,447 0.024,448 48.25,449 1.122,450 20.5,451 0.477,452 27.75,453 0.645,454 50.596,455 1.177,456 47.205,457 0.598,458 41.875,459 0.974,460 9.183,461 0.214,462 11.613,463 0.27,464 0.138,466 0.321,472 0.681,473 1.319,474 0.639,475 0.966,476 0.529,477 0.937,478 0.851,479 1.127,480 0.839,481 0.959,482 0.571,483 0.942,484 1.054,485 0.947,486 0.979,487 0.938,488 1.041,489 0.963,490 0.923,491 1.106,492 0.916,493 1.078,494 1.094,495 1.036,496 0.821,497 1.065,498 0.785,499 0.984,500 0.974,501 0.955,502 1.052,503 1.017,504 0.895,505 0.969,506 1.209,507 0.959,508 1.312,509 0.923,510 0.981,511 0.939,512 1.564,513 0.865,514 1.337,515 1.035,516 1.122,517 1.069,518 1.721,519 1.019,520 8,521 0.398,522 4.667,523 3.576,524 2.495,525 1.741,526 1.092,527 0.88,528 0.525,529 0.517,530 33940,531 93721,532 2.072,533 45.6,535 26,536 1,538 2,539 2,540 3,541 2,542 1.82,543 1.94,544 3.89,545 0.137,550 133.881,551 1.695,552 3.671,553 5.035,554 5.668,555 5.813,556 5.864,557 3.395,558 5.24,559 5.392,560 4.131,561 3730.72,562 9.565,563 70362.1,568 497.999,569 1.406,570 5.357,571 0.17,572 0.007,573 0.072,574 0.053,575 0.038,576 0.026,577 0.018,578 0.014,579 0.009,580 0.009,581 0.415,582 0.17,583 0.63,584 0.523,585 249.886,586 -0.034,587 -0.124,588 0.034,589 -0.006,590 -0.018,591 0.013,592 -0.004,593 0.03,595 0.04,596 0.027,597 0.006,598 -0.086,599 0.114,600 -0.038,601 0.062,602 -0.1,603 0.006,604 -0.001,605 -0.076,606 0.081,607 -0.038,608 -0.04,609 -0.044,610 0.156,611 -0.059,612 0.077,613 -0.008,614 0.172,615 0.019,616 -0.004,617 -0.033,618 0.068,619 0.008,620 -0.013,621 0.017,622 -0.058,623 0.082,624 0.035,625 0.068,626 -0.035,627 0.093,628 0.037,629 -0.025,630 -0.047,631 -0.044,632 0.059,633 -0.068,634 1.995,635 6.663,636 0.628,637 62.946,638 1.006,639 1.123,640 3.314,641 10.981,642 0.685,643 3.871,644 4.19,645 4.454,646 4.727,647 4.934,648 4.977,649 5.088,650 5.159,651 5.252,652 5.257,653 9.399,654 0.642,655 643.69,656 3.871,657 5.416,658 6.263,659 7.141,660 8.008,661 8.893,662 9.77,663 10.66,664 11.544,665 12.438,666 5.1,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 79,705 20,706 3,707 47,709 83,710 32,711 16,712 6,713 10,717 5,718 6,719 2,721 1,724 1,727 4,729 19,730 13,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 43,810 9,811 2,812 1,813 1,814 3,815 2,824 2,825 5.1,828 3,829 1,832 22.167,833 14.102,834 9.472,835 4.845,836 2.756,837 1.328,838 0.964,839 11.271,840 11.155,841 4.086,842 4.615,843 5.116,844 5.639,845 6.146,846 6.313,847 6.607,848 6.895,849 7.178,850 6.981,851 0.909,852 68,853 16.115,854 7.007,855 7.78,856 30.769,857 25.753,859 2.28,860 98.056,864 400.217,865 193.222,866 42.27,867 78.297,868 86.435,870 32.22,871 161.002,872 564.949,873 42.27,874 8.825,875 63.928,876 94.762,877 100.549,878 21.643,879 11.771,880 420.666,881 78.297,882 400.217,883 203.272,884 86.435,885 110.517,887 341.362,888 134.29,889 11,891 75.878,892 127.395,893 78.297,894 32.22,895 400.217,896 128.705,897 271.519,900 400.217,901 89.634,902 109.836,903 36.022,904 164.732,905 400.217,906 128.705,907 271.519,909 0.578,910 0.337,911 0.187,912 0.103,913 29,914 14,915 0.133,916 11,917 1,918 1.074,919 5.206,920 433.536,921 0.074,922 27,923 225.329,924 1,928 32.08,929 15.108,930 8.239,931 2.17,932 128.705,933 19.165,938 2.57,940 36.022,941 800.441,942 58.5,946 39.855,950 -0.75,952 79.461,953 88.697,954 0.269,955 0.582,956 0.799,957 0.899,958 0.922,959 0.93,960 5.339,961 2.087,962 6.244,963 6.215,964 4.875,965 5.303,966 3.944,967 7.052,968 4.767,969 6.512,970 1.751,971 7.8,972 5.871,973 4.443,974 5.085,975 2.909,976 7.951,977 4.268,978 7.803,979 1.618,980 9.459,981 5.119,982 6.46,983 7.402,984 6.086,985 11.085,986 6.264,987 9.126,988 1.614,989 11.18,990 4.442,991 6.858,992 8.026,993 5.238,994 12.86,995 6.6,996 10.484,997 1.54,998 12.944,999 4.005,1000 8.343,1001 9.856,1002 8.608,1003 15.517,1004 8.06,1005 11.867,1006 1.388,1007 14.737,1008 3.361,1009 9.137,1010 10.896,1011 7.914,1012 17.66,1013 8.795,1014 13.27,1015 1.261,1016 16.553,1017 3.295,1018 10.41,1019 12.527,1020 11.213,1021 20.157,1022 10.037,1023 3.266,1024 1.238,1025 18.387,1026 3.122,1027 11.396,1028 13.781,1029 10.72,1030 22.456,1031 10.967,1032 3.11,1033 11.459,1034 20.234,1035 2.768,1036 12.586,1037 15.323,1038 13.839,1039 24.898,1040 12.12,1041 2.796,1042 10.702,1043 22.093,1044 4.446,1045 13.663,1046 16.687,1047 13.531,1048 27.262,1049 13.143,1050 2.534,1051 9.038,1052 23.961,1053 3.947,1054 14.826,1055 18.191,1056 16.47,1057 29.687,1058 14.264,1059 2.52,1060 7.58,1061 25.837,1062 3.388,1063 15.945,1064 19.611,1065 16.323,1066 32.081,1067 15.333,1068 2.361,1069 7.02,1070 27.719,1071 3.079,1072 17.101,1073 21.099,1074 19.103,1075 34.501,1076 16.444,1077 2.229,1078 6.964,1079 29.606,1080 2.844,1081 18.243,1082 22.548,1083 19.094,1084 36.909,1085 17.536,1086 31878,1087 53267,1088 31.323,1089 54.148,1090 70.38,1091 75.132,1092 72.141,1093 70.18,1094 69.806,1095 85.63,1096 25.703,1097 198.351,1098 65.752,1099 5.529,1100 6.788,1101 6.677,1102 5.332,1103 5.266,1104 7.446,1105 7.434,1106 18.974,1107 5.097,1108 21.952,1109 1.497,1110 1.599,1111 1.535,1112 1.493,1113 1.485,1114 1.822,1115 0.547,1116 4.22,1117 1.399,1118 4.103,1119 4.126,1120 4.17,1121 4.062,1122 7.435,1123 4.057,1124 3.976,1125 3.997,1126 4.045,1127 3.928,1128 7.427,1129 3.907,1130 3.83,1131 3.89,1132 3.958,1133 3.679,1134 7.422,1135 3.667,1136 3.772,1137 3.8,1138 3.708,1139 3.616,1140 5.015,1141 3.62,1142 3.656,1143 3.711,1144 3.589,1145 3.479,1146 4.897,1147 3.481,1148 3.572,1149 3.626,1150 3.561,1151 3.405,1152 4.629,1153 3.411,1154 3.443,1155 3.49,1156 3.513,1157 3.296,1158 4.627,1159 3.296,1160 3.354,1161 3.41,1162 3.343,1163 3.196,1164 4.361,1165 3.189,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.529,1172 0.095,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.191,1178 0.066,1179 3.266,1180 4.446,1181 3.784,1182 11.459,1183 3.097,1184 2.085,1185 2.066,1186 2.169,1187 2.14,1188 1.34,1189 2.151,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.673,1203 1.637,1204 1.84,1205 1.874,1206 1.108,1207 1.866,1208 1.597,1209 1.542,1210 1.82,1211 1.832,1212 1.088,1213 1.828,1214 1.532,1215 1.489,1216 1.73,1217 1.705,1218 0.946,1219 1.717,1220 1.434,1221 1.38,1222 1.635,1223 1.622,1224 0.867,1225 1.643,1226 1.373,1227 1.318,1228 1.611,1229 1.53,1230 0.825,1231 1.563,1232 4.554,1233 5.872,1234 2.398,1235 7.378,1236 4.844,1237 8.974,1238 7.018,1239 10.621,1241 1.94,1242 12.678,1247 5.302,1248 6.015,1249 5.384,1250 1.332,1251 -1.434,1252 3.828,1257 50.742,1258 133.881,1259 290.011,1260 397.76,1261 447.734,1262 459.244,1263 463.244,1264 116.083,1265 8.399,1266 90.98,1267 116.28,1268 29,1269 12.967,1270 4.392,1271 3.644,1272 71.237,1273 235,1274 282,1275 0.139,1276 319.516,1277 566.71,1278 771.379,1279 61309,1280 2.5,1281 30.346,1282 0.706,1283 0.614,1284 31.7,1285 26.389,1286 20.796,1287 0.442,1288 0.346,1289 14.511,1290 19.087,1291 14.053,1292 11.49,1293 21.781,1294 16.245,1295 18.728,1296 0.288,1297 0.199,1298 20.123,1299 12.96,1300 15.391,1301 0.181,1302 0.116,1303 16.844,1304 9.818,1305 13.097,1306 0.117,1307 0.068,1308 14.933,1309 7.632,1310 10.381,1311 0.075,1312 0.038,1313 11.695,1314 5.201,1315 0.222,1316 139.952,1317 0.179,1318 38.479,1319 0.372,1320 224,1321 656.165,1322 299.343,1323 704.742,1324 923.86,1325 658,1326 262,1327 589.272,1328 327.181,1329 625.34,1330 922.21,1331 590,1332 6.602}
{0 CHEMBL290678,1 1.714,2 15.714,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.475,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.033,19 4.353,20 5.284,21 5.481,22 4.627,23 4.606,24 6.289,25 4.491,26 5.342,27 5.548,28 4.782,29 4.623,30 6.392,31 4.483,32 5.334,33 5.558,34 4.624,35 4.541,36 6.489,37 4.427,38 5.301,39 5.516,40 4.542,41 4.488,42 6.448,43 4.381,44 5.254,45 5.458,46 4.56,47 4.429,48 6.491,49 4.346,50 5.182,51 5.365,52 4.563,53 4.422,54 6.483,55 4.326,56 0.066,57 1.081,58 14.293,59 7.216,60 10.343,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 39.89,67 15.831,68 0.747,69 2.232,70 51.589,71 18.104,72 80.178,73 22.148,74 0.851,75 2.295,76 70.783,77 20.071,78 95.379,79 24.097,80 0.944,81 2.263,82 58.197,83 18.961,84 136.715,85 24.012,86 0.917,87 2.122,88 60.931,89 18.189,90 117.16,91 22.118,92 1.065,93 2.01,94 55.721,95 16.347,96 132.44,97 19.453,98 0.999,99 1.91,100 49.996,101 16.285,102 153.757,103 19.123,104 26,105 63,106 0.263,107 0.559,108 0.743,109 0.844,110 0.87,111 0.878,112 3.765,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 23,175 2,176 3,179 1,181 2,183 15,187 8,190 1,192 4,194 15,197 3,198 7,201 3,203 5,205 5,208 1,209 9,214 3,217 8,220 1,221 11,224 1,226 4,227 8,230 1,231 10,234 2,235 1,236 5,238 6,241 2,242 9,247 1,249 9,252 4408,253 28.534,254 28.534,255 28.534,256 28.534,257 28.534,258 26.001,259 29.331,260 17.123,261 29.323,262 22.721,263 22.721,264 22.721,265 22.721,266 22.721,267 18.841,268 33.396,269 8.15,270 24.06,271 4.534,272 2.606,273 1.404,274 0.747,275 0.579,276 0.526,277 4.468,279 2,283 1,284 1433,285 4.416,287 129.579,288 584.944,292 227.628,295 2.782,296 53.163,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 660,309 4.496,310 4.791,311 6.967,312 4.22,313 3.299,314 4.43,315 3.784,316 11.779,317 3.03,318 4.492,319 3.694,320 6.506,321 4.03,322 3.032,323 4.055,324 1.963,325 10.196,326 3.02,327 4.132,328 3.616,329 6.377,330 3.799,331 2.858,332 3.371,333 1.909,334 9.563,335 2.658,336 3.702,337 3.525,338 5.524,339 3.453,340 2.525,341 2.943,342 1.859,343 7.125,344 2.408,345 3.596,346 3.303,347 5.34,348 3.422,349 2.445,350 2.83,351 0.901,352 6.965,353 2.31,354 3.517,355 3.104,356 5.218,357 3.271,358 2.275,359 2.719,360 0.86,361 6.313,362 2.247,363 3.466,364 2.948,365 5.025,366 3.069,367 2.075,368 2.519,369 0.8,370 5.933,371 2.063,372 3.232,373 2.885,374 4.961,375 2.806,376 1.879,377 2.481,378 0.561,379 5.421,380 1.735,381 3.122,382 2.623,383 4.841,384 2.707,385 1.849,386 2.427,387 0.215,388 5.104,389 1.618,390 3.118,391 2.29,392 4.631,393 2.618,394 1.638,395 2.261,397 4.549,398 1.511,399 2.772,400 2.176,401 4.161,402 2.562,403 1.618,404 1.904,406 3.792,407 1.441,408 2.742,409 1.811,410 3.858,411 2.446,412 1.537,413 1.755,415 3.308,416 1.384,417 2.611,418 1.678,419 3.714,420 2.275,421 1.276,422 1.605,424 2.853,425 1.274,426 2.567,427 1.618,428 3.599,429 2.179,430 1.26,431 1.527,433 2.839,434 1.138,435 2.402,436 1.413,437 3.476,438 2.115,439 1.176,440 1.358,442 2.697,443 1.06,444 20.695,445 0.493,446 0.942,447 0.022,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.708,455 1.136,456 45.905,457 0.604,458 40.825,459 0.972,460 9.234,461 0.22,462 11.167,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.518,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.585,483 0.946,484 1.027,485 0.965,486 0.952,487 0.939,488 1.039,489 0.961,490 0.975,491 1.098,492 0.956,493 1.069,494 1.158,495 1.035,496 0.81,497 1.038,498 0.84,499 0.962,500 0.885,501 0.899,502 1.194,503 1.019,504 1.113,505 1.045,506 1.297,507 0.97,508 1.391,509 0.893,510 1.021,511 0.928,512 1.666,513 0.898,514 1.137,515 1.081,516 0.997,517 1.09,518 1.526,519 1.017,520 7,521 0.356,522 4.444,523 3.326,524 2.295,525 1.675,526 1.003,527 0.774,528 0.485,529 0.377,530 32285,531 89490,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.846,545 0.149,550 130.289,551 1.714,552 3.642,553 4.844,554 5.501,555 5.669,556 5.722,557 3.345,558 4.993,559 5.357,560 4.116,561 3544.16,562 9.494,563 65985.9,568 474.842,569 1.351,570 5.33,571 0.152,572 0.006,573 0.071,574 0.05,575 0.036,576 0.026,577 0.017,578 0.013,579 0.008,580 0.007,581 0.388,582 0.17,583 0.63,584 0.494,585 242.663,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.011,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.012,597 -0.007,598 -0.069,599 0.082,600 -0.008,601 0.068,602 -0.093,603 0.012,604 0.008,605 -0.079,606 0.139,607 -0.011,608 -0.06,609 -0.04,610 0.182,611 -0.039,612 0.125,613 0.036,614 0.208,615 0.085,616 -0.034,617 -0.03,618 -0.035,619 -0.047,620 0.006,621 0.002,622 -0.039,623 0.108,624 0.006,625 0.035,626 -0.022,627 0.04,628 0.133,629 -0.074,630 0.023,631 -0.062,632 0.131,633 -0.058,634 2.01,635 6.609,636 0.643,637 61.283,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.431,646 4.7,647 4.905,648 4.942,649 5.05,650 5.094,651 5.165,652 5.193,653 9.326,654 0.648,655 629.66,656 3.85,657 5.389,658 6.236,659 7.111,660 7.978,661 8.861,662 9.738,663 10.627,664 11.511,665 12.405,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.306,835 4.602,836 2.801,837 1.335,838 0.971,839 11.046,840 11.174,841 4.069,842 4.595,843 5.101,844 5.615,845 6.109,846 6.264,847 6.55,848 6.826,849 7.109,850 6.906,851 0.909,852 66,853 15.741,854 6.851,855 7.791,856 30.012,857 25.076,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.575,910 0.337,911 0.187,912 0.103,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.171,920 418.182,921 0.074,922 27,923 214.477,924 1,928 31.111,929 14.912,930 7.998,931 2.169,932 128.705,933 19.133,938 2.381,940 36.022,941 770.18,942 57.5,946 39.58,950 -0.794,952 76.578,953 85.282,954 0.274,955 0.583,956 0.775,957 0.88,958 0.907,959 0.916,960 5.314,961 1.879,962 6.209,963 5.933,964 4.844,965 5.283,966 3.944,967 7.013,968 4.734,969 6.484,970 1.849,971 7.761,972 5.421,973 4.369,974 5.047,975 2.909,976 7.921,977 4.189,978 7.773,979 1.638,980 9.419,981 5.104,982 6.422,983 7.388,984 6.086,985 11.062,986 6.218,987 9.096,988 1.618,989 11.142,990 4.549,991 6.804,992 8.018,993 5.238,994 12.869,995 6.526,996 10.456,997 1.537,998 12.91,999 3.792,1000 8.305,1001 9.856,1002 8.608,1003 15.532,1004 8.001,1005 11.843,1006 1.276,1007 14.709,1008 3.308,1009 9.099,1010 10.909,1011 7.914,1012 17.707,1013 8.717,1014 13.25,1015 1.26,1016 16.533,1017 2.853,1018 10.381,1019 12.542,1020 11.213,1021 20.215,1022 9.964,1023 3.299,1024 1.176,1025 18.375,1026 2.839,1027 11.372,1028 13.806,1029 10.72,1030 22.542,1031 10.879,1032 3.032,1033 11.779,1034 20.231,1035 2.697,1036 12.57,1037 15.348,1038 13.839,1039 25,1040 12.03,1041 2.858,1042 10.196,1043 22.1,1044 4.43,1045 13.654,1046 16.717,1047 13.531,1048 27.392,1049 13.04,1050 2.525,1051 9.563,1052 23.977,1053 4.055,1054 14.823,1055 18.219,1056 16.47,1057 29.837,1058 14.155,1059 2.445,1060 7.125,1061 25.863,1062 3.371,1063 15.95,1064 19.639,1065 16.323,1066 32.259,1067 15.211,1068 2.275,1069 6.965,1070 27.754,1071 2.943,1072 17.113,1073 21.124,1074 19.103,1075 34.704,1076 16.313,1077 2.075,1078 6.313,1079 29.651,1080 2.83,1081 18.262,1082 22.57,1083 19.094,1084 37.141,1085 17.392,1086 30227,1087 50606,1088 30.917,1089 52.387,1090 68.418,1091 73.485,1092 70.109,1093 68.338,1094 67.954,1095 83.776,1096 25.703,1097 191.582,1098 63.96,1099 5.496,1100 6.791,1101 6.768,1102 5.362,1103 5.299,1104 7.43,1105 7.434,1106 19.348,1107 5.03,1108 19.565,1109 1.487,1110 1.598,1111 1.524,1112 1.486,1113 1.477,1114 1.821,1115 0.559,1116 4.165,1117 1.39,1118 4.097,1119 4.12,1120 4.184,1121 4.057,1122 7.435,1123 4.051,1124 3.977,1125 3.996,1126 4.04,1127 3.931,1128 7.427,1129 3.91,1130 3.83,1131 3.89,1132 3.932,1133 3.674,1134 7.422,1135 3.663,1136 3.769,1137 3.797,1138 3.708,1139 3.616,1140 5.008,1141 3.618,1142 3.643,1143 3.697,1144 3.582,1145 3.438,1146 4.896,1147 3.448,1148 3.539,1149 3.593,1150 3.554,1151 3.402,1152 4.632,1153 3.4,1154 3.442,1155 3.49,1156 3.487,1157 3.273,1158 4.628,1159 3.281,1160 3.322,1161 3.368,1162 3.34,1163 3.144,1164 4.348,1165 3.14,1166 0.098,1167 0.104,1168 0.151,1169 0.092,1170 0.072,1171 4.496,1172 0.096,1173 4.791,1174 0.082,1175 6.967,1176 0.256,1177 4.22,1178 0.066,1179 3.299,1180 4.43,1181 3.784,1182 11.779,1183 3.03,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.895,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.943,1199 1.959,1200 1.177,1201 1.969,1202 1.659,1203 1.626,1204 1.827,1205 1.869,1206 1.107,1207 1.858,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.087,1213 1.816,1214 1.506,1215 1.465,1216 1.693,1217 1.683,1218 0.872,1219 1.686,1220 1.435,1221 1.379,1222 1.639,1223 1.606,1224 0.825,1225 1.632,1226 1.273,1227 1.222,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.533,1233 5.844,1234 2.398,1235 7.347,1236 4.844,1237 8.942,1238 7.018,1239 10.589,1242 13.05,1247 5.6,1248 5.901,1249 5.379,1250 1.298,1251 -1.266,1252 3.791,1257 49.216,1258 130.289,1259 276.787,1260 368.113,1261 418.088,1262 430.842,1263 434.842,1264 111.343,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.934,1270 4.392,1271 3.644,1272 68.717,1273 226,1274 272,1275 0.139,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.402,1287 0.444,1288 0.344,1289 14.067,1290 18.71,1291 13.665,1292 11.149,1293 21.387,1294 15.803,1295 18.092,1296 0.287,1297 0.198,1298 19.45,1299 12.457,1300 15.088,1301 0.182,1302 0.116,1303 16.606,1304 9.603,1305 12.72,1306 0.117,1307 0.069,1308 14.73,1309 7.561,1310 10.186,1311 0.076,1312 0.038,1313 11.589,1314 5.143,1315 0.222,1316 137.635,1317 0.18,1318 37.828,1319 0.37,1320 218,1321 650.165,1322 293.01,1323 698.027,1324 913.48,1325 652,1326 255,1327 578.99,1328 321.966,1329 614.869,1330 907.92,1331 580,1332 5.097}
{0 CHEMBL290845,1 1.726,2 13.974,3 4.445,4 19.762,5 153.237,6 8.435,7 0.415,8 4.302,9 4.414,10 3.997,11 3.902,12 5.395,13 3.851,14 4.855,15 5.023,16 4.409,17 4.323,18 5.923,19 4.239,20 5.117,21 5.294,22 4.519,23 4.495,24 6.191,25 4.378,26 5.232,27 5.445,28 4.629,29 4.491,30 6.312,31 4.359,32 5.177,33 5.383,34 4.428,35 4.41,36 6.348,37 4.295,38 5.163,39 5.379,40 4.458,41 4.402,42 6.261,43 4.276,44 5.157,45 5.37,46 4.453,47 4.356,48 6.355,49 4.253,50 5.112,51 5.322,52 4.481,53 4.333,54 6.329,55 4.23,56 0.057,57 0.969,58 12.308,59 6.272,60 10.224,61 7.843,62 0.407,63 1.622,64 29.114,65 11.029,66 34.315,67 13.76,68 0.546,69 1.931,70 42.795,71 15.706,72 72.482,73 18.799,74 0.731,75 2.082,76 61.59,77 17.974,78 96.536,79 21.407,80 0.889,81 2.022,82 47.96,83 15.77,84 122.526,85 19.095,86 0.666,87 1.9,88 53.763,89 16.587,90 89.054,91 20.138,92 0.731,93 1.84,94 48.553,95 15.551,96 122.305,97 18.954,98 0.929,99 1.802,100 51.491,101 14.98,102 117.379,103 17.761,104 56,105 57,106 0.271,107 0.566,108 0.751,109 0.857,110 0.883,111 0.893,112 3.668,113 1.023,114 -4.55,115 -4.47,116 -4.21,119 41.2,121 1,124 2,125 4,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 3,169 2,171 2,172 23,175 1,176 4,179 2,181 2,183 16,187 6,192 4,194 14,197 3,198 3,201 3,203 5,205 5,208 1,209 8,214 4,217 8,220 1,221 8,226 4,227 5,230 1,231 13,234 1,235 1,236 3,238 6,242 11,247 1,249 6,252 3196,253 25.206,254 25.206,255 25.206,256 25.206,257 25.206,258 22.7,259 24.693,260 14.916,261 25.861,262 20.231,263 20.231,264 20.231,265 20.231,266 20.231,267 16.362,268 25.607,269 7.084,270 21.364,271 4.361,272 2.485,273 1.309,274 0.633,275 0.463,276 0.405,277 4.358,279 2,283 1,284 1126,285 4.583,287 117.921,288 371.822,292 202.53,295 2.136,296 45.464,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.83,305 1,306 0.76,307 81.667,308 531,309 4.493,310 4.787,311 6.869,312 4.183,313 3.26,314 4.43,315 3.784,316 11.431,317 3.028,318 4.427,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.959,325 10.196,326 2.997,327 4.101,328 3.603,329 6.202,330 3.737,331 2.792,332 3.373,333 1.909,334 9.024,335 2.619,336 3.715,337 3.525,338 5.48,339 3.472,340 2.496,341 2.943,342 1.864,343 6.984,344 2.429,345 3.673,346 3.284,347 5.22,348 3.38,349 2.402,350 2.873,351 0.896,352 6.546,353 2.336,354 3.509,355 3.104,356 5.203,357 3.111,358 2.174,359 2.831,360 0.815,361 6.307,362 2.075,363 3.456,364 3.015,365 5.085,366 3.032,367 2.069,368 2.724,369 0.561,370 6.002,371 1.886,372 3.118,373 2.653,374 4.852,375 2.847,376 1.915,377 2.427,378 0.163,379 5.264,380 1.762,381 3.023,382 2.462,383 4.628,384 2.707,385 1.784,386 2.103,388 4.513,389 1.618,390 2.97,391 2.29,392 4.319,393 2.618,394 1.618,395 1.988,397 4.337,398 1.607,399 2.822,400 1.98,401 4.162,402 2.456,403 1.597,404 1.904,406 3.794,407 1.286,408 2.77,409 1.68,410 4.001,411 2.275,412 1.276,413 1.849,415 3.131,416 1.275,417 2.563,418 1.618,419 3.601,420 2.125,421 1.181,422 1.518,424 2.848,425 1.084,426 2.405,427 1.389,428 3.53,429 2.061,430 1.096,431 1.364,433 2.487,434 1.037,435 2.225,436 1.353,437 3.378,438 1.975,439 0.988,440 1.165,442 2.264,443 0.968,444 18.862,445 0.496,446 1.035,447 0.027,448 44.75,449 1.178,450 20.5,451 0.539,452 24.25,453 0.638,454 40.66,455 1.07,456 41.138,457 0.605,458 38.154,459 1.004,460 8.793,461 0.231,462 9.431,463 0.248,464 0.182,466 0.334,472 0.649,473 1.305,474 0.624,475 0.917,476 0.527,477 0.905,478 0.727,479 1.002,480 0.812,481 0.882,482 0.545,483 0.861,484 1.022,485 1.035,486 1.018,487 1.064,488 1.11,489 1.063,490 1.06,491 1.103,492 0.901,493 1.034,494 1.151,495 0.967,496 1.079,497 1.042,498 0.959,499 1.014,500 1.207,501 0.995,502 1.015,503 1.011,504 0.947,505 1.04,506 1.07,507 0.998,508 1.242,509 1.014,510 0.892,511 0.918,512 1.368,513 0.91,514 1.221,515 0.879,516 1.045,517 0.944,518 1.314,519 0.857,520 8,521 0.374,522 4.444,523 3.389,524 2.109,525 1.424,526 0.855,527 0.79,528 0.543,529 0.475,530 22816,531 68117,532 2.022,533 44.1,535 25,536 1,538 2,539 2,542 1.791,543 1.869,544 3.742,545 0.175,550 117.38,551 1.726,552 3.602,553 4.779,554 5.455,555 5.624,556 5.683,557 3.231,558 5.037,559 5.216,560 3.965,561 2787.44,562 9.212,563 47800.8,568 413.947,569 1.49,570 5.165,571 0.195,572 0.008,573 0.078,574 0.057,575 0.037,576 0.026,577 0.016,578 0.015,579 0.01,580 0.009,581 0.452,582 0.17,583 0.88,584 1.416,585 212.32,586 -0.04,587 -0.126,588 0.027,589 0.004,590 -0.03,591 0.012,592 0.034,593 0.165,594 0.023,595 0.107,596 0.039,597 0.074,598 -0.068,599 0.017,600 -0.075,601 -0.045,602 -0.128,603 -0.095,604 -0.017,605 -0.1,606 0.127,607 0.013,608 -0.053,609 0.022,610 0.043,611 0.009,612 -0.057,613 -0.019,614 0.014,615 -0.05,616 0.012,617 -0.026,618 0.038,619 -0.04,621 -0.013,622 -0.019,623 -0.053,624 0.065,625 0.034,626 0.011,627 0.051,628 0.055,629 0.13,630 0.048,631 0.079,632 0.037,633 0.105,634 1.906,635 6.441,636 0.553,637 49.573,638 1.007,639 1.121,640 3.315,641 10.992,642 0.697,643 3.738,644 4.06,645 4.304,646 4.575,647 4.762,648 4.836,649 4.942,650 5.037,651 5.13,652 5.106,653 8.477,654 0.654,655 573.59,656 3.738,657 5.283,658 6.125,659 7.004,660 7.867,661 8.753,662 9.627,663 10.518,664 11.4,665 12.294,666 5.9,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 68,705 20,706 3,707 41,709 71,710 28,711 16,712 6,713 10,717 4,718 5,719 2,724 1,727 2,729 19,730 9,733 3,737 3,741 3,747 30,748 7,749 2,750 10,751 3,755 4,760 0.75,761 3,775 1,776 3,780 1,783 2,784 1,792 1,796 3,797 1,799 1,801 2,802 2,805 38,810 5,811 2,813 1,814 2,815 2,824 2,825 4.4,828 3,832 20.333,833 12.602,834 8.361,835 3.878,836 2.954,837 1.366,838 0.962,839 9.96,840 11.024,841 3.98,842 4.533,843 5.035,844 5.563,845 6.062,846 6.236,847 6.515,848 6.814,849 7.101,850 6.854,851 1,852 59,853 14.175,854 6.086,855 7.848,856 26.809,857 22.044,859 2.348,860 89.222,864 329.591,865 187.364,866 42.27,867 78.297,868 75.435,870 32.22,871 155.145,872 483.323,873 42.27,874 16.793,875 50.103,876 94.762,877 89.549,878 21.643,879 11.771,880 350.039,881 78.297,882 329.591,883 197.415,884 75.435,885 110.517,887 329.591,888 75.435,891 53.227,892 144.187,893 78.297,894 32.22,895 329.591,896 117.705,897 265.662,900 329.591,901 75.809,902 117.804,903 36.022,904 153.732,905 329.591,906 117.705,907 265.662,909 0.581,910 0.329,911 0.181,912 0.095,913 25,914 13,915 0.141,916 10,917 1,918 1.095,919 4.741,920 361.419,921 0.095,922 21,923 195.421,924 1,928 28.715,929 13.181,930 7.436,931 2.193,932 117.705,933 19.192,938 2.709,940 36.022,941 712.957,942 52.5,946 38.444,950 -0.487,952 68.483,953 76.242,954 0.284,955 0.592,956 0.785,957 0.896,958 0.924,959 0.934,960 5.227,961 1.915,962 6.116,963 6.002,964 4.745,965 5.22,966 3.915,967 6.925,968 4.641,969 6.419,970 1.784,971 7.676,972 5.264,973 4.369,974 5.047,975 2.909,976 7.837,977 4.189,978 7.717,979 1.618,980 9.336,981 4.513,982 6.333,983 7.352,984 6.084,985 10.953,986 6.144,987 9.047,988 1.597,989 11.057,990 4.337,991 6.758,992 7.989,993 5.238,994 12.729,995 6.494,996 10.409,997 1.276,998 12.819,999 3.794,1000 8.217,1001 9.821,1002 8.608,1003 15.378,1004 7.939,1005 11.794,1006 1.181,1007 14.611,1008 3.131,1009 9.024,1010 10.862,1011 7.913,1012 17.519,1013 8.672,1014 13.199,1015 1.096,1016 16.425,1017 2.848,1018 10.284,1019 12.495,1020 11.213,1021 20.009,1022 9.906,1023 3.26,1024 0.988,1025 18.256,1026 2.487,1027 11.275,1028 13.746,1029 10.719,1030 22.304,1031 10.827,1032 3.032,1033 11.431,1034 20.102,1035 2.264,1036 12.459,1037 15.289,1038 13.839,1039 24.74,1040 11.973,1041 2.792,1042 10.196,1043 21.959,1044 4.43,1045 13.537,1046 16.649,1047 13.531,1048 27.1,1049 12.984,1050 2.496,1051 9.024,1052 23.825,1053 3.947,1054 14.695,1055 18.152,1056 16.47,1057 29.52,1058 14.095,1059 2.402,1060 6.984,1061 25.698,1062 3.373,1063 15.814,1064 19.568,1065 16.322,1066 31.911,1067 15.149,1068 2.174,1069 6.546,1070 27.578,1071 2.943,1072 16.967,1073 21.054,1074 19.103,1075 34.327,1076 16.249,1077 2.069,1078 6.307,1079 29.463,1080 2.873,1081 18.106,1082 22.5,1083 19.093,1084 36.734,1085 17.325,1086 22020,1087 38253,1088 26.759,1089 47.409,1090 61.688,1091 66.05,1092 63.522,1093 61.27,1094 60.914,1095 76.729,1096 23.901,1097 173.943,1098 57.487,1099 5.469,1100 6.787,1101 6.558,1102 5.323,1103 5.26,1104 7.43,1105 7.434,1106 18.945,1107 5.028,1108 22.557,1109 1.505,1110 1.611,1111 1.549,1112 1.494,1113 1.486,1114 1.871,1115 0.583,1116 4.243,1117 1.402,1118 4.096,1119 4.118,1120 4.168,1121 4.056,1122 7.434,1123 4.051,1124 3.973,1125 3.994,1126 4.039,1127 3.928,1128 7.427,1129 3.906,1130 3.782,1131 3.822,1132 3.956,1133 3.675,1134 7.423,1135 3.657,1136 3.715,1137 3.767,1138 3.636,1139 3.49,1140 5.015,1141 3.511,1142 3.578,1143 3.642,1144 3.584,1145 3.429,1146 4.896,1147 3.424,1148 3.473,1149 3.533,1150 3.503,1151 3.309,1152 4.628,1153 3.317,1154 3.381,1155 3.437,1156 3.354,1157 3.186,1158 4.348,1159 3.179,1160 3.192,1161 3.257,1162 3.307,1163 3.045,1164 4.317,1165 3.036,1166 0.11,1167 0.117,1168 0.168,1169 0.102,1170 0.08,1171 4.493,1172 0.108,1173 4.787,1174 0.092,1175 6.869,1176 0.279,1177 4.183,1178 0.074,1179 3.26,1180 4.43,1181 3.784,1182 11.431,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.95,1193 1.971,1194 1.195,1195 1.978,1196 1.678,1197 1.633,1198 1.877,1199 1.913,1200 1.125,1201 1.91,1202 1.635,1203 1.58,1204 1.812,1205 1.849,1206 1.04,1207 1.842,1208 1.529,1209 1.472,1210 1.762,1211 1.764,1212 0.969,1213 1.77,1214 1.491,1215 1.432,1216 1.679,1217 1.624,1218 0.826,1219 1.647,1220 1.278,1221 1.225,1222 1.5,1223 1.526,1224 0.615,1225 1.511,1226 1.224,1227 1.17,1228 1.447,1229 1.432,1230 0.605,1231 1.458,1232 4.419,1233 5.74,1234 2.398,1235 7.242,1236 4.844,1237 8.835,1238 7.018,1239 10.48,1241 3.628,1242 12.584,1247 1.261,1248 5.824,1250 1.389,1251 -0.967,1252 3.452,1257 44.447,1258 117.38,1259 244.94,1260 324.954,1261 370.928,1262 382.438,1263 386.438,1264 104.077,1265 8.07,1266 81.75,1267 107.05,1268 23,1269 12.823,1270 4.392,1271 3.644,1272 67.374,1273 189,1274 194,1275 0.167,1276 284.544,1277 501.08,1278 686.047,1279 39480,1280 2.9,1281 27.233,1282 0.717,1283 0.62,1284 28.587,1285 23.575,1286 18.223,1287 0.444,1288 0.341,1289 12.276,1290 16.646,1291 11.773,1292 9.718,1293 19.209,1294 13.982,1295 16.725,1296 0.293,1297 0.202,1298 18.12,1299 11.513,1300 13.158,1301 0.18,1302 0.113,1303 14.612,1304 8.25,1305 11.271,1306 0.117,1307 0.068,1308 13.118,1309 6.529,1310 8.584,1311 0.074,1312 0.038,1313 9.878,1314 4.408,1315 0.265,1316 123.732,1317 0.193,1318 34.68,1319 0.45,1320 196,1321 584.43,1322 267.466,1323 644.184,1324 838.2,1325 598,1326 228,1327 527.649,1328 289.607,1329 569.362,1330 833.17,1331 533,1332 4.959}
{0 CHEMBL295057,1 1.704,2 15.171,3 4.303,4 18.515,5 162.908,6 8.048,7 0.267,8 4.432,9 4.546,10 4.088,11 4.002,12 5.441,13 3.952,14 5.037,15 5.207,16 4.5,17 4.445,18 6.026,19 4.356,20 5.344,21 5.556,22 4.599,23 4.621,24 6.3,25 4.495,26 5.39,27 5.613,28 4.691,29 4.623,30 6.382,31 4.479,32 5.377,33 5.611,34 4.57,35 4.544,36 6.507,37 4.426,38 5.337,39 5.562,40 4.571,41 4.512,42 6.427,43 4.389,44 5.288,45 5.501,46 4.562,47 4.472,48 6.443,49 4.368,50 5.224,51 5.41,52 4.58,53 4.459,54 6.488,55 4.354,56 0.057,57 1.107,58 15.54,59 7.51,60 8.574,61 9.557,62 0.469,63 1.89,64 36.2,65 13.477,66 39.627,67 17.206,68 0.783,69 2.334,70 56.839,71 19.024,72 81.492,73 24.074,74 0.798,75 2.398,76 69.897,77 20.526,78 89.105,79 25.75,80 0.98,81 2.319,82 59.586,83 19.301,84 142.615,85 25.017,86 0.877,87 2.154,88 63.407,89 18.839,90 112.528,91 23.483,92 0.947,93 2.077,94 58.01,95 17.456,96 117.748,97 21.079,98 1.019,99 1.972,100 56.588,101 17.169,102 151.305,103 20.315,104 26,105 62,106 0.263,107 0.552,108 0.772,109 0.876,110 0.889,111 0.893,112 3.741,113 1.062,114 -4.32,115 -4.26,116 -4.02,119 39,121 5,125 7,127 2,128 1,138 7,139 3,140 2,151 3,163 11,165 1,166 4,169 2,171 4,172 20,175 2,176 4,179 1,181 3,183 13,187 8,190 1,192 4,194 14,197 3,198 8,201 3,203 3,205 6,208 1,209 10,214 3,217 9,220 1,221 10,224 1,226 4,227 6,230 1,231 10,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 4132,253 27.775,254 27.775,255 27.775,256 27.775,257 27.775,258 25.829,259 33.708,260 16.634,261 28.587,262 22.248,263 22.248,264 22.248,265 22.248,266 22.248,267 19.187,268 37.299,269 7.956,270 23.633,271 4.563,272 2.684,273 1.255,274 0.581,275 0.494,276 0.468,277 4.444,279 2,283 1,284 1352,285 4.301,287 126.04,288 562.39,292 217.604,295 2.484,296 53.363,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 88.667,308 622,309 4.432,310 4.788,311 6.875,312 4.191,313 3.267,314 3.947,315 3.784,316 11.459,317 3.024,318 4.313,319 3.68,320 6.513,321 4.032,322 3.042,323 3.872,324 1.963,325 10.233,326 2.997,327 4.108,328 3.616,329 6.204,330 3.738,331 2.794,332 3.387,333 1.909,334 9.036,335 2.619,336 3.709,337 3.537,338 5.522,339 3.454,340 2.525,341 2.893,342 1.859,343 7.193,344 2.409,345 3.603,346 3.271,347 5.34,348 3.425,349 2.451,350 2.812,351 0.901,352 6.966,353 2.312,354 3.516,355 3.23,356 5.291,357 3.285,358 2.296,359 2.738,360 0.86,361 6.518,362 2.254,363 3.494,364 3,365 5.127,366 3.09,367 2.178,368 2.519,369 0.8,370 6.215,371 1.957,372 3.179,373 2.885,374 4.924,375 2.923,376 1.946,377 2.314,378 0.561,379 5.573,380 1.852,381 2.976,382 2.649,383 4.765,384 2.627,385 1.706,386 2.102,387 0.215,388 4.895,389 1.618,390 2.943,391 2.324,392 4.573,393 2.618,394 1.618,395 2.084,397 4.38,398 1.54,399 2.736,400 2.176,401 4.125,402 2.518,403 1.613,404 1.752,406 3.743,407 1.427,408 2.612,409 1.819,410 3.997,411 2.4,412 1.515,413 1.608,415 3.307,416 1.274,417 2.573,418 1.71,419 3.715,420 2.268,421 1.271,422 1.567,424 3.124,425 1.262,426 2.542,427 1.68,428 3.591,429 2.177,430 1.257,431 1.504,433 2.824,434 1.136,435 2.311,436 1.678,437 3.471,438 2.111,439 1.174,440 1.294,442 2.701,443 1.059,444 20.195,445 0.493,446 0.959,447 0.023,448 43.25,449 1.055,450 16.5,451 0.402,452 26.75,453 0.652,454 49.839,455 1.216,456 45.805,457 0.595,458 35.959,459 0.877,460 7.946,461 0.194,462 11.939,463 0.291,464 0.12,466 0.312,472 0.68,473 1.362,474 0.643,475 0.988,476 0.51,477 0.961,478 0.833,479 1.173,480 0.843,481 0.994,482 0.553,483 0.985,484 1.005,485 0.987,486 0.954,487 0.956,488 0.993,489 0.982,490 0.919,491 1.1,492 0.901,493 1.063,494 1.076,495 1.026,496 0.823,497 1.006,498 0.758,499 0.938,500 0.967,501 0.897,502 1.136,503 0.999,504 0.903,505 0.953,506 1.355,507 0.935,508 1.369,509 0.927,510 0.999,511 0.928,512 1.662,513 0.874,514 1.219,515 1.09,516 1.159,517 1.144,518 1.534,519 1.021,520 7.5,521 0.341,522 4.222,523 3.201,524 2.295,525 1.622,526 0.97,527 0.849,528 0.491,529 0.477,530 29790,531 80409,532 2.09,533 46.8,534 4,535 23,536 1,538 2,539 2,540 2,541 2,542 1.809,543 1.968,544 3.834,545 0.161,550 131.219,551 1.704,552 3.582,553 5.011,554 5.686,555 5.773,556 5.799,557 3.35,558 4.815,559 5.322,560 4.065,561 3333.56,562 9.429,563 60461.6,568 482.543,569 1.363,570 5.294,571 0.167,572 0.006,573 0.068,574 0.05,575 0.038,576 0.026,577 0.017,578 0.014,579 0.008,580 0.009,581 0.403,582 0.17,583 0.75,584 0.501,585 234.563,586 -0.034,587 -0.133,588 0.036,589 -0.006,590 -0.001,591 0.014,592 -0.004,593 -0.003,594 -0.01,595 0.014,596 0.032,597 -0.023,598 -0.068,599 0.066,600 -0.024,601 0.043,602 -0.082,603 -0.006,604 -0.001,605 -0.072,606 0.091,607 -0.029,608 -0.04,609 -0.034,610 0.165,611 -0.006,612 0.11,613 0.036,614 0.193,615 0.075,616 -0.021,617 -0.019,618 0.072,619 0.03,620 -0.027,621 0.037,622 -0.088,623 0.091,624 0.023,625 0.086,626 -0.078,627 0.077,628 0.074,629 -0.056,630 -0.037,631 -0.067,632 0.106,633 -0.051,634 1.959,635 6.623,636 0.659,637 58.117,638 1.006,639 1.126,640 3.092,641 9.558,642 0.677,643 3.829,644 4.143,645 4.407,646 4.682,647 4.898,648 4.942,649 5.05,650 5.147,651 5.247,652 5.278,653 9.006,654 0.633,655 619.67,656 3.829,657 5.371,658 6.217,659 7.093,660 7.958,661 8.842,662 9.718,663 10.607,664 11.49,665 12.383,666 5.2,669 1,673 3,681 7,686 5,688 12,702 2,703 77,705 15,706 2,707 45,709 81,710 30,711 12,712 5,713 7,717 5,718 6,719 2,724 5,727 7,729 15,730 15,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 41,810 12,811 2,812 1,813 1,814 3,815 2,824 2,825 5.2,828 3,829 1,832 20.833,833 13.352,834 9.028,835 4.852,836 1.736,837 1.208,838 0.961,839 10.9,840 10.082,841 4.007,842 4.489,843 4.92,844 5.369,845 5.812,846 5.877,847 6.058,848 6.301,849 6.509,850 6.5,851 1,852 64,853 15.408,854 6.742,855 7.766,856 29.615,857 25.118,859 2.266,860 92.889,864 400.217,865 161.611,866 42.27,867 78.297,868 86.435,870 32.22,871 129.392,872 564.949,873 42.27,875 71.532,876 66.334,877 100.549,878 19.682,879 11.771,880 420.666,881 78.297,882 400.217,883 171.662,884 86.435,885 110.517,887 353.133,888 122.519,889 11,891 74.656,892 97.006,893 78.297,894 32.22,895 400.217,896 128.705,897 239.908,900 400.217,901 95.277,902 72.582,903 36.022,904 164.732,905 400.217,906 128.705,907 239.908,909 0.577,910 0.334,911 0.186,912 0.104,913 28,914 13,915 0.123,916 10,917 1,918 1.074,919 5.081,920 407.31,921 0.074,922 27,923 215.66,924 1,928 30.646,929 14.583,930 7.978,932 128.705,933 13.32,938 4.007,940 36.022,941 768.831,942 54,946 39.743,950 -0.651,952 77.461,953 86.697,954 0.272,955 0.572,956 0.8,957 0.907,958 0.921,959 0.925,960 5.268,961 1.946,962 6.192,963 6.215,964 4.828,965 5.176,966 3.944,967 6.993,968 4.715,969 6.421,970 1.706,971 7.742,972 5.573,973 4.369,974 4.902,975 2.909,976 7.872,977 4.18,978 7.701,979 1.618,980 9.394,981 4.895,982 6.405,983 7.167,984 6.086,985 11.005,986 6.196,987 9.009,988 1.613,989 11.109,990 4.38,991 6.781,992 7.703,993 5.238,994 12.765,995 6.498,996 10.353,997 1.515,998 12.866,999 3.743,1000 8.278,1001 9.48,1002 8.608,1003 15.418,1004 7.971,1005 11.72,1006 1.271,1007 14.653,1008 3.307,1009 9.058,1010 10.398,1011 7.914,1012 17.55,1013 8.677,1014 13.107,1015 1.257,1016 16.464,1017 3.124,1018 10.335,1019 11.975,1020 11.213,1021 20.042,1022 9.922,1023 3.267,1024 1.174,1025 18.292,1026 2.824,1027 11.312,1028 13.086,1029 10.72,1030 22.334,1031 10.828,1032 3.042,1033 11.459,1034 20.135,1035 2.701,1036 12.504,1037 14.567,1038 13.839,1039 24.772,1040 11.977,1041 2.794,1042 10.233,1043 21.989,1044 3.947,1045 13.574,1046 15.784,1047 13.531,1048 27.132,1049 12.98,1050 2.525,1051 9.036,1052 23.853,1053 3.872,1054 14.736,1055 17.215,1056 16.47,1057 29.554,1058 14.092,1059 2.451,1060 7.193,1061 25.725,1062 3.387,1063 15.852,1064 18.491,1065 16.323,1066 31.946,1067 15.142,1068 2.296,1069 6.966,1070 27.603,1071 2.893,1072 17.007,1073 19.893,1074 19.103,1075 34.365,1076 16.241,1077 2.178,1078 6.518,1079 29.486,1080 2.812,1081 18.145,1082 21.204,1083 19.094,1084 36.773,1085 17.314,1086 27906,1087 46140,1088 30.224,1089 52.148,1090 67.077,1091 71.758,1092 68.657,1093 66.9,1094 66.579,1095 78.6,1096 25.703,1097 188.359,1098 62.529,1099 5.432,1100 6.788,1101 6.677,1102 5.332,1103 5.267,1104 6.947,1105 7.434,1106 18.974,1107 5.024,1108 19.39,1109 1.491,1110 1.595,1111 1.526,1112 1.487,1113 1.48,1114 1.747,1115 0.571,1116 4.186,1117 1.39,1118 4.034,1119 4.066,1120 4.168,1121 3.967,1122 7.435,1123 3.956,1124 3.96,1125 3.983,1126 3.967,1127 3.913,1128 7.427,1129 3.896,1130 3.829,1131 3.89,1132 3.927,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.792,1138 3.708,1139 3.616,1140 5.014,1141 3.618,1142 3.635,1143 3.688,1144 3.582,1145 3.431,1146 4.745,1147 3.441,1148 3.54,1149 3.596,1150 3.549,1151 3.398,1152 4.629,1153 3.39,1154 3.445,1155 3.503,1156 3.466,1157 3.257,1158 4.627,1159 3.263,1160 3.306,1161 3.349,1162 3.307,1163 3.116,1164 4.235,1165 3.114,1166 0.098,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.432,1172 0.088,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.191,1178 0.067,1179 3.267,1180 3.947,1181 3.784,1182 11.459,1183 3.024,1184 1.999,1185 1.969,1186 2.129,1187 2.091,1188 1.432,1189 2.105,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.176,1201 1.97,1202 1.652,1203 1.619,1204 1.825,1205 1.862,1206 1.105,1207 1.852,1208 1.586,1209 1.532,1210 1.792,1211 1.802,1212 1.086,1213 1.802,1214 1.529,1215 1.474,1216 1.753,1217 1.691,1218 0.934,1219 1.715,1220 1.433,1221 1.378,1222 1.637,1223 1.645,1224 0.869,1225 1.658,1226 1.215,1227 1.164,1228 1.513,1229 1.448,1230 0.825,1231 1.446,1232 4.511,1233 5.826,1234 2.398,1235 7.33,1236 4.844,1237 8.924,1238 7.018,1239 10.567,1242 12.663,1247 8.301,1248 6.107,1249 5.382,1250 1.355,1251 -1.186,1252 3.849,1257 48.742,1258 131.219,1259 275.838,1260 385.872,1261 437.788,1262 444.543,1263 446.543,1264 109.972,1265 8.346,1266 90.98,1267 116.28,1268 29,1269 12.912,1270 4,1271 3.322,1272 66.148,1273 212,1274 262,1275 0.142,1276 306.186,1277 548.29,1278 738.854,1279 56439,1280 2.6,1281 28.769,1282 0.702,1283 0.617,1284 30.123,1285 25.279,1286 19.885,1287 0.442,1288 0.354,1289 14.202,1290 18.181,1291 13.812,1292 11.243,1293 20.871,1294 15.935,1295 17.847,1296 0.288,1297 0.207,1298 19.242,1299 12.813,1300 14.684,1301 0.181,1302 0.122,1303 16.137,1304 9.855,1305 12.474,1306 0.117,1307 0.073,1308 14.31,1309 7.783,1310 10.069,1311 0.076,1312 0.041,1313 11.383,1314 5.462,1315 0.226,1316 134.488,1317 0.182,1318 37,1319 0.382,1320 214,1321 624.165,1322 289.343,1323 670.38,1324 874.39,1325 626,1326 250,1327 550.272,1328 315.347,1329 583.635,1330 862.21,1331 551,1332 5.174}
{0 CHEMBL295405,1 1.696,2 13.378,3 4.86,4 23.619,5 149.358,6 8.463,7 0.415,8 4.287,9 4.39,10 3.996,11 3.902,12 5.326,13 3.851,14 4.866,15 5.022,16 4.411,17 4.336,18 5.881,19 4.253,20 5.142,21 5.331,22 4.512,23 4.507,24 6.123,25 4.386,26 5.204,27 5.407,28 4.594,29 4.506,30 6.211,31 4.357,32 5.208,33 5.445,34 4.414,35 4.423,36 6.241,37 4.29,38 5.144,39 5.351,40 4.494,41 4.415,42 6.225,43 4.295,44 5.159,45 5.353,46 4.456,47 4.427,48 6.264,49 4.308,50 5.134,51 5.32,52 4.515,53 4.407,54 6.324,55 4.286,56 0.039,57 0.917,58 11.919,59 6.269,60 7.549,61 7.752,62 0.382,63 1.601,64 28.88,65 11.31,66 30.502,67 13.635,68 0.566,69 1.968,70 44.988,71 16.125,72 57.429,73 19.36,74 0.61,75 2.063,76 58.352,77 17.964,78 72.788,79 21.455,80 0.743,81 2.095,82 52.006,83 17.403,84 91.6,85 21.85,86 0.672,87 1.885,88 51.83,89 16.234,90 78.053,91 19.426,92 0.623,93 1.896,94 50.296,95 16.674,96 88.041,97 19.164,98 0.909,99 1.835,100 51.726,101 16.614,102 114.957,103 18.888,104 17,105 57,106 0.268,107 0.563,108 0.742,109 0.851,110 0.878,111 0.888,112 3.642,113 1.034,114 -4.97,115 -4.87,116 -4.57,119 42.4,121 1,125 7,127 1,128 1,138 10,139 4,140 2,151 2,163 13,165 1,166 3,169 1,171 2,172 23,175 2,176 4,181 2,183 16,187 6,192 4,194 14,197 3,198 5,201 2,203 3,205 5,208 1,209 10,214 2,217 8,221 9,226 1,227 5,230 2,231 11,234 1,236 3,238 6,242 9,249 6,252 2867,253 25.206,254 25.206,255 25.206,256 25.206,257 25.206,258 22.855,259 25.289,260 14.973,261 25.994,262 20.248,263 20.248,264 20.248,265 20.248,266 20.248,267 16.671,268 28.167,269 7.131,270 21.594,271 4.348,272 2.477,273 1.344,274 0.659,275 0.485,276 0.424,277 4.348,279 2,283 1,284 1085,285 3.674,287 108.54,288 483.681,292 190.926,295 1.969,296 39.819,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 79.167,308 495,309 4.493,310 4.787,311 6.87,312 4.183,313 3.261,314 4.43,315 3.784,316 11.432,317 3.028,318 4.428,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.998,327 4.102,328 3.525,329 6.202,330 3.737,331 2.793,332 3.373,333 1.864,334 9.025,335 2.619,336 3.678,337 3.286,338 5.489,339 3.447,340 2.523,341 2.943,342 0.896,343 7.091,344 2.356,345 3.516,346 3.104,347 5.331,348 3.361,349 2.392,350 2.831,351 0.86,352 6.856,353 2.277,354 3.508,355 3.02,356 5.22,357 3.11,358 2.174,359 2.727,360 0.8,361 6.307,362 2.073,363 3.453,364 2.876,365 5.083,366 3.031,367 2.063,368 2.515,369 0.561,370 5.994,371 1.883,372 3.118,373 2.651,374 4.849,375 2.723,376 1.808,377 2.427,379 5.244,380 1.618,381 2.999,382 2.29,383 4.625,384 2.618,385 1.618,386 2.097,388 4.485,389 1.609,390 2.812,391 2.181,392 4.162,393 2.463,394 1.608,395 1.904,397 3.794,398 1.3,399 2.769,400 1.844,401 4.001,402 2.333,403 1.466,404 1.84,406 3.169,407 1.277,408 2.563,409 1.68,410 3.67,411 2.274,412 1.275,413 1.519,415 3.114,416 1.249,417 2.49,418 1.618,419 3.598,420 2.116,421 1.176,422 1.488,424 2.847,425 1.067,426 2.402,427 1.353,428 3.427,429 1.997,430 1.011,431 1.357,433 2.322,434 0.989,435 2,436 1.256,437 3.325,438 1.952,439 1,440 1,442 2.136,443 0.946,444 18.462,445 0.499,446 0.853,447 0.023,448 43,449 1.162,450 19,451 0.514,452 24,453 0.649,454 40.217,455 1.087,456 39.738,457 0.602,458 33.986,459 0.919,460 8.226,461 0.222,462 9.765,463 0.264,464 0.113,466 0.314,472 0.672,473 1.266,474 0.608,475 0.913,476 0.521,477 0.893,478 0.931,479 1.071,480 0.842,481 0.919,482 0.604,483 0.909,484 1.041,485 0.97,486 0.981,487 0.97,488 1.023,489 0.984,490 0.922,491 1.204,492 0.938,493 1.133,494 1.167,495 1.092,496 0.751,497 1.003,498 0.812,499 0.944,500 0.801,501 0.885,502 1.066,503 0.992,504 0.927,505 0.978,506 1.25,507 0.957,508 1.398,509 1.032,510 1.102,511 1.055,512 1.841,513 0.996,514 1.172,515 1.024,516 1.127,517 1.141,518 1.512,519 1.033,520 6.5,521 0.275,522 4.222,523 2.826,524 2.02,525 1.435,526 0.885,527 0.734,528 0.42,529 0.377,530 22250,531 62782,532 2.116,533 43.9,535 25,536 1,538 1,539 2,542 1.784,543 2,544 3.684,545 -0.365,550 111.933,551 1.696,552 3.567,553 4.7,554 5.385,555 5.56,556 5.62,557 3.057,558 4.885,559 5.18,560 3.887,561 2589.07,562 9.136,563 43012.9,568 398.93,569 1.338,570 5.15,571 0.159,572 0.006,573 0.074,574 0.048,575 0.037,576 0.027,577 0.016,578 0.014,579 0.008,580 0.008,581 0.396,582 0.17,583 0.75,584 0.488,585 204.184,586 -0.025,587 -0.126,588 0.035,589 -0.007,590 -0.011,591 0.013,592 -0.051,593 0.072,594 -0.021,595 0.055,596 0.001,597 0.009,598 -0.09,599 0.079,600 -0.047,601 0.029,602 -0.092,603 -0.022,604 0.003,605 -0.183,606 0.067,607 -0.09,608 -0.052,609 -0.102,610 0.154,611 0.023,612 0.084,613 0.055,614 0.175,615 0.1,616 0.011,617 0.017,618 0.051,619 0.01,620 0.012,621 0.011,622 -0.165,623 -0.026,624 -0.078,625 -0.023,626 -0.165,627 -0.032,628 0.103,629 -0.019,630 -0.031,631 -0.074,632 0.056,633 -0.062,634 1.811,635 6.537,636 0.73,637 44.69,638 1.006,639 1.117,640 3.741,641 13.996,642 0.703,643 3.738,644 4.06,645 4.344,646 4.615,647 4.836,648 4.89,649 5.004,650 5.118,651 5.22,652 5.242,653 8.11,654 0.658,655 558.57,656 3.738,657 5.283,658 6.138,659 7.017,660 7.889,661 8.775,662 9.655,663 10.546,664 11.432,665 12.326,666 4.5,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 66,705 19,706 3,707 41,709 70,710 28,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 2,729 18,730 10,733 2,737 2,741 2,747 29,748 6,749 1,750 9,751 3,755 3,760 0.8,761 3,775 1,776 4,780 1,783 1,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 37,810 8,811 1,812 1,813 1,814 2,815 2,824 2,825 4.5,828 2,829 1,832 18.5,833 11.602,834 8.111,835 3.991,836 2.858,837 1.348,838 0.982,839 8.831,840 11.066,841 3.961,842 4.511,843 5.042,844 5.566,845 6.08,846 6.247,847 6.523,848 6.826,849 7.112,850 6.885,851 0.889,852 59,853 13.815,854 6.007,855 7.718,856 26.594,857 22.473,859 2.218,860 82.056,864 329.591,865 177.157,866 24.259,867 78.297,868 61.29,870 32.22,871 144.938,872 469.178,873 24.259,875 43.383,876 94.762,877 70.699,878 21.643,879 11.771,880 350.039,881 78.297,882 329.591,883 169.197,884 61.29,885 110.517,887 329.591,888 50.29,889 11,891 46.507,892 122.69,893 78.297,894 32.22,895 329.591,896 85.549,897 255.455,900 329.591,901 82.395,902 101.011,903 18.011,904 139.587,905 329.591,906 85.549,907 255.455,909 0.58,910 0.341,911 0.188,912 0.104,913 27,914 12,915 0.114,916 8,917 1,918 1.074,919 4.75,920 360.381,921 0.074,922 27,923 186.75,924 1,928 26.638,929 12.266,930 6.374,931 2.248,932 85.549,933 19.546,938 2.961,940 18.011,941 670.595,942 51.5,946 26.497,950 -0.177,952 66.382,953 73.744,954 0.281,955 0.59,956 0.778,957 0.891,958 0.92,959 0.93,960 5.211,961 1.808,962 6.116,963 5.994,964 4.745,965 5.198,966 3.808,967 6.927,968 4.625,969 6.388,970 1.618,971 7.673,972 5.244,973 4.29,974 4.966,975 2.668,976 7.83,977 4.086,978 7.681,979 1.608,980 9.332,981 4.485,982 6.333,983 7.326,984 6.04,985 10.959,986 6.118,987 9.008,988 1.466,989 11.054,990 3.794,991 6.723,992 7.947,993 5.115,994 12.737,995 6.432,996 10.371,997 1.275,998 12.818,999 3.169,1000 8.22,1001 9.801,1002 8.596,1003 15.384,1004 7.912,1005 11.758,1006 1.176,1007 14.612,1008 3.114,1009 9.011,1010 10.84,1011 7.878,1012 17.525,1013 8.633,1014 13.165,1015 1.011,1016 16.428,1017 2.847,1018 10.289,1019 12.483,1020 11.21,1021 20.014,1022 9.883,1023 3.261,1024 1,1025 18.26,1026 2.322,1027 11.272,1028 13.736,1029 10.71,1030 22.308,1031 10.8,1032 3.032,1033 11.432,1034 20.107,1035 2.136,1036 12.464,1037 15.283,1038 13.838,1039 24.743,1040 11.954,1041 2.793,1042 10.196,1043 21.964,1044 4.43,1045 13.538,1046 16.644,1047 13.529,1048 27.103,1049 12.965,1050 2.523,1051 9.025,1052 23.83,1053 3.947,1054 14.7,1055 18.149,1056 16.469,1057 29.522,1058 14.081,1059 2.392,1060 7.091,1061 25.703,1062 3.373,1063 15.817,1064 19.566,1065 16.321,1066 31.913,1067 15.136,1068 2.174,1069 6.856,1070 27.582,1071 2.943,1072 16.972,1073 21.053,1074 19.103,1075 34.329,1076 16.238,1077 2.063,1078 6.307,1079 29.467,1080 2.831,1081 18.11,1082 22.499,1083 19.093,1084 36.735,1085 17.316,1086 20711,1087 34999,1088 27.739,1089 46.404,1090 61.374,1091 65.764,1092 62.819,1093 61.372,1094 61.012,1095 75.759,1096 21.347,1097 174.239,1098 57.034,1099 5.493,1100 6.787,1101 6.672,1102 5.324,1103 5.261,1104 7.43,1105 7.434,1106 18.946,1107 5.028,1108 16.224,1109 1.497,1110 1.604,1111 1.532,1112 1.497,1113 1.488,1114 1.848,1115 0.521,1116 4.25,1117 1.391,1118 4.096,1119 4.119,1120 4.168,1121 4.056,1122 7.432,1123 4.051,1124 3.976,1125 4,1126 4.039,1127 3.928,1128 7.423,1129 3.907,1130 3.813,1131 3.863,1132 3.957,1133 3.681,1134 5.015,1135 3.667,1136 3.742,1137 3.773,1138 3.677,1139 3.566,1140 4.896,1141 3.571,1142 3.564,1143 3.615,1144 3.585,1145 3.429,1146 4.631,1147 3.423,1148 3.446,1149 3.493,1150 3.501,1151 3.282,1152 4.625,1153 3.294,1154 3.283,1155 3.345,1156 3.345,1157 3.122,1158 4.348,1159 3.106,1160 3.132,1161 3.206,1162 3.208,1163 3.019,1164 4.226,1165 2.996,1166 0.11,1167 0.117,1168 0.168,1169 0.102,1170 0.08,1171 4.493,1172 0.108,1173 4.787,1174 0.092,1175 6.87,1176 0.279,1177 4.183,1178 0.074,1179 3.261,1180 4.43,1181 3.784,1182 11.432,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.973,1193 2.003,1194 1.275,1195 2.001,1196 1.745,1197 1.684,1198 1.931,1199 1.941,1200 1.169,1201 1.953,1202 1.647,1203 1.613,1204 1.8,1205 1.846,1206 1.1,1207 1.837,1208 1.511,1209 1.469,1210 1.705,1211 1.707,1212 0.963,1213 1.705,1214 1.448,1215 1.393,1216 1.665,1217 1.607,1218 0.826,1219 1.636,1220 1.272,1221 1.222,1222 1.513,1223 1.464,1224 0.825,1225 1.483,1226 1.153,1227 1.064,1228 1.495,1229 1.376,1230 0.613,1231 1.429,1232 4.419,1233 5.74,1234 2.398,1235 7.255,1236 4.844,1237 8.859,1238 7.018,1239 10.511,1242 12.676,1247 4.941,1248 3.022,1249 5.449,1250 1.484,1251 -0.747,1252 4.157,1257 43.426,1258 111.933,1259 235.433,1260 310.201,1261 355.42,1262 366.93,1263 370.93,1264 80.153,1265 8.208,1266 61.88,1267 87.18,1268 29,1269 12.854,1270 4.322,1271 3.524,1272 56.575,1273 177,1274 173,1275 0.149,1276 273.283,1277 480.36,1278 658.571,1279 46828,1280 3,1281 25.777,1282 0.697,1283 0.613,1284 27.131,1285 22.697,1286 17.991,1287 0.439,1288 0.345,1289 12.434,1290 16.421,1291 12.05,1292 9.802,1293 18.977,1294 14.136,1295 16.141,1296 0.283,1297 0.2,1298 17.536,1299 11.379,1300 13.683,1301 0.18,1302 0.117,1303 15.137,1304 8.876,1305 11.551,1306 0.116,1307 0.069,1308 13.397,1309 6.944,1310 9.325,1311 0.075,1312 0.039,1313 10.611,1314 4.826,1315 0.236,1316 122.139,1317 0.19,1318 33.832,1319 0.405,1320 196,1321 560.097,1322 267.075,1323 615.285,1324 810.08,1325 576,1326 231,1327 512.664,1328 292.633,1329 549.642,1330 813.66,1331 519,1332 5.046}
{0 CHEMBL295424,1 1.714,2 15.786,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.475,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.034,19 4.353,20 5.284,21 5.481,22 4.656,23 4.603,24 6.311,25 4.485,26 5.332,27 5.55,28 4.514,29 4.575,30 6.325,31 4.44,32 5.329,33 5.558,34 4.591,35 4.515,36 6.48,37 4.396,38 5.291,39 5.517,40 4.535,41 4.473,42 6.365,43 4.362,44 5.251,45 5.459,46 4.537,47 4.439,48 6.448,49 4.352,50 5.187,51 5.364,52 4.566,53 4.438,54 6.488,55 4.337,56 0.066,57 1.081,58 14.293,59 7.216,60 10.286,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 39.73,67 15.831,68 0.807,69 2.24,70 55.311,71 18.16,72 85.215,73 22.155,74 0.692,75 2.341,76 57.406,77 19.373,78 87.923,79 23.969,80 0.979,81 2.277,82 59.698,83 18.833,84 139.148,85 23.946,86 0.772,87 2.142,88 57.343,89 17.876,90 95.854,91 22.014,92 0.936,93 2.018,94 53.616,95 16.409,96 120.749,97 19.476,98 1.009,99 1.898,100 52.73,101 16.567,102 153.578,103 19.205,104 26,105 63,106 0.263,107 0.559,108 0.75,109 0.859,110 0.886,111 0.894,112 3.765,113 1.03,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 14,165 1,166 4,169 2,171 3,172 20,175 2,176 5,179 1,181 2,183 20,187 5,190 1,192 4,194 11,197 3,198 9,201 3,203 5,205 7,208 1,209 9,214 5,217 6,220 1,221 10,224 1,226 3,227 8,230 1,231 8,234 2,235 1,236 2,238 9,241 2,242 10,247 2,249 8,252 4484,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 30.986,260 17.047,261 29.283,262 22.715,263 22.715,264 22.715,265 22.715,266 22.715,267 18.855,268 35.822,269 8.138,270 24.11,271 4.534,272 2.606,273 1.362,274 0.651,275 0.474,276 0.421,277 4.468,279 2,283 1,284 1439,285 4.416,287 132.35,288 589.18,292 229.971,295 2.728,296 51.795,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 663,309 4.493,310 4.786,311 6.82,312 4.169,313 3.243,314 4.43,315 3.784,316 11.27,317 3.028,318 4.392,319 3.653,320 6.506,321 4.03,322 3.031,323 3.913,324 1.963,325 10.196,326 2.997,327 4.143,328 3.615,329 6.043,330 3.719,331 2.801,332 3.433,333 1.909,334 8.595,335 2.59,336 3.719,337 3.506,338 5.774,339 3.46,340 2.525,341 2.956,342 1.859,343 7.624,344 2.405,345 3.627,346 3.307,347 5.355,348 3.432,349 2.476,350 2.878,351 0.901,352 6.966,353 2.31,354 3.551,355 3.147,356 5.339,357 3.301,358 2.333,359 2.825,360 0.86,361 6.736,362 2.248,363 3.517,364 3.1,365 5.213,366 3.193,367 2.223,368 2.691,369 0.8,370 6.311,371 2.072,372 3.452,373 2.885,374 4.985,375 3.047,376 2.044,377 2.519,378 0.561,379 5.833,380 1.977,381 3.118,382 2.29,383 4.749,384 2.618,385 1.69,386 2.427,387 0.215,388 4.9,389 1.618,390 2.822,391 2.183,392 4.346,393 2.614,394 1.618,395 1.95,397 3.795,398 1.548,399 2.781,400 2.176,401 4.161,402 2.483,403 1.564,404 1.904,406 3.704,407 1.425,408 2.766,409 2.033,410 4.034,411 2.307,412 1.414,413 1.781,415 3.476,416 1.274,417 2.612,418 1.801,419 3.716,420 2.275,421 1.277,422 1.606,424 3.308,425 1.202,426 2.577,427 1.678,428 3.599,429 2.179,430 1.26,431 1.521,433 2.847,434 1.139,435 2.402,436 1.618,437 3.478,438 2.157,439 1.254,440 1.358,442 2.706,443 1.082,444 20.695,445 0.493,446 0.959,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.012,455 1.119,456 45.905,457 0.604,458 40.728,459 0.97,460 9.218,461 0.219,462 11.167,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.519,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.584,483 0.946,484 0.994,485 0.974,486 0.916,487 0.955,488 1.012,489 0.982,490 0.975,491 1.1,492 0.979,493 1.096,494 1.135,495 1.049,496 0.727,497 1.055,498 0.728,499 0.974,500 0.841,501 0.931,502 1.116,503 1.014,504 0.807,505 0.907,506 1.306,507 0.895,508 1.474,509 0.872,510 0.993,511 0.852,512 1.728,513 0.856,514 1.254,515 1.075,516 1.173,517 1.133,518 1.607,519 1.055,520 7.5,521 0.373,522 4.667,523 2.826,524 2.295,525 1.459,526 1.067,527 0.777,528 0.525,529 0.437,530 32737,531 92306,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.89,545 0.149,550 130.289,551 1.714,552 3.642,553 4.886,554 5.596,555 5.774,556 5.827,557 3.385,558 5.202,559 5.357,560 4.139,561 3563.36,562 9.495,563 66947.9,568 474.842,569 1.351,570 5.33,571 0.163,572 0.007,573 0.074,574 0.043,575 0.039,576 0.024,577 0.018,578 0.013,579 0.009,580 0.008,581 0.398,582 0.17,583 0.63,584 0.494,585 243.267,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.012,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.013,597 -0.007,598 -0.035,599 0.074,600 0.028,601 0.051,602 -0.065,603 -0.01,604 -0.08,605 -0.073,606 -0.049,607 -0.067,608 -0.086,609 -0.06,610 0.222,611 -0.052,612 0.155,613 0.009,614 0.228,615 0.05,616 -0.047,617 -0.018,618 0.1,619 0.062,620 -0.055,621 0.073,622 -0.139,623 0.131,624 0.004,625 0.107,626 -0.095,627 0.081,628 0.068,629 -0.073,630 -0.057,631 -0.088,632 0.079,633 -0.093,634 1.967,635 6.565,636 0.643,637 63.787,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.419,646 4.663,647 4.89,648 4.92,649 5.037,650 5.13,651 5.209,652 5.204,653 9.453,654 0.648,655 629.66,656 3.85,657 5.389,658 6.232,659 7.101,660 7.964,661 8.839,662 9.712,663 10.593,664 11.473,665 12.358,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.278,835 4.595,836 2.753,837 1.329,838 0.971,839 11.046,840 11.126,841 4.069,842 4.595,843 5.092,844 5.593,845 6.114,846 6.268,847 6.563,848 6.856,849 7.142,850 6.897,851 0.909,852 65,853 15.724,854 6.826,855 7.791,856 30.012,857 25.071,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.577,910 0.335,911 0.179,912 0.101,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.212,920 414.456,921 0.074,922 27,923 220.477,924 1,928 31.111,929 14.912,930 8.2,931 2.179,932 128.705,933 19.195,938 2.531,940 36.022,941 770.18,942 57.5,946 39.485,950 -0.715,952 76.578,953 85.282,954 0.274,955 0.583,956 0.782,957 0.896,958 0.924,959 0.933,960 5.314,961 2.044,962 6.205,963 6.311,964 4.844,965 5.283,966 3.944,967 6.995,968 4.734,969 6.484,970 1.69,971 7.751,972 5.833,973 4.369,974 5.047,975 2.909,976 7.858,977 4.189,978 7.771,979 1.618,980 9.399,981 4.9,982 6.415,983 7.382,984 6.086,985 10.976,986 6.213,987 9.091,988 1.564,989 11.109,990 3.795,991 6.781,992 7.996,993 5.238,994 12.714,995 6.507,996 10.446,997 1.414,998 12.861,999 3.704,1000 8.278,1001 9.833,1002 8.608,1003 15.349,1004 7.982,1005 11.825,1006 1.277,1007 14.642,1008 3.476,1009 9.046,1010 10.862,1011 7.914,1012 17.46,1013 8.681,1014 13.224,1015 1.26,1016 16.444,1017 3.308,1018 10.321,1019 12.495,1020 11.213,1021 19.935,1022 9.928,1023 3.243,1024 1.254,1025 18.264,1026 2.847,1027 11.285,1028 13.74,1029 10.72,1030 22.208,1031 10.829,1032 3.031,1033 11.27,1034 20.098,1035 2.706,1036 12.471,1037 15.283,1038 13.839,1039 24.629,1040 11.979,1041 2.801,1042 10.196,1043 21.942,1044 4.43,1045 13.53,1046 16.639,1047 13.531,1048 26.972,1049 12.98,1050 2.525,1051 8.595,1052 23.796,1053 3.913,1054 14.685,1055 18.141,1056 16.47,1057 29.378,1058 14.093,1059 2.476,1060 7.624,1061 25.658,1062 3.433,1063 15.791,1064 19.556,1065 16.323,1066 31.754,1067 15.142,1068 2.333,1069 6.966,1070 27.526,1071 2.956,1072 16.938,1073 21.041,1074 19.103,1075 34.156,1076 16.242,1077 2.223,1078 6.736,1079 29.399,1080 2.878,1081 18.067,1082 22.486,1083 19.094,1084 36.548,1085 17.316,1086 30654,1087 51765,1088 30.917,1089 52.387,1090 68.472,1091 73.508,1092 69.864,1093 68.289,1094 68.027,1095 83.844,1096 25.703,1097 191.316,1098 64.011,1099 5.493,1100 6.786,1101 6.622,1102 5.309,1103 5.243,1104 7.43,1105 7.434,1106 18.644,1107 5.028,1108 19.877,1109 1.489,1110 1.598,1111 1.519,1112 1.485,1113 1.479,1114 1.823,1115 0.559,1116 4.159,1117 1.392,1118 4.097,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.975,1125 3.997,1126 4.041,1127 3.926,1128 7.427,1129 3.906,1130 3.83,1131 3.89,1132 3.992,1133 3.681,1134 7.422,1135 3.667,1136 3.771,1137 3.797,1138 3.708,1139 3.616,1140 5.041,1141 3.62,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 4.896,1147 3.449,1148 3.54,1149 3.593,1150 3.499,1151 3.402,1152 4.628,1153 3.401,1154 3.443,1155 3.49,1156 3.401,1157 3.277,1158 4.491,1159 3.284,1160 3.323,1161 3.368,1162 3.352,1163 3.145,1164 4.348,1165 3.141,1166 0.098,1167 0.104,1168 0.148,1169 0.091,1170 0.07,1171 4.493,1172 0.096,1173 4.786,1174 0.082,1175 6.82,1176 0.245,1177 4.169,1178 0.066,1179 3.243,1180 4.43,1181 3.784,1182 11.27,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.882,1192 1.987,1193 2.004,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.95,1199 1.962,1200 1.176,1201 1.972,1202 1.659,1203 1.626,1204 1.826,1205 1.868,1206 1.107,1207 1.858,1208 1.587,1209 1.533,1210 1.795,1211 1.819,1212 1.087,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.68,1218 0.869,1219 1.684,1220 1.433,1221 1.379,1222 1.632,1223 1.605,1224 0.825,1225 1.63,1226 1.272,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.483,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.93,1238 7.018,1239 10.565,1242 12.429,1247 5.728,1248 5.918,1249 5.379,1250 1.352,1251 -1.103,1252 3.844,1257 49.216,1258 130.289,1259 276.787,1260 371.359,1261 425.333,1262 438.842,1263 442.842,1264 108.754,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.892,1270 4.392,1271 3.644,1272 68.703,1273 229,1274 272,1275 0.136,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.385,1287 0.443,1288 0.343,1289 14.061,1290 18.709,1291 13.655,1292 11.144,1293 21.371,1294 15.797,1295 18.157,1296 0.288,1297 0.198,1298 19.515,1299 12.496,1300 15.205,1301 0.185,1302 0.118,1303 16.994,1304 9.702,1305 12.246,1306 0.117,1307 0.067,1308 13.638,1309 7.002,1310 10.191,1311 0.077,1312 0.038,1313 11.525,1314 5.047,1315 0.218,1316 137.534,1317 0.18,1318 37.914,1319 0.362,1320 218,1321 650.165,1322 293.01,1323 698.295,1324 912.96,1325 652,1326 254,1327 577.99,1328 324.775,1329 614.324,1330 905.44,1331 579,1332 4.602}
{0 CHEMBL295560,1 1.714,2 15.762,3 3.278,4 10.743,5 158,6 7.852,7 0.37,8 4.426,9 4.54,10 4.056,11 3.972,12 5.527,13 3.944,14 5.006,15 5.172,16 4.442,17 4.389,18 6.105,19 4.33,20 5.291,21 5.495,22 4.526,23 4.543,24 6.371,25 4.455,26 5.346,27 5.565,28 4.539,29 4.534,30 6.507,31 4.429,32 5.334,33 5.566,34 4.503,35 4.474,36 6.514,37 4.381,38 5.305,39 5.533,40 4.438,41 4.412,42 6.52,43 4.335,44 5.258,45 5.474,46 4.437,47 4.365,48 6.552,49 4.311,50 5.196,51 5.386,52 4.455,53 4.365,54 6.625,55 4.297,56 0.105,57 1.243,58 15.12,59 7.477,60 16.114,61 9.008,62 0.547,63 2.058,64 33.786,65 12.767,66 47.803,67 15.632,68 0.896,69 2.547,70 48.936,71 17.509,72 110.267,73 21.182,74 1.103,75 2.763,76 55.821,77 18.648,78 156.447,79 22.917,80 1.037,81 2.426,82 54.054,83 17.798,84 157.46,85 23.155,86 1.127,87 2.435,88 52.996,89 16.849,90 157.85,91 20.855,92 1.173,93 2.289,94 48.756,95 15.345,96 170.101,97 18.576,98 1.279,99 2.252,100 46.052,101 15.681,102 223.823,103 18.16,104 26,105 63,106 0.263,107 0.559,108 0.754,109 0.863,110 0.886,111 0.894,112 3.765,113 0.981,114 -4.18,115 -4.12,116 -3.89,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 19,175 2,176 4,179 1,181 2,183 14,187 6,190 1,192 4,194 10,197 3,198 7,201 3,203 5,205 5,208 1,209 8,214 4,217 6,220 1,221 9,224 1,226 3,227 7,230 1,231 7,234 2,235 1,236 2,238 7,241 2,242 8,249 8,252 4460,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 30.723,260 17.084,261 29.163,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 34.875,269 8.163,270 23.834,271 4.534,272 2.606,273 1.335,274 0.625,275 0.474,276 0.421,277 4.468,283 1,284 1437,285 4.416,287 131.506,288 587.815,292 229.217,295 2.751,296 67.011,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 93,308 662,309 4.493,310 4.788,311 6.875,312 4.194,313 3.266,314 4.43,315 3.784,316 11.459,317 3.031,318 4.432,319 3.668,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.022,327 4.109,328 3.615,329 6.204,330 3.761,331 2.796,332 3.387,333 1.909,334 9.037,335 2.69,336 3.706,337 3.514,338 5.511,339 3.454,340 2.525,341 2.947,342 1.859,343 7.123,344 2.414,345 3.604,346 3.253,347 5.34,348 3.425,349 2.45,350 2.839,351 0.901,352 6.965,353 2.312,354 3.517,355 3.104,356 5.22,357 3.278,358 2.288,359 2.812,360 0.86,361 6.316,362 2.251,363 3.508,364 2.987,365 5.132,366 3.129,367 2.174,368 2.695,369 0.8,370 6.215,371 2.077,372 3.45,373 2.885,374 4.983,375 3.043,376 2.047,377 2.519,378 0.561,379 5.815,380 2.004,381 3.118,382 2.622,383 4.805,384 2.673,385 1.747,386 2.427,387 0.215,388 5.047,389 1.618,390 2.979,391 2.29,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.596,399 2.771,400 2.176,401 4.162,402 2.534,403 1.614,404 1.904,406 3.792,407 1.478,408 2.74,409 1.818,410 3.999,411 2.429,412 1.528,413 1.755,415 3.309,416 1.36,417 2.611,418 1.678,419 3.715,420 2.275,421 1.276,422 1.605,424 3.125,425 1.274,426 2.563,427 1.671,428 3.599,429 2.179,430 1.26,431 1.518,433 2.847,434 1.138,435 2.402,436 1.618,437 3.478,438 2.121,439 1.174,440 1.358,442 2.704,443 1.082,444 19.838,445 0.472,446 0.959,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 44.843,455 1.068,456 46.762,457 0.615,458 43.154,459 1.027,460 9.481,461 0.226,462 10.904,463 0.26,464 0.079,466 0.318,470 2,472 0.632,473 1.152,474 0.726,475 1.05,476 0.505,477 0.975,478 0.784,479 1.027,480 1.013,481 1.057,482 0.553,483 1,484 0.99,485 0.966,486 1.057,487 1.008,488 0.969,489 1.007,490 0.877,491 0.979,492 1.074,493 1.129,494 0.973,495 1.063,496 0.688,497 0.931,498 0.885,499 1.029,500 0.724,501 0.944,502 1.056,503 0.966,504 1.005,505 0.996,506 1.127,507 0.948,508 1.248,509 0.877,510 1.007,511 0.872,512 1.355,513 0.868,514 1.156,515 1.045,516 1.133,517 1.075,518 1.339,519 1.032,520 7.5,521 0.373,522 4.444,523 3.076,524 2.295,525 1.595,526 1.011,527 0.808,528 0.501,529 0.417,530 32589,531 91410,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.88,545 0.149,550 130.289,551 1.714,552 3.642,553 4.913,554 5.623,555 5.774,556 5.827,557 3.378,558 5.202,559 5.357,560 4.133,561 3558.59,562 9.495,563 66632.5,568 474.842,569 1.351,570 5.33,571 0.163,572 0.007,573 0.071,574 0.047,575 0.038,576 0.026,577 0.017,578 0.014,579 0.009,580 0.008,581 0.398,582 0.33,583 0.63,584 0.494,585 243.066,586 -0.035,587 -0.102,588 0.054,589 -0.007,590 -0.01,591 0.015,592 -0.024,593 -0.021,594 -0.037,595 -0.003,596 0.021,597 -0.025,598 -0.079,599 0.016,600 -0.043,601 0.022,602 -0.082,603 -0.021,604 0.035,605 -0.007,606 0.01,607 -0.071,608 0.014,609 -0.062,610 0.141,611 -0.086,612 0.146,613 -0.029,614 0.131,615 0.055,616 -0.006,617 -0.018,618 0.032,619 -0.015,620 -0.001,621 0.023,622 -0.063,623 0.064,624 0.018,625 0.078,626 -0.033,627 0.071,628 0.088,629 -0.01,630 -0.04,631 -0.031,632 0.112,633 -0.073,634 2.475,635 6.806,636 0.643,637 63.075,638 1.013,639 1.133,640 2.945,641 8.674,642 0.665,643 3.85,644 4.159,645 4.419,646 4.682,647 4.898,648 4.934,649 5.037,650 5.112,651 5.198,652 5.193,653 9.412,654 0.636,655 596.76,656 3.85,657 5.389,658 6.232,659 7.104,660 7.967,661 8.847,662 9.72,663 10.606,664 11.486,665 12.375,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,724 1,727 3,729 19,730 12,733 3,737 3,741 3,745 2,747 34,748 10,749 2,750 11,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,803 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.278,835 4.595,836 2.774,837 1.331,838 0.973,839 10.458,840 11.147,841 4.069,842 4.595,843 5.092,844 5.604,845 6.114,846 6.272,847 6.549,848 6.844,849 7.132,850 6.892,851 0.909,852 65,853 15.871,854 7.048,855 7.976,856 29.733,857 24.855,859 2.476,860 104,864 376.675,865 197.743,866 42.27,868 86.435,869 29.92,870 32.22,871 165.524,872 463.11,873 72.19,875 66.034,876 94.762,877 100.549,878 32.883,879 41.691,880 397.124,882 376.675,883 207.794,884 116.355,885 32.22,887 383.053,888 98.977,889 11,891 69.158,892 138.636,894 32.22,895 406.595,896 128.705,897 197.743,900 376.675,901 102.981,902 101.011,903 36.022,904 116.355,905 376.675,906 158.625,907 197.743,909 0.576,910 0.333,911 0.183,912 0.102,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.199,920 415.688,921 0.074,922 27,923 220.477,924 1,928 30.432,929 14.433,930 7.885,931 2.088,932 158.625,933 16.894,938 -0.504,940 36.022,941 733.043,942 57.5,946 39.213,950 -1.14,952 76.956,953 86.073,954 0.274,955 0.583,956 0.786,957 0.9,958 0.924,959 0.933,960 5.314,961 2.047,962 6.205,963 6.215,964 4.844,965 5.283,966 3.944,967 6.999,968 4.755,969 6.484,970 1.747,971 7.751,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.242,978 7.771,979 1.618,980 9.4,981 5.047,982 6.415,983 7.382,984 6.086,985 11,986 6.246,987 9.091,988 1.614,989 11.112,990 4.404,991 6.781,992 7.996,993 5.238,994 12.76,995 6.568,996 10.446,997 1.528,998 12.867,999 3.792,1000 8.281,1001 9.834,1002 8.608,1003 15.409,1004 8.03,1005 11.826,1006 1.276,1007 14.653,1008 3.309,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.75,1014 13.226,1015 1.26,1016 16.462,1017 3.125,1018 10.333,1019 12.501,1020 11.213,1021 20.033,1022 9.991,1023 3.266,1024 1.174,1025 18.289,1026 2.847,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.906,1032 3.032,1033 11.459,1034 20.131,1035 2.704,1036 12.497,1037 15.292,1038 13.839,1039 24.762,1040 12.055,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.065,1050 2.525,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.179,1059 2.45,1060 7.123,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.234,1068 2.288,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.336,1077 2.174,1078 6.316,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.414,1086 30514,1087 51389,1088 30.917,1089 50.546,1090 68.47,1091 73.213,1092 69.911,1093 68.163,1094 68.013,1095 83.823,1096 25.703,1097 191.3,1098 64.867,1099 5.493,1100 6.788,1101 6.677,1102 5.334,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.031,1108 19.779,1109 1.488,1110 1.592,1111 1.52,1112 1.482,1113 1.479,1114 1.822,1115 0.559,1116 4.159,1117 1.41,1118 4.097,1119 4.12,1120 4.113,1121 4.056,1122 8.211,1123 4.051,1124 3.981,1125 4.006,1126 4.034,1127 3.906,1128 8.191,1129 3.895,1130 3.831,1131 3.893,1132 3.796,1133 3.664,1134 7.435,1135 3.66,1136 3.774,1137 3.806,1138 3.708,1139 3.615,1140 7.427,1141 3.618,1142 3.643,1143 3.697,1144 3.554,1145 3.438,1146 7.422,1147 3.448,1148 3.541,1149 3.595,1150 3.486,1151 3.402,1152 4.898,1153 3.4,1154 3.443,1155 3.49,1156 3.341,1157 3.273,1158 4.629,1159 3.282,1160 3.323,1161 3.368,1162 3.241,1163 3.144,1164 4.519,1165 3.14,1166 0.098,1167 0.104,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.875,1176 0.249,1177 4.194,1178 0.066,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.031,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.891,1191 1.87,1192 1.987,1193 2.006,1194 1.299,1195 2.003,1196 1.766,1197 1.701,1198 1.964,1199 1.988,1200 1.163,1201 1.984,1202 1.659,1203 1.626,1204 1.827,1205 1.874,1206 1.106,1207 1.859,1208 1.587,1209 1.532,1210 1.795,1211 1.821,1212 1.085,1213 1.816,1214 1.506,1215 1.465,1216 1.692,1217 1.684,1218 0.862,1219 1.686,1220 1.433,1221 1.377,1222 1.636,1223 1.606,1224 0.825,1225 1.632,1226 1.272,1227 1.222,1228 1.513,1229 1.472,1230 0.824,1231 1.484,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1243 28.448,1247 4.967,1248 5.732,1249 5.349,1250 1.096,1251 -1.686,1252 3.542,1257 48.327,1258 130.289,1259 276.787,1260 373.359,1261 427.333,1262 438.842,1263 442.842,1264 129.713,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.907,1270 4.392,1271 3.644,1272 68.709,1273 228,1274 272,1275 0.137,1276 295.654,1277 531.13,1278 713.156,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.572,1284 28.089,1285 24.007,1286 20.385,1287 0.443,1288 0.327,1289 13.951,1290 19.047,1291 13.656,1292 11.141,1293 19.989,1294 15.041,1295 18.189,1296 0.289,1297 0.185,1298 17.643,1299 11.673,1300 15.009,1301 0.183,1302 0.109,1303 15.091,1304 8.944,1305 12.543,1306 0.117,1307 0.063,1308 12.847,1309 6.748,1310 10.173,1311 0.076,1312 0.036,1313 10.687,1314 4.727,1315 0.219,1316 132.915,1317 0.18,1318 37.887,1319 0.365,1320 218,1321 769.981,1322 269.633,1323 698.196,1324 912.88,1325 652,1326 254,1327 610.931,1328 303.948,1329 614.077,1330 904.51,1331 579,1332 6}
{0 CHEMBL296067,1 1.636,2 15.75,3 5.541,4 30.698,5 177.707,6 7.972,7 0.347,8 4.493,9 4.607,10 4.148,11 4.1,12 5.491,13 4.043,14 5.096,15 5.268,16 4.573,17 4.553,18 6.058,19 4.461,20 5.426,21 5.639,22 4.691,23 4.742,24 6.359,25 4.616,26 5.5,27 5.72,28 4.766,29 4.748,30 6.483,31 4.603,32 5.499,33 5.742,34 4.641,35 4.68,36 6.554,37 4.546,38 5.466,39 5.71,40 4.65,41 4.645,42 6.475,43 4.511,44 5.396,45 5.613,46 4.643,47 4.595,48 6.524,49 4.488,50 5.312,51 5.498,52 4.662,53 4.581,54 6.549,55 4.469,56 0.011,57 1.169,58 16.427,59 7.952,60 8.033,61 10.315,62 0.351,63 2.065,64 37.397,65 14.357,66 32.266,67 18.735,68 0.563,69 2.627,70 59.825,71 20.981,72 70.168,73 26.85,74 0.753,75 2.742,76 75.235,77 23.105,78 95.959,79 28.83,80 0.869,81 2.721,82 66.084,83 22.51,84 140.616,85 29.498,86 0.739,87 2.561,88 70.701,89 21.922,90 99.783,91 28.029,92 0.796,93 2.385,94 63.139,95 19.981,96 118.221,97 24.154,98 0.94,99 2.206,100 59.501,101 19.132,102 153.337,103 22.653,104 26,105 69,106 0.247,107 0.526,108 0.727,109 0.843,110 0.864,111 0.872,112 3.81,113 1.055,114 -5.65,115 -5.52,116 -5.15,119 41.5,121 6,125 6,127 2,128 1,138 10,139 4,140 2,151 3,163 15,165 2,166 9,169 1,171 2,172 25,175 2,176 5,181 2,183 16,186 1,187 8,192 4,194 18,197 4,198 9,201 2,203 3,205 7,208 1,209 14,214 2,217 8,220 1,221 15,226 1,227 9,230 2,231 11,234 2,236 3,238 10,241 1,242 13,249 12,252 4910,253 29.93,254 29.93,255 29.93,256 29.93,257 29.93,258 27.448,259 33.688,260 17.607,261 30.628,262 24.18,263 24.18,264 24.18,265 24.18,266 24.18,267 20.341,268 42.561,269 8.361,270 25.416,271 4.721,272 2.877,273 1.545,274 0.775,275 0.634,276 0.585,277 4.521,279 2,284 1530,285 4.062,287 134.717,288 763.696,292 239.478,295 2.648,296 50.552,299 0.5,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.82,307 93.667,308 693,309 4.493,310 4.788,311 6.877,312 4.194,313 3.27,314 4.43,315 3.784,316 11.466,317 3.029,318 4.434,319 3.74,320 6.506,321 4.03,322 3.032,323 3.947,324 1.991,325 10.196,326 3.013,327 4.119,328 3.669,329 6.213,330 3.854,331 2.906,332 3.397,333 1.909,334 9.133,335 2.751,336 3.963,337 3.521,338 6.161,339 3.74,340 2.797,341 3.091,342 1.86,343 9.033,344 2.621,345 3.778,346 3.269,347 5.985,348 3.624,349 2.67,350 2.941,351 0.91,352 8.455,353 2.542,354 3.664,355 3.104,356 5.471,357 3.366,358 2.391,359 2.832,360 0.8,361 6.956,362 2.32,363 3.509,364 3.095,365 5.22,366 3.109,367 2.174,368 2.809,369 0.569,370 6.307,371 2.072,372 3.454,373 3.004,374 5.086,375 3.031,376 2.064,377 2.716,378 0.561,379 6.005,380 1.901,381 3.118,382 2.65,383 4.856,384 2.908,385 1.922,386 2.427,387 0.046,388 5.305,389 1.869,390 3.021,391 2.357,392 4.644,393 2.683,394 1.765,395 2.098,397 4.722,398 1.618,399 2.949,400 2.29,401 4.518,402 2.618,403 1.618,404 1.983,406 4.463,407 1.586,408 2.773,409 1.84,410 4.164,411 2.466,412 1.594,413 1.904,415 3.795,416 1.335,417 2.757,418 1.794,419 4.083,420 2.322,421 1.348,422 1.774,424 3.379,425 1.278,426 2.563,427 1.68,428 3.988,429 2.273,430 1.274,431 1.519,433 3.116,434 1.257,435 2.521,436 1.618,437 3.598,438 2.115,439 1.175,440 1.476,442 2.846,443 1.067,444 21.862,445 0.497,446 1.062,447 0.024,448 49,449 1.114,450 20.5,451 0.466,452 28.5,453 0.648,454 54.07,455 1.229,456 47.738,457 0.582,458 40.792,459 0.927,460 8.818,461 0.2,462 12.55,463 0.285,464 0.111,466 0.329,472 0.618,473 1.315,474 0.641,475 0.954,476 0.484,477 0.937,478 0.7,479 1.153,480 0.826,481 0.983,482 0.507,483 0.972,484 0.982,485 1.005,486 0.928,487 0.97,488 0.929,489 0.977,490 1.096,491 1.092,492 0.926,493 1.058,494 1.195,495 1.04,496 0.772,497 1.032,498 0.744,499 0.947,500 0.864,501 0.914,502 1.034,503 0.96,504 0.838,505 0.915,506 1.085,507 0.89,508 1.509,509 0.918,510 0.972,511 0.922,512 1.725,513 0.865,514 1.35,515 1.059,516 1.137,517 1.113,518 1.637,519 1.018,520 8,521 0.426,522 5.556,523 3.326,524 2.317,525 1.938,526 1.247,527 0.908,528 0.569,529 0.509,530 36848,531 90993,532 2.123,533 46.3,534 2,535 24,536 1,538 1,539 2,540 4,541 4,542 1.826,543 2,544 3.884,545 -0.4,550 134.169,551 1.636,552 3.48,553 4.812,554 5.583,555 5.723,556 5.772,557 3.381,558 5.05,559 5.426,560 4.124,561 3900.87,562 9.633,563 73874.1,568 521.319,569 1.363,570 5.397,571 0.163,572 0.007,573 0.081,574 0.046,575 0.034,576 0.029,577 0.019,578 0.014,579 0.009,580 0.008,581 0.409,582 0.17,583 0.63,584 0.481,585 256.553,586 -0.013,587 -0.135,588 0.04,589 -0.002,590 0.007,591 0.017,592 0.051,593 0.01,595 0.004,596 0.044,597 -0.02,598 -0.05,599 0.046,600 -0.009,601 0.018,602 -0.046,603 -0.005,604 -0.025,605 -0.075,606 0.055,607 -0.041,608 -0.059,609 -0.064,610 0.216,611 -0.038,612 0.115,613 0.021,614 0.204,615 0.06,616 0.052,617 0.02,618 0.119,619 0.056,620 0.051,621 0.085,622 -0.086,623 0.089,624 0.037,625 0.082,626 -0.052,627 0.084,628 0.103,629 -0.04,630 -0.029,631 -0.053,632 0.093,633 -0.057,634 1.961,635 6.807,636 0.75,637 63.899,638 1,639 1.121,640 4.422,641 19.556,642 0.688,643 3.912,644 4.248,645 4.543,646 4.812,647 5.05,648 5.124,649 5.257,650 5.347,651 5.472,652 5.537,653 9.351,654 0.641,655 653.73,656 3.912,657 5.468,658 6.33,659 7.213,660 8.09,661 8.979,662 9.863,663 10.755,664 11.644,665 12.538,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 82,705 20,706 3,707 49,709 87,710 34,711 16,712 6,713 10,717 6,718 7,719 2,724 7,727 8,729 19,730 15,733 3,737 3,741 3,747 38,748 7,749 1,750 10,751 3,755 4,760 0.833,761 3,775 1,776 5,780 1,783 1,784 2,792 1,796 5,797 1,799 1,802 2,805 44,810 12,811 1,813 1,814 3,815 3,824 2,825 3.7,828 3,832 22,833 14.386,834 9.583,835 5.291,836 2.567,837 1.292,838 0.983,839 10.39,840 11.355,841 4.119,842 4.654,843 5.163,844 5.661,845 6.164,846 6.333,847 6.61,848 6.897,849 7.189,850 6.996,851 0.909,852 73,853 16.539,854 7.307,855 7.694,856 32.051,857 27.677,859 2.194,860 96.556,864 435.531,865 187.456,866 27.384,867 78.297,868 75.435,870 32.22,871 155.236,872 589.263,873 27.384,875 52.101,876 94.762,877 89.549,878 21.643,879 11.771,880 455.979,881 78.297,882 435.531,883 182.62,884 75.435,885 110.517,887 341.362,888 169.604,891 55.225,892 127.395,893 78.297,894 32.22,895 435.531,896 102.818,897 265.753,900 435.531,901 92.693,902 104.135,903 18.011,904 153.732,905 435.531,906 102.818,907 265.753,909 0.584,910 0.346,911 0.189,912 0.105,913 33,914 15,915 0.092,916 8,917 1,918 1.061,919 5.291,920 462.541,921 0.061,922 33,923 230.215,924 1,928 31.687,929 14.428,930 7.42,931 2.197,932 102.818,933 19.278,938 2.661,940 18.011,941 804.102,942 60.5,946 40.505,950 -0.493,952 82.018,953 91.903,954 0.257,955 0.547,956 0.757,957 0.878,958 0.9,959 0.908,960 5.386,961 2.064,962 6.315,963 6.307,964 4.934,965 5.342,966 3.928,967 7.136,968 4.837,969 6.559,970 1.922,971 7.881,972 6.005,973 4.511,974 5.121,975 2.929,976 8.054,977 4.327,978 7.853,979 1.765,980 9.548,981 5.305,982 6.538,983 7.433,984 6.086,985 11.173,986 6.35,987 9.178,988 1.618,989 11.275,990 4.722,991 6.948,992 8.054,993 5.249,994 12.94,995 6.676,996 10.538,997 1.594,998 13.042,999 4.463,1000 8.434,1001 9.874,1002 8.609,1003 15.574,1004 8.15,1005 11.921,1006 1.348,1007 14.836,1008 3.795,1009 9.231,1010 10.906,1011 7.918,1012 17.693,1013 8.867,1014 13.322,1015 1.274,1016 16.649,1017 3.379,1018 10.501,1019 12.529,1020 11.214,1021 20.166,1022 10.112,1023 3.27,1024 1.175,1025 18.478,1026 3.116,1027 11.48,1028 13.773,1029 10.721,1030 22.44,1031 11.02,1032 3.032,1033 11.466,1034 20.319,1035 2.846,1036 12.664,1037 15.31,1038 13.839,1039 24.861,1040 12.167,1041 2.906,1042 10.196,1043 22.169,1044 4.43,1045 13.73,1046 16.665,1047 13.532,1048 27.206,1049 13.167,1050 2.797,1051 9.133,1052 24.026,1053 3.947,1054 14.884,1055 18.164,1056 16.47,1057 29.615,1058 14.275,1059 2.67,1060 9.033,1061 25.891,1062 3.397,1063 15.992,1064 19.578,1065 16.323,1066 31.996,1067 15.32,1068 2.391,1069 8.455,1070 27.761,1071 3.091,1072 17.138,1073 21.061,1074 19.103,1075 34.406,1076 16.414,1077 2.174,1078 6.956,1079 29.636,1080 2.941,1081 18.268,1082 22.505,1083 19.094,1084 36.807,1085 17.482,1086 33912,1087 53726,1088 33.115,1089 56.455,1090 74.253,1091 78.929,1092 75.923,1093 74.067,1094 73.64,1095 89.445,1096 24.86,1097 212.758,1098 69.899,1099 5.493,1100 6.788,1101 6.679,1102 5.337,1103 5.27,1104 7.43,1105 7.434,1106 18.981,1107 5.029,1108 20.27,1109 1.515,1110 1.611,1111 1.549,1112 1.512,1113 1.503,1114 1.825,1115 0.507,1116 4.342,1117 1.427,1118 4.1,1119 4.124,1120 4.17,1121 4.058,1122 7.435,1123 4.052,1124 3.99,1125 4.027,1126 4.04,1127 3.931,1128 7.426,1129 3.911,1130 3.914,1131 3.957,1132 3.959,1133 3.774,1134 7.422,1135 3.775,1136 3.777,1137 3.819,1138 3.819,1139 3.67,1140 5.015,1141 3.651,1142 3.723,1143 3.771,1144 3.614,1145 3.574,1146 4.896,1147 3.565,1148 3.569,1149 3.619,1150 3.584,1151 3.431,1152 4.628,1153 3.425,1154 3.456,1155 3.499,1156 3.499,1157 3.3,1158 4.393,1159 3.314,1160 3.335,1161 3.377,1162 3.353,1163 3.162,1164 4.347,1165 3.163,1166 0.092,1167 0.098,1168 0.14,1169 0.086,1170 0.067,1171 4.493,1172 0.09,1173 4.788,1174 0.077,1175 6.877,1176 0.234,1177 4.194,1178 0.062,1179 3.27,1180 4.43,1181 3.784,1182 11.466,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.469,1189 2.147,1190 1.901,1191 1.883,1192 2.094,1193 2.08,1194 1.325,1195 2.088,1196 1.887,1197 1.829,1198 1.967,1199 1.965,1200 1.321,1201 1.975,1202 1.732,1203 1.671,1204 1.94,1205 1.917,1206 1.175,1207 1.934,1208 1.651,1209 1.617,1210 1.8,1211 1.845,1212 1.1,1213 1.838,1214 1.515,1215 1.472,1216 1.693,1217 1.71,1218 0.88,1219 1.702,1220 1.462,1221 1.418,1222 1.634,1223 1.608,1224 0.825,1225 1.634,1226 1.273,1227 1.223,1228 1.513,1229 1.471,1230 0.825,1231 1.483,1232 4.595,1233 5.927,1234 2.398,1235 7.453,1236 4.844,1237 9.065,1238 7.018,1239 10.722,1242 12.774,1247 9.77,1248 3.005,1250 1.371,1251 -0.587,1252 6.074,1257 52.554,1258 134.169,1259 285.379,1260 394.616,1261 457.809,1262 469.319,1263 473.319,1264 107.837,1265 8.788,1266 72.96,1267 98.26,1268 35,1269 13.065,1270 4.392,1271 3.644,1272 65.924,1273 237,1274 274,1275 0.126,1276 327.311,1277 580.16,1278 790.399,1279 97850,1280 2.4,1281 30.631,1282 0.696,1283 0.615,1284 31.984,1285 27.05,1286 21.368,1287 0.436,1288 0.352,1289 15.528,1290 19.783,1291 15.087,1292 12.316,1293 22.354,1294 17.231,1295 19.346,1296 0.28,1297 0.204,1298 20.74,1299 14.068,1300 16.632,1301 0.179,1302 0.12,1303 18.085,1304 11.145,1305 13.972,1306 0.115,1307 0.072,1308 15.808,1309 8.782,1310 11.433,1311 0.074,1312 0.041,1313 12.748,1314 6.309,1315 0.201,1316 142.516,1317 0.174,1318 39.039,1319 0.339,1320 236,1321 629.742,1322 309.159,1323 687.391,1324 910.66,1325 642,1326 280,1327 592.833,1328 344.077,1329 630.191,1330 933.07,1331 596,1332 6.481}
{0 CHEMBL296152,1 1.973,2 15.907,3 4.435,4 19.668,5 156.917,6 9.118,7 0.261,8 4.398,9 4.502,10 4.134,11 3.926,12 5.55,13 3.913,14 5.001,15 5.159,16 4.597,17 4.345,18 6.457,19 4.305,20 5.255,21 5.443,22 4.668,23 4.506,24 6.442,25 4.433,26 5.351,27 5.557,28 4.796,29 4.499,30 6.792,31 4.419,32 5.282,33 5.499,34 4.616,35 4.418,36 6.584,37 4.354,38 5.28,39 5.489,40 4.603,41 4.405,42 6.618,43 4.331,44 5.223,45 5.426,46 4.56,47 4.368,48 6.503,49 4.311,50 5.171,51 5.337,52 4.654,53 4.358,54 6.73,55 4.302,56 0.325,57 1.318,58 10.876,59 7.148,60 47.318,61 7.763,62 1.393,63 2.441,64 30.713,65 12.533,66 183.117,67 13.795,68 1.386,69 2.462,70 47.541,71 17.18,72 162.156,73 19.219,74 2.256,75 2.98,76 66.412,77 19.031,78 331.684,79 20.584,80 1.664,81 2.322,82 53.192,83 17.196,84 234.725,85 20.321,86 1.978,87 2.188,88 59.642,89 16.853,90 259.217,91 18.917,92 1.678,93 2.013,94 50.008,95 15.404,96 222.895,97 17.179,98 1.833,99 2.025,100 49.232,101 15.729,102 299.386,103 17.046,104 83,105 65,106 0.308,107 0.606,108 0.791,109 0.877,110 0.887,111 0.887,112 3.787,113 0.993,114 -4.59,115 -4.51,116 -4.25,119 38.4,121 2,125 8,127 1,128 1,131 1,138 6,139 3,140 3,151 3,163 6,165 1,166 4,169 2,171 3,172 13,175 2,176 4,179 1,181 1,183 6,187 7,190 1,192 3,194 8,197 3,198 6,201 3,203 3,205 2,208 1,209 9,214 3,217 7,220 1,221 8,224 1,226 4,227 4,230 1,231 6,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 6,252 4700,253 28.092,254 28.092,255 28.092,256 28.092,257 28.092,258 26.107,259 34.057,260 16.518,261 29.197,262 22.678,263 22.678,264 22.678,265 22.678,266 22.678,267 19.548,268 37.011,269 7.866,270 24.628,271 4.217,272 2.303,273 1.12,274 0.569,275 0.503,276 0.503,277 4.473,279 2,283 1,284 1439,285 5.05,287 141.55,288 514.643,295 2.835,296 92.214,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 98.667,308 684,309 4.577,310 4.788,311 7.265,312 4.272,313 3.391,314 4.117,315 3.825,316 12.287,317 3.031,318 4.432,319 4.476,320 6.875,321 4.19,322 3.266,323 3.947,324 3.784,325 11.459,326 3.008,327 4.109,328 3.669,329 6.204,330 3.742,331 2.797,332 3.387,333 1.963,334 9.037,335 2.622,336 3.924,337 3.615,338 6.051,339 3.609,340 2.689,341 3.152,342 1.909,343 8.543,344 2.451,345 3.688,346 3.515,347 5.509,348 3.448,349 2.525,350 2.865,351 1.859,352 7.113,353 2.367,354 3.587,355 3.26,356 5.34,357 3.407,358 2.432,359 2.812,360 0.901,361 6.965,362 2.303,363 3.516,364 3.194,365 5.135,366 3.25,367 2.271,368 2.708,369 0.86,370 6.215,371 2.211,372 3.483,373 3.001,374 5.009,375 3.062,376 2.141,377 2.519,378 0.8,379 5.911,380 1.881,381 2.983,382 2.885,383 4.832,384 2.667,385 1.771,386 2.092,387 0.561,388 5.136,389 1.559,390 2.93,391 2.649,392 4.743,393 2.543,394 1.617,395 2.068,396 0.215,397 4.784,398 1.476,399 2.855,400 2.176,401 4.583,402 2.516,403 1.607,404 1.982,406 4.391,407 1.421,408 2.737,409 2.153,410 3.999,411 2.402,412 1.514,413 1.75,415 3.308,416 1.348,417 2.611,418 1.819,419 3.884,420 2.381,421 1.414,422 1.604,424 3.173,425 1.27,426 2.561,427 1.68,428 3.715,429 2.178,430 1.26,431 1.515,433 3.125,434 1.137,435 2.311,436 1.678,437 3.477,438 2.112,439 1.174,440 1.295,442 2.704,443 1.06,444 20.338,445 0.473,446 1.323,447 0.031,448 44.75,449 1.041,450 16.5,451 0.384,452 28.25,453 0.657,454 51.056,455 1.187,456 49.862,457 0.683,458 43.901,459 1.021,460 8.911,461 0.207,462 11.524,463 0.268,464 0.176,465 0.025,466 0.31,469 3,470 1,472 0.615,473 1.114,474 0.587,475 0.999,476 0.544,477 0.945,478 0.628,479 0.862,480 0.785,481 0.949,482 0.452,483 0.941,484 0.818,485 0.928,486 0.94,487 1.02,488 0.761,489 1.019,490 0.898,491 0.923,492 0.931,493 1.028,494 0.94,495 1.011,496 0.746,497 0.897,498 0.764,499 0.952,500 0.761,501 0.898,502 0.943,503 0.766,504 0.995,505 0.938,506 0.99,507 0.978,508 0.998,509 0.731,510 0.943,511 0.852,512 1.044,513 0.892,514 0.768,515 0.896,516 1.042,517 1.149,518 0.842,519 1.077,520 10,521 0.437,522 5.333,523 3.951,524 2.651,525 1.914,526 1.033,527 0.961,528 0.522,529 0.492,530 32717,531 124658,532 1.987,533 41.1,535 23,536 1,538 2,539 2,541 2,542 1.82,543 1.823,544 3.893,545 0.23,550 144.045,551 1.973,552 3.886,553 5.07,554 5.621,555 5.686,556 5.686,557 3.403,558 5.223,559 5.392,560 4.165,561 3760.95,562 9.562,563 71809.7,568 451.857,569 1.634,570 5.33,571 0.217,572 0.008,573 0.082,574 0.059,575 0.041,576 0.03,577 0.018,578 0.016,579 0.009,580 0.009,581 0.488,582 0.17,583 0.75,584 0.725,585 250.768,586 -0.048,587 -0.111,588 0.019,589 -0.02,590 -0.033,591 0.001,592 0.153,593 0.155,594 0.021,595 0.06,596 0.233,597 0.004,598 -0.069,599 -0.089,600 -0.02,601 -0.014,602 -0.042,603 -0.023,604 0.061,605 0.068,606 0.089,607 0.015,608 0.078,609 -0.013,610 0.053,611 -0.078,612 0.125,613 0.026,614 0.069,615 0.112,616 -0.032,617 0.091,618 -0.013,619 0.038,620 -0.038,621 0.006,622 -0.13,623 0.037,624 -0.004,625 0.091,626 -0.115,627 0.078,628 0.13,629 -0.086,630 -0.002,631 -0.111,632 0.16,633 -0.092,634 6.131,635 6.431,636 0.535,637 65.161,638 1.036,639 1.146,640 3.36,641 11.287,642 0.673,643 3.85,644 4.19,645 4.407,646 4.644,647 4.82,648 4.86,649 4.956,650 5.017,651 5.063,652 5.124,653 9.612,654 0.654,655 665.59,656 3.85,657 5.407,658 6.244,659 7.127,660 7.985,661 8.873,662 9.743,663 10.635,664 11.512,665 12.407,666 5.5,669 1,673 3,681 6,686 6,688 12,702 3,703 73,705 15,706 2,707 46,709 76,710 28,711 12,712 6,713 6,717 4,718 4,719 2,721 1,724 1,726 1,727 3,729 15,730 13,733 3,737 3,741 3,745 4,747 30,748 12,749 2,750 15,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,803 4,805 43,810 10,811 2,812 1,813 1,814 2,815 2,816 1,824 6,825 5.5,828 3,829 1,832 23.583,833 12.757,834 9.361,835 4.3,836 1.692,837 1.208,838 0.95,839 12.022,840 9.816,841 4.025,842 4.533,843 4.949,844 5.379,845 5.806,846 5.879,847 6.041,848 6.203,849 6.347,850 6.441,851 0.909,852 67,853 16.994,854 8.257,855 8.325,856 29.492,857 24.391,859 2.825,860 121.472,864 329.591,865 163.518,866 42.27,867 78.297,868 86.435,869 59.84,870 32.22,871 131.298,872 494.323,873 102.111,875 66.034,876 56.857,877 100.549,878 73.684,879 26.731,880 350.039,881 86.057,882 329.591,883 173.568,884 146.275,885 110.517,887 321.009,888 143.857,889 11,891 76.918,892 96.65,893 78.297,894 32.22,895 389.431,896 128.705,897 241.815,900 337.35,901 98.901,902 63.106,903 36.022,904 224.572,905 329.591,906 188.545,907 241.815,909 0.588,910 0.332,911 0.174,912 0.094,913 28,914 15,915 0.145,916 11,918 1,919 5.11,920 422.476,922 23,923 224.574,924 1,928 33.821,929 15.284,930 9.224,932 188.545,933 7.557,938 -2.061,940 36.022,941 759.951,942 55,946 38.989,950 -1.529,952 75.629,953 83.641,954 0.319,955 0.628,956 0.819,957 0.908,958 0.919,959 0.919,960 5.303,961 2.141,962 6.263,963 6.215,964 4.875,965 5.22,966 4.269,967 7.099,968 4.716,969 6.493,970 1.771,971 7.848,972 5.911,973 4.635,974 5.112,975 4.203,976 8.201,977 4.318,978 7.801,979 1.617,980 9.543,981 5.136,982 6.526,983 7.266,984 6.499,985 11.262,986 6.213,987 9.14,988 1.607,989 11.305,990 4.784,991 7.083,992 7.928,993 6.899,994 13.2,995 6.604,996 10.512,997 1.514,998 13.113,999 4.391,1000 8.505,1001 9.642,1002 9.063,1003 15.858,1004 8.007,1005 11.907,1006 1.414,1007 14.952,1008 3.308,1009 9.415,1010 10.655,1011 9.594,1012 18.124,1013 8.761,1014 13.321,1015 1.26,1016 16.817,1017 3.173,1018 10.673,1019 12.202,1020 11.695,1021 20.66,1022 9.969,1023 3.391,1024 1.174,1025 18.7,1026 3.125,1027 11.742,1028 13.391,1029 12.304,1030 23.057,1031 10.898,1032 3.266,1033 12.287,1034 20.599,1035 2.704,1036 12.948,1037 14.863,1038 14.343,1039 25.556,1040 12.028,1041 2.797,1042 11.459,1043 22.51,1044 4.117,1045 14.087,1046 16.145,1047 15.015,1048 28.006,1049 13.041,1050 2.689,1051 9.037,1052 24.431,1053 3.947,1054 15.281,1055 17.581,1056 16.995,1057 30.495,1058 14.144,1059 2.525,1060 8.543,1061 26.36,1062 3.387,1063 16.452,1064 18.914,1065 17.724,1066 32.967,1067 15.199,1068 2.432,1069 7.113,1070 28.296,1071 3.152,1072 17.646,1073 20.333,1074 19.649,1075 35.456,1076 16.294,1077 2.271,1078 6.965,1079 30.237,1080 2.865,1081 18.834,1082 21.695,1083 20.429,1084 37.939,1085 17.37,1086 31628,1087 62200,1088 29.531,1089 49.137,1090 69.216,1091 72.991,1092 71.074,1093 69.147,1094 68.526,1095 80.741,1096 33.354,1097 199.242,1098 62.779,1099 5.577,1100 6.788,1101 7.067,1102 5.413,1103 5.391,1104 7.117,1105 7.475,1106 19.985,1107 5.031,1108 27.61,1109 1.505,1110 1.587,1111 1.545,1112 1.503,1113 1.49,1114 1.755,1115 0.725,1116 4.331,1117 1.365,1118 4.005,1119 4.032,1120 4.167,1121 3.94,1122 8.514,1123 3.924,1124 3.945,1125 3.966,1126 3.964,1127 3.873,1128 8.2,1129 3.874,1130 3.829,1131 3.89,1132 3.93,1133 3.675,1134 7.999,1135 3.663,1136 3.767,1137 3.794,1138 3.708,1139 3.616,1140 7.999,1141 3.619,1142 3.637,1143 3.69,1144 3.584,1145 3.414,1146 7.435,1147 3.432,1148 3.511,1149 3.566,1150 3.551,1151 3.296,1152 7.427,1153 3.309,1154 3.366,1155 3.414,1156 3.476,1157 3.156,1158 7.422,1159 3.164,1160 3.283,1161 3.321,1162 3.324,1163 3.045,1164 5.014,1165 3.065,1166 0.099,1167 0.104,1168 0.158,1169 0.093,1170 0.074,1171 4.577,1172 0.09,1173 4.788,1174 0.083,1175 7.265,1176 0.267,1177 4.272,1178 0.066,1179 3.391,1180 4.117,1181 3.825,1182 12.287,1183 3.031,1184 1.918,1185 1.896,1186 2.007,1187 2.027,1188 1.299,1189 2.019,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.183,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.167,1201 1.97,1202 1.65,1203 1.618,1204 1.825,1205 1.863,1206 1.1,1207 1.852,1208 1.582,1209 1.529,1210 1.778,1211 1.807,1212 1.083,1213 1.802,1214 1.438,1215 1.382,1216 1.642,1217 1.67,1218 0.868,1219 1.669,1220 1.292,1221 1.244,1222 1.513,1223 1.527,1224 0.825,1225 1.516,1226 1.153,1227 1.091,1228 1.497,1229 1.405,1230 0.695,1231 1.429,1232 4.533,1233 5.866,1234 2.398,1235 7.377,1236 4.844,1237 8.972,1238 7.018,1239 10.615,1242 12.462,1243 53.474,1247 3.835,1248 5.222,1249 5.332,1250 1.115,1251 -1.618,1252 3.577,1253 -4.881,1257 47.749,1258 144.045,1259 283.711,1260 370.083,1261 410.347,1262 415.102,1263 415.102,1264 174.713,1265 8.124,1266 90.98,1267 116.28,1268 23,1269 12.937,1270 4,1271 3.322,1272 81.941,1273 240,1274 282,1275 0.157,1276 299.187,1277 550.33,1278 721.777,1279 42378,1280 8.2,1281 31.148,1282 0.724,1283 0.587,1284 29.131,1285 25.222,1286 20.435,1287 0.444,1288 0.331,1289 13.389,1290 18.324,1291 13.088,1292 10.597,1293 19.781,1294 15.226,1295 19.312,1296 0.297,1297 0.187,1298 18.322,1299 12.155,1300 14.866,1301 0.184,1302 0.111,1303 14.822,1304 9.011,1305 12.197,1306 0.118,1307 0.066,1308 12.792,1309 6.827,1310 9.327,1311 0.076,1312 0.038,1313 9.972,1314 4.627,1315 0.252,1316 140.947,1317 0.184,1318 38.562,1319 0.418,1320 222,1321 978.61,1322 317.858,1323 896.407,1324 1126.12,1325 828,1326 257,1327 692.323,1328 336.565,1329 699.65,1330 1050.57,1331 656,1332 5.602}
{0 CHEMBL296192,1 1.69,2 15.432,3 4.899,4 24.003,5 175.009,6 8.196,7 0.375,8 4.467,9 4.578,10 4.137,11 4.056,12 5.525,13 4.009,14 5.039,15 5.2,16 4.533,17 4.474,18 6.075,19 4.392,20 5.332,21 5.532,22 4.629,23 4.639,24 6.329,25 4.52,26 5.393,27 5.609,28 4.742,29 4.656,30 6.42,31 4.527,32 5.402,33 5.62,34 4.688,35 4.643,36 6.577,37 4.545,38 5.429,39 5.633,40 4.703,41 4.672,42 6.566,43 4.562,44 5.428,45 5.642,46 4.682,47 4.638,48 6.575,49 4.527,50 5.343,51 5.538,52 4.679,53 4.591,54 6.587,55 4.474,56 0.055,57 1.126,58 15.236,59 7.6,60 10.905,61 9.516,62 0.455,63 1.91,64 34.698,65 13.377,66 40.826,67 16.648,68 0.74,69 2.357,70 54.565,71 18.909,72 85.426,73 23.357,74 0.798,75 2.477,76 68.987,77 20.597,78 94.434,79 25.325,80 0.922,81 2.492,82 58.414,83 20.062,84 141.091,85 25.55,86 0.873,87 2.474,88 64.673,89 20.836,90 123.383,91 25.434,92 0.964,93 2.462,94 62.315,95 20.471,96 131.494,97 24.865,98 1.024,99 2.278,100 63.113,101 20.206,102 161.532,103 23.717,104 26,105 65,106 0.257,107 0.541,108 0.717,109 0.814,110 0.831,111 0.831,112 3.81,113 1.029,114 -4.65,115 -4.57,116 -4.3,119 41.3,121 2,125 7,127 2,128 1,138 13,139 3,140 2,151 3,163 14,165 1,166 4,169 2,171 4,172 22,175 2,176 4,179 1,181 4,183 14,187 8,190 1,192 5,194 17,197 3,198 9,201 3,203 4,205 15,208 1,209 11,214 3,217 18,220 1,221 11,224 1,226 4,227 12,230 1,231 12,234 2,235 1,236 3,238 10,241 2,242 11,247 1,249 11,252 4766,253 29.896,254 29.896,255 29.896,256 29.896,257 29.896,258 27.224,259 33.236,260 18.137,261 30.705,262 23.748,263 23.748,264 23.748,265 23.748,266 23.748,267 19.753,268 37.851,269 8.707,270 25.128,271 4.632,272 2.759,273 1.6,274 0.964,275 0.85,276 0.85,277 4.511,279 2,283 1,284 1465,285 4.583,287 144.848,288 702.253,295 2.588,296 54.012,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 94.667,308 679,309 4.432,310 4.788,311 6.875,312 4.191,313 3.267,314 3.947,315 3.784,316 11.459,317 3.016,318 4.261,319 3.693,320 6.513,321 4.01,322 3.025,323 3.734,324 1.963,325 10.245,326 2.972,327 4.106,328 3.617,329 6.204,330 3.735,331 2.792,332 3.386,333 1.914,334 9.034,335 2.615,336 3.736,337 3.557,338 5.507,339 3.447,340 2.525,341 3.298,342 1.859,343 7.105,344 2.387,345 3.683,346 3.306,347 5.34,348 3.402,349 2.42,350 2.871,351 1.157,352 6.965,353 2.305,354 3.583,355 3.247,356 5.247,357 3.278,358 2.278,359 2.812,360 0.901,361 6.4,362 2.278,363 3.516,364 3,365 5.135,366 3.239,367 2.261,368 2.718,369 0.86,370 6.215,371 2.211,372 3.482,373 2.885,374 5.002,375 3.058,376 2.129,377 2.519,378 0.8,379 5.902,380 1.882,381 3.092,382 2.649,383 4.816,384 2.706,385 1.776,386 2.304,387 0.215,388 5.095,389 1.672,390 2.976,391 2.361,392 4.599,393 2.608,394 1.643,395 2.086,397 4.421,398 1.538,399 2.781,400 2.176,401 4.084,402 2.518,403 1.613,404 1.908,406 3.648,407 1.428,408 2.736,409 1.819,410 3.994,411 2.401,412 1.514,413 1.749,415 3.307,416 1.317,417 2.611,418 1.791,419 3.715,420 2.317,421 1.317,422 1.604,424 3.124,425 1.269,426 2.561,427 1.68,428 3.555,429 2.177,430 1.259,431 1.514,433 2.88,434 1.137,435 2.5,436 1.678,437 3.474,438 2.112,439 1.174,440 1.5,442 2.703,443 1.059,444 21.695,445 0.493,446 0.959,447 0.022,448 50.75,449 1.153,450 22.5,451 0.511,452 28.25,453 0.642,454 49.921,455 1.135,456 47.905,457 0.599,458 45.248,459 1.028,460 9.89,461 0.225,462 11.495,463 0.261,464 0.112,466 0.29,472 0.681,473 1.299,474 0.638,475 0.955,476 0.528,477 0.926,478 0.866,479 1.16,480 0.867,481 0.996,482 0.591,483 0.985,484 1.044,485 1.014,486 0.988,487 0.982,488 1.049,489 0.999,490 0.968,491 1.056,492 0.907,493 1.019,494 1.114,495 0.973,496 0.797,497 0.989,498 0.742,499 0.919,500 0.898,501 0.861,502 1.158,503 1.027,504 0.929,505 0.996,506 1.398,507 0.997,508 1.255,509 0.922,510 0.914,511 0.902,512 1.546,513 0.905,514 1.098,515 1.085,516 1.134,517 1.158,518 1.38,519 1.016,520 7.5,521 0.44,522 4.222,523 3.264,524 2.362,525 1.664,526 1.071,527 0.965,528 0.564,529 0.527,530 34989,531 97667,532 2.084,533 45,535 29,536 1,538 2,539 2,541 2,542 1.827,543 1.97,544 3.849,545 0.126,550 135.172,551 1.69,552 3.563,553 4.722,554 5.358,555 5.472,556 5.472,557 3.349,558 4.715,559 5.425,560 4.097,561 3876.2,562 9.643,563 73681.4,568 505.754,569 1.325,570 5.399,571 0.156,572 0.007,573 0.065,574 0.049,575 0.035,576 0.022,577 0.015,578 0.014,579 0.009,580 0.008,581 0.381,582 0.17,583 0.63,584 0.481,585 256.366,586 -0.034,587 -0.119,588 0.033,589 -0.006,590 -0.015,591 0.013,592 -0.012,593 -0.006,594 -0.029,595 -0.002,596 0.012,597 -0.045,598 -0.072,599 0.035,600 -0.04,601 0.019,602 -0.098,603 -0.03,604 -0.009,605 -0.023,606 0.107,607 0.013,608 -0.043,609 0.013,610 0.178,611 0.031,612 0.124,613 0.06,614 0.229,615 0.111,616 -0.049,617 -0.027,618 0.011,619 -0.017,620 -0.057,621 -0.03,622 -0.062,623 0.079,624 0.042,625 0.083,626 -0.075,627 0.055,628 0.104,629 -0.071,630 -0.01,631 -0.063,632 0.126,633 -0.031,634 2.02,635 6.758,636 0.659,637 63.333,638 1.006,639 1.121,640 3.424,641 11.722,642 0.689,643 3.892,644 4.19,645 4.443,646 4.71,647 4.927,648 4.956,649 5.081,650 5.17,651 5.252,652 5.303,653 9.268,654 0.647,655 655.7,656 3.892,657 5.425,658 6.263,659 7.132,660 7.992,661 8.87,662 9.742,663 10.626,664 11.505,665 12.394,666 5,669 1,673 3,681 13,686 5,688 18,702 2,703 80,705 21,706 3,707 48,709 84,710 33,711 18,712 5,713 13,717 5,718 5,719 2,724 1,727 4,729 21,730 12,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 4,783 2,784 1,792 1,795 1,796 5,797 1,799 1,802 2,805 44,810 9,811 2,812 1,813 1,814 3,815 2,824 2,825 5,828 3,829 1,832 22.333,833 13.852,834 9.778,835 4.803,836 1.743,837 1.213,838 0.963,839 12.014,840 9.914,841 4.111,842 4.6,843 5.042,844 5.51,845 5.988,846 6.016,847 6.284,848 6.584,849 6.798,850 6.859,851 1,852 67,853 16.483,854 7.143,855 7.782,856 31.408,857 26.112,859 2.282,860 100.389,864 400.217,865 210.865,866 42.27,867 78.297,868 86.435,870 32.22,871 178.645,872 564.949,873 42.27,875 63.928,876 123.191,877 100.549,878 19.682,879 11.771,880 420.666,881 78.297,882 400.217,883 220.916,884 86.435,885 110.517,887 376.675,888 98.977,889 11,891 67.052,892 153.863,893 78.297,894 32.22,895 400.217,896 128.705,897 289.162,900 400.217,901 87.674,902 129.44,903 36.022,904 164.732,905 400.217,906 128.705,907 289.162,909 0.572,910 0.329,911 0.184,912 0.104,913 28,914 13,915 0.143,916 12,918 1,919 5.268,920 448,922 29,923 216.215,924 1,928 32.798,929 16.118,930 9.004,932 128.705,933 24.544,938 3.424,940 36.022,941 818.085,942 60,946 40.237,950 -0.793,952 80.461,953 89.697,954 0.267,955 0.564,956 0.747,957 0.848,958 0.866,959 0.866,960 5.349,961 2.129,962 6.229,963 6.215,964 4.875,965 5.288,966 3.972,967 7.015,968 4.767,969 6.504,970 1.776,971 7.768,972 5.902,973 4.369,974 4.902,975 2.967,976 7.872,977 4.18,978 7.775,979 1.643,980 9.411,981 5.095,982 6.435,983 7.285,984 6.091,985 11.01,986 6.231,987 9.076,988 1.613,989 11.12,990 4.421,991 6.781,992 7.692,993 5.249,994 12.766,995 6.495,996 10.411,997 1.514,998 12.873,999 3.648,1000 8.293,1001 9.573,1002 8.609,1003 15.419,1004 7.987,1005 11.769,1006 1.317,1007 14.658,1008 3.307,1009 9.053,1010 10.363,1011 7.915,1012 17.552,1013 8.663,1014 13.146,1015 1.259,1016 16.467,1017 3.124,1018 10.337,1019 12.018,1020 11.214,1021 20.043,1022 9.916,1023 3.267,1024 1.174,1025 18.294,1026 2.88,1027 11.302,1028 13.021,1029 10.72,1030 22.336,1031 10.799,1032 3.025,1033 11.459,1034 20.136,1035 2.703,1036 12.496,1037 14.555,1038 13.839,1039 24.773,1040 11.95,1041 2.792,1042 10.245,1043 21.989,1044 3.947,1045 13.56,1046 15.687,1047 13.531,1048 27.135,1049 12.936,1050 2.525,1051 9.034,1052 23.853,1053 3.734,1054 14.722,1055 17.15,1056 16.47,1057 29.556,1058 14.045,1059 2.42,1060 7.105,1061 25.724,1062 3.386,1063 15.835,1064 18.363,1065 16.323,1066 31.949,1067 15.084,1068 2.278,1069 6.965,1070 27.602,1071 3.298,1072 16.99,1073 19.782,1074 19.103,1075 34.367,1076 16.178,1077 2.261,1078 6.4,1079 29.485,1080 2.871,1081 18.127,1082 21.048,1083 19.094,1084 36.776,1085 17.242,1086 32978,1087 55392,1088 32.304,1089 55.148,1090 71.621,1091 75.654,1092 72.639,1093 71.285,1094 70.865,1095 86.888,1096 26.903,1097 197.057,1098 66.809,1099 5.432,1100 6.788,1101 6.677,1102 5.333,1103 5.267,1104 6.947,1105 7.434,1106 18.974,1107 5.016,1108 20.266,1109 1.492,1110 1.576,1111 1.513,1112 1.485,1113 1.476,1114 1.81,1115 0.56,1116 4.105,1117 1.392,1118 4.025,1119 4.055,1120 4.168,1121 3.961,1122 7.435,1123 3.95,1124 3.952,1125 3.974,1126 3.966,1127 3.906,1128 7.427,1129 3.891,1130 3.829,1131 3.89,1132 3.918,1133 3.753,1134 7.422,1135 3.743,1136 3.808,1137 3.841,1138 3.729,1139 3.673,1140 5.015,1141 3.66,1142 3.763,1143 3.79,1144 3.707,1145 3.616,1146 4.809,1147 3.618,1148 3.63,1149 3.682,1150 3.581,1151 3.412,1152 4.688,1153 3.429,1154 3.484,1155 3.537,1156 3.547,1157 3.281,1158 4.629,1159 3.292,1160 3.321,1161 3.363,1162 3.428,1163 3.14,1164 4.627,1165 3.138,1166 0.092,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.432,1172 0.082,1173 4.788,1174 0.079,1175 6.875,1176 0.239,1177 4.191,1178 0.063,1179 3.267,1180 3.947,1181 3.784,1182 11.459,1183 3.016,1184 1.976,1185 1.949,1186 2.087,1187 2.06,1188 1.299,1189 2.07,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.244,1195 2.002,1196 1.824,1197 1.794,1198 1.961,1199 1.96,1200 1.175,1201 1.97,1202 1.766,1203 1.701,1204 1.944,1205 1.905,1206 1.101,1207 1.926,1208 1.646,1209 1.613,1210 1.825,1211 1.861,1212 1.084,1213 1.851,1214 1.579,1215 1.527,1216 1.772,1217 1.793,1218 1.01,1219 1.794,1220 1.436,1221 1.38,1222 1.638,1223 1.66,1224 0.868,1225 1.663,1226 1.25,1227 1.208,1228 1.513,1229 1.458,1230 0.825,1231 1.451,1232 4.575,1233 5.878,1234 2.398,1235 7.368,1236 4.844,1237 8.945,1238 7.018,1239 10.569,1242 12.712,1247 5.239,1248 6.08,1249 5.389,1250 1.326,1251 -1.594,1252 3.825,1257 51.742,1258 135.172,1259 285.039,1260 377.774,1261 428.635,1262 437.754,1263 437.754,1264 120.148,1265 8.172,1266 90.98,1267 116.28,1268 29,1269 12.926,1270 4.459,1271 3.7,1272 73.674,1273 239,1274 292,1275 0.143,1276 326.181,1277 581.37,1278 787.641,1279 42740,1280 2.5,1281 30.89,1282 0.702,1283 0.605,1284 32.244,1285 26.622,1286 21.385,1287 0.446,1288 0.343,1289 14.722,1290 19.683,1291 14.307,1292 11.701,1293 22.371,1294 16.456,1295 18.908,1296 0.291,1297 0.199,1298 20.303,1299 12.924,1300 15.44,1301 0.184,1302 0.116,1303 16.894,1304 9.722,1305 12.952,1306 0.118,1307 0.068,1308 14.788,1309 7.496,1310 10.544,1311 0.077,1312 0.038,1313 11.858,1314 5.176,1315 0.227,1316 143.488,1317 0.176,1318 39.009,1319 0.386,1320 226,1321 666.165,1322 301.343,1323 715.456,1324 935.49,1325 668,1326 262,1327 593.272,1328 327.514,1329 629.941,1330 926.24,1331 594,1332 5.222}
{0 CHEMBL296245,1 1.536,2 15.929,3 3.385,4 11.46,5 167.034,6 7.181,7 0.37,8 4.481,9 4.603,10 4.044,11 4.039,12 5.489,13 3.988,14 5.066,15 5.244,16 4.403,17 4.456,18 6.032,19 4.365,20 5.354,21 5.575,22 4.442,23 4.608,24 6.275,25 4.479,26 5.4,27 5.636,28 4.387,29 4.59,30 6.319,31 4.442,32 5.411,33 5.664,34 4.447,35 4.529,36 6.473,37 4.393,38 5.361,39 5.611,40 4.367,41 4.492,42 6.328,43 4.361,44 5.306,45 5.529,46 4.405,47 4.488,48 6.385,49 4.384,50 5.298,51 5.503,52 4.434,53 4.515,54 6.462,55 4.401,56 0.039,57 1.182,58 18.552,59 8.106,60 9.631,61 10.656,62 0.434,63 1.994,64 38.619,65 13.861,66 38.177,67 18.438,68 0.651,69 2.449,70 54.681,71 19.033,72 68.37,73 25.037,74 0.533,75 2.51,76 57.744,77 19.873,78 73.717,79 26.572,80 0.861,81 2.454,82 57.963,83 19.254,84 137.772,85 26.423,86 0.661,87 2.357,88 57.545,89 18.297,90 87.253,91 24.083,92 0.723,93 2.255,94 53.329,95 16.94,96 96.155,97 21.692,98 0.683,99 2.23,100 51.874,101 18.186,102 124.201,103 23.049,104 10,105 61,106 0.233,107 0.516,108 0.713,109 0.835,110 0.874,111 0.881,112 3.765,113 1.031,114 -3.56,115 -3.53,116 -3.37,119 40.2,121 4,125 8,127 1,128 1,138 12,139 4,151 3,163 19,165 1,166 4,169 2,171 3,172 25,175 2,176 4,179 1,181 2,183 20,187 5,190 1,192 4,194 12,197 3,198 9,201 3,203 5,205 8,208 1,209 9,214 4,217 7,220 1,221 11,224 1,226 2,227 10,230 1,231 10,234 2,235 1,236 3,238 9,241 2,242 13,247 4,249 8,252 4648,253 28.896,254 28.896,255 28.896,256 28.896,257 28.896,258 26.444,259 30.121,260 17.674,261 29.479,262 22.77,263 22.77,264 22.77,265 22.77,266 22.77,267 19.019,268 33.457,269 8.478,270 23.672,271 4.821,272 2.948,273 1.644,274 0.842,275 0.585,276 0.537,277 4.471,283 1,284 1455,285 4.528,287 135.027,288 603.415,292 231.798,295 2.646,296 43.917,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90,308 669,309 4.493,310 4.743,311 6.693,312 4.101,313 3.175,314 4.43,315 3.508,316 10.792,317 3.028,318 4.28,319 3.618,320 6.506,321 4.03,322 3.031,323 3.456,324 1.961,325 10.196,326 2.937,327 3.896,328 3.602,329 5.598,330 3.528,331 2.53,332 3.409,333 1.909,334 7.341,335 2.525,336 3.707,337 3.469,338 5.343,339 3.457,340 2.525,341 2.944,342 1.741,343 6.967,344 2.424,345 3.6,346 3.11,347 5.34,348 3.43,349 2.454,350 2.831,351 0.86,352 6.956,353 2.314,354 3.517,355 3.07,356 5.22,357 3.281,358 2.286,359 2.722,360 0.8,361 6.314,362 2.255,363 3.469,364 2.885,365 5.053,366 3.086,367 2.099,368 2.519,369 0.734,370 6.049,371 2.074,372 3.159,373 2.698,374 4.969,375 2.925,376 1.939,377 2.427,378 0.561,379 5.617,380 1.88,381 3.118,382 2.29,383 4.627,384 2.618,385 1.651,386 2.217,387 0.167,388 4.606,389 1.618,390 2.899,391 2.176,392 4.161,393 2.577,394 1.618,395 2.029,397 3.792,398 1.532,399 2.771,400 1.81,401 3.719,402 2.492,403 1.549,404 1.904,406 3.308,407 1.469,408 2.701,409 1.678,410 3.653,411 2.405,412 1.462,413 1.687,415 3.139,416 1.334,417 2.61,418 1.618,419 3.599,420 2.274,421 1.276,422 1.599,424 2.847,425 1.273,426 2.5,427 1.605,428 3.492,429 2.179,430 1.26,431 1.5,433 2.711,434 1.138,435 2.403,436 1.353,437 3.394,438 2,439 1.004,440 1.359,442 2.306,443 1,444 20.267,445 0.483,446 0.78,447 0.019,448 47.25,449 1.125,450 20.5,451 0.488,452 26.75,453 0.637,454 45.801,455 1.091,456 46.333,457 0.565,458 39.238,459 0.934,460 9.098,461 0.217,462 11.466,463 0.273,464 0.049,466 0.262,472 0.721,473 1.326,474 0.809,475 1.073,476 0.526,477 1.015,478 0.92,479 1.136,480 1.097,481 1.081,482 0.597,483 1.046,484 1.051,485 0.983,486 1.153,487 1.058,488 1.037,489 1.032,490 1.002,491 1.125,492 1.138,493 1.164,494 1.163,495 1.109,496 0.802,497 1.034,498 0.858,499 0.976,500 0.925,501 0.938,502 1.298,503 0.953,504 1.127,505 0.956,506 1.4,507 0.883,508 1.615,509 0.871,510 1.204,511 0.931,512 1.793,513 0.901,514 1.283,515 1.102,516 1.161,517 1.133,518 1.633,519 1.057,520 6.5,521 0.303,522 3.778,523 2.451,524 1.828,525 1.206,526 0.834,527 0.641,528 0.5,529 0.415,530 33973,531 80134,532 2.117,533 48.8,534 2,535 29,536 1,538 2,539 2,541 4,542 1.815,543 2.032,544 3.921,545 0.102,550 125.977,551 1.536,552 3.409,553 4.714,554 5.516,555 5.772,556 5.821,557 3.405,558 4.993,559 5.358,560 4.169,561 3589.83,562 9.497,563 68940.4,568 521.319,569 1.168,570 5.346,571 0.141,572 0.005,573 0.062,574 0.04,575 0.033,576 0.021,577 0.015,578 0.011,579 0.008,580 0.007,581 0.345,582 0.33,583 0.63,584 0.4,585 244.497,586 -0.018,587 -0.121,588 0.068,589 -0.007,590 -0.003,591 0.015,592 0.012,593 0.019,594 -0.051,595 -0.015,596 0.011,597 -0.052,598 -0.048,599 0.067,600 -0.079,601 -0.009,602 -0.082,603 -0.04,604 -0.054,605 -0.113,606 -0.075,607 -0.125,608 -0.073,609 -0.111,610 0.25,611 -0.063,612 0.165,613 0.004,614 0.233,615 0.039,616 -0.095,617 0.054,618 0.021,619 0.074,620 -0.083,621 0.085,622 -0.179,623 0.172,624 -0.062,625 0.09,626 -0.125,627 0.048,628 0.036,629 -0.089,630 -0.043,631 -0.068,632 0.069,633 -0.072,634 1.84,635 6.51,636 0.643,637 65.81,638 0.996,639 1.125,640 2.327,641 5.413,642 0.661,643 3.85,644 4.127,645 4.369,646 4.605,647 4.796,648 4.762,649 4.883,650 4.977,651 5.069,652 5.112,653 9.707,654 0.617,655 588.84,656 3.85,657 5.371,658 6.201,659 7.054,660 7.901,661 8.761,662 9.617,663 10.482,664 11.345,665 12.214,666 4.9,669 1,673 3,680 2,681 12,686 2,688 17,703 82,705 20,706 3,707 46,709 86,710 33,711 16,712 4,713 12,717 5,718 6,724 1,727 5,729 19,730 14,733 3,737 3,741 3,747 40,748 8,749 2,750 9,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 42,810 12,811 2,812 1,813 1,814 2,815 2,825 4.9,828 3,829 1,832 20.667,833 14.15,834 9.389,835 5.086,836 2.657,837 1.32,838 0.967,839 11.305,840 10.971,841 4.069,842 4.554,843 5.026,844 5.51,845 5.996,846 6.057,847 6.368,848 6.663,849 6.969,850 6.722,851 0.909,852 61,853 15.745,854 6.737,855 7.683,856 30.524,857 25.447,859 2.183,860 91.667,864 447.302,865 203.523,866 42.27,868 86.435,870 32.22,871 171.303,872 533.737,873 42.27,875 71.103,876 113.715,877 100.549,878 14.641,879 11.771,880 467.75,882 447.302,883 213.573,884 86.435,885 32.22,887 400.217,888 122.519,889 11,891 74.227,892 139.346,894 32.22,895 447.302,896 128.705,897 203.523,900 447.302,901 89.808,902 119.964,903 36.022,904 86.435,905 447.302,906 128.705,907 203.523,909 0.567,910 0.325,911 0.178,912 0.098,913 26,914 11,915 0.151,916 13,917 1,918 1.074,919 5.347,920 403.913,921 0.074,922 27,923 216.477,924 1,928 30.558,929 15.538,930 8.812,931 2.233,932 128.705,933 24.304,938 2.23,940 36.022,941 779.529,942 57.5,946 39.382,950 -0.455,952 81.698,953 92.224,954 0.242,955 0.536,956 0.741,957 0.868,958 0.908,959 0.916,960 5.295,961 1.939,962 6.146,963 6.049,964 4.812,965 5.242,966 3.852,967 6.899,968 4.741,969 6.437,970 1.651,971 7.662,972 5.617,973 4.205,974 4.856,975 2.604,976 7.684,977 4.114,978 7.701,979 1.618,980 9.282,981 4.606,982 6.34,983 7.285,984 5.853,985 10.799,986 6.2,987 8.998,988 1.549,989 10.967,990 3.792,991 6.608,992 7.791,993 4.477,994 12.501,995 6.436,996 10.332,997 1.462,998 12.697,999 3.308,1000 8.157,1001 9.692,1002 8.229,1003 15.115,1004 7.944,1005 11.692,1006 1.276,1007 14.459,1008 3.139,1009 8.86,1010 10.66,1011 6.673,1012 17.202,1013 8.603,1014 13.074,1015 1.26,1016 16.246,1017 2.847,1018 10.158,1019 12.333,1020 10.695,1021 19.651,1022 9.864,1023 3.175,1024 1.004,1025 18.052,1026 2.711,1027 11.081,1028 13.552,1029 9.187,1030 21.9,1031 10.739,1032 3.031,1033 10.792,1034 19.874,1035 2.306,1036 12.273,1037 15.12,1038 13.184,1039 24.291,1040 11.892,1041 2.53,1042 10.196,1043 21.708,1044 4.43,1045 13.306,1046 16.471,1047 11.819,1048 26.606,1049 12.875,1050 2.525,1051 7.341,1052 23.552,1053 3.456,1054 14.456,1055 17.992,1056 15.68,1057 28.978,1058 13.985,1059 2.454,1060 6.967,1061 25.404,1062 3.409,1063 15.543,1064 19.411,1065 14.466,1066 31.32,1067 15.022,1068 2.286,1069 6.956,1070 27.263,1071 2.944,1072 16.68,1073 20.911,1074 18.178,1075 33.686,1076 16.117,1077 2.099,1078 6.314,1079 29.128,1080 2.831,1081 17.792,1082 22.364,1083 17.102,1084 36.04,1085 17.181,1086 31664,1087 48814,1088 31.493,1089 54.194,1090 67.72,1091 71.933,1092 68.309,1093 67.313,1094 67.298,1095 82.735,1096 24.482,1097 182.89,1098 64.907,1099 5.493,1100 6.743,1101 6.495,1102 5.237,1103 5.175,1104 7.43,1105 6.971,1106 17.842,1107 5.028,1108 15.094,1109 1.472,1110 1.564,1111 1.485,1112 1.463,1113 1.463,1114 1.799,1115 0.532,1116 3.976,1117 1.411,1118 4.097,1119 4.12,1120 4.087,1121 4.056,1122 7.435,1123 4.051,1124 3.955,1125 3.99,1126 4.028,1127 3.886,1128 7.427,1129 3.871,1130 3.853,1131 3.899,1132 3.823,1133 3.753,1134 7.422,1135 3.728,1136 3.814,1137 3.861,1138 3.707,1139 3.618,1140 4.899,1141 3.625,1142 3.644,1143 3.697,1144 3.555,1145 3.446,1146 4.752,1147 3.454,1148 3.566,1149 3.624,1150 3.498,1151 3.403,1152 4.627,1153 3.405,1154 3.458,1155 3.504,1156 3.35,1157 3.334,1158 4.348,1159 3.331,1160 3.376,1161 3.434,1162 3.245,1163 3.202,1164 4.235,1165 3.201,1166 0.098,1167 0.103,1168 0.145,1169 0.089,1170 0.069,1171 4.493,1172 0.096,1173 4.743,1174 0.076,1175 6.693,1176 0.235,1177 4.101,1178 0.066,1179 3.175,1180 4.43,1181 3.508,1182 10.792,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.924,1191 1.894,1192 2.06,1193 2.011,1194 1.302,1195 2.03,1196 1.766,1197 1.702,1198 1.986,1199 2,1200 1.295,1201 2,1202 1.662,1203 1.626,1204 1.837,1205 1.891,1206 1.11,1207 1.872,1208 1.626,1209 1.579,1210 1.795,1211 1.825,1212 1.095,1213 1.822,1214 1.533,1215 1.475,1216 1.769,1217 1.733,1218 1.016,1219 1.753,1220 1.506,1221 1.462,1222 1.686,1223 1.63,1224 0.833,1225 1.658,1226 1.36,1227 1.306,1228 1.599,1229 1.569,1230 0.825,1231 1.586,1232 4.533,1233 5.82,1234 2.398,1235 7.295,1236 4.844,1237 8.856,1238 7.002,1239 10.465,1247 7.721,1248 6.007,1249 5.393,1250 1.505,1251 -0.667,1252 4.013,1257 50.614,1258 125.977,1259 279.559,1260 386.525,1261 452.3,1262 473.319,1263 477.319,1264 101.094,1265 8.315,1266 90.98,1267 116.28,1268 29,1269 12.76,1270 4.392,1271 3.644,1272 68.657,1273 235,1274 272,1275 0.131,1276 312.442,1277 553.59,1278 754.12,1279 58272,1281 29.15,1282 0.694,1283 0.591,1284 29.503,1285 24.82,1286 20.564,1287 0.447,1288 0.344,1289 14.769,1290 19.44,1291 14.411,1292 11.815,1293 20.972,1294 15.809,1295 17.807,1296 0.292,1297 0.201,1298 18.449,1299 12.232,1300 14.718,1301 0.189,1302 0.12,1303 15.543,1304 9.369,1305 12.08,1306 0.122,1307 0.071,1308 13.02,1309 7.027,1310 9.859,1311 0.082,1312 0.042,1313 10.703,1314 4.998,1315 0.211,1316 132.255,1317 0.178,1318 38.118,1319 0.346,1320 214,1321 589.759,1322 257.971,1323 582.202,1324 779.84,1325 548,1326 246,1327 529.265,1328 287.709,1329 545.695,1330 798.68,1331 516,1332 4}
{0 CHEMBL297145,1 1.719,2 13.974,3 3.969,4 15.751,5 155.419,6 8.487,7 0.395,8 4.328,9 4.438,10 4.033,11 3.942,12 5.392,13 3.893,14 4.9,15 5.061,16 4.454,17 4.379,18 5.943,19 4.295,20 5.2,21 5.396,22 4.565,23 4.545,24 6.222,25 4.433,26 5.248,27 5.439,28 4.647,29 4.537,30 6.349,31 4.407,32 5.225,33 5.441,34 4.461,35 4.469,36 6.339,37 4.343,38 5.216,39 5.434,40 4.545,41 4.422,42 6.393,43 4.313,44 5.157,45 5.364,46 4.478,47 4.413,48 6.282,49 4.313,50 5.158,51 5.333,52 4.605,53 4.439,54 6.434,55 4.34,56 0.056,57 0.988,58 12.292,59 6.381,60 9.777,61 7.938,62 0.38,63 1.706,64 28.976,65 11.524,66 31.564,67 14.311,68 0.558,69 2.098,70 47.35,71 16.731,72 72.957,73 20.197,74 0.836,75 2.126,76 59.812,77 18.094,78 103.848,79 20.928,80 0.718,81 2.093,82 50.247,83 17.92,84 110.398,85 21.998,86 0.881,87 2.006,88 57.006,89 16.854,90 122.926,91 20.419,92 0.616,93 1.888,94 46.666,95 15.637,96 89.436,97 18.783,98 0.911,99 1.9,100 52.615,101 16.447,102 134.679,103 18.09,104 26,105 60,106 0.269,107 0.554,108 0.731,109 0.856,110 0.882,111 0.891,112 3.693,113 1.028,114 -4.74,115 -4.65,116 -4.37,119 42,121 2,125 6,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 2,166 6,169 1,171 2,172 23,176 4,179 1,181 2,183 16,186 2,187 7,192 4,194 16,197 2,198 3,201 3,203 4,205 7,208 2,209 12,214 2,217 11,221 11,224 1,226 2,227 5,231 15,236 3,238 7,241 2,242 6,245 3,247 2,249 7,252 3330,253 26.413,254 26.413,255 26.413,256 26.413,257 26.413,258 23.932,259 27.543,260 15.612,261 27.087,262 21.209,263 21.209,264 21.209,265 21.209,266 21.209,267 17.359,268 30.779,269 7.405,270 22.374,271 4.389,272 2.56,273 1.43,274 0.631,275 0.464,276 0.406,277 4.396,279 2,283 1,284 1188,285 4.062,287 117.319,288 521.913,292 205.651,295 2.082,296 48.289,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 83.667,308 545,309 4.493,310 4.787,311 6.87,312 4.184,313 3.261,314 4.43,315 3.784,316 11.433,317 3.028,318 4.428,319 3.718,320 6.506,321 4.03,322 3.032,323 3.947,324 1.94,325 10.196,326 3,327 4.104,328 3.669,329 6.202,330 3.753,331 2.802,332 3.375,333 1.909,334 9.026,335 2.665,336 3.94,337 3.524,338 6.017,339 3.724,340 2.77,341 3.097,342 1.864,343 8.537,344 2.617,345 3.674,346 3.282,347 5.478,348 3.38,349 2.403,350 2.943,351 0.896,352 6.979,353 2.336,354 3.509,355 3.104,356 5.22,357 3.111,358 2.174,359 2.831,360 0.561,361 6.307,362 2.075,363 3.456,364 3.013,365 5.086,366 3.032,367 2.068,368 2.724,369 0.555,370 6.003,371 1.888,372 3.118,373 2.652,374 4.853,375 2.851,376 1.887,377 2.427,378 0.4,379 5.273,380 1.797,381 3.026,382 2.44,383 4.631,384 2.661,385 1.739,386 2.103,388 4.528,389 1.618,390 2.947,391 2.29,392 4.297,393 2.618,394 1.618,395 1.978,397 4.145,398 1.56,399 2.783,400 1.907,401 4.162,402 2.445,403 1.581,404 1.904,406 3.793,407 1.283,408 2.768,409 1.68,410 4,411 2.275,412 1.276,413 1.795,415 3.128,416 1.273,417 2.563,418 1.672,419 3.6,420 2.126,421 1.185,422 1.518,424 2.848,425 1.094,426 2.403,427 1.618,428 3.547,429 2.094,430 1.156,431 1.361,433 2.703,434 1.059,435 2.226,436 1.353,437 3.404,438 1.991,439 1.004,440 1.2,442 2.308,443 0.984,444 19.362,445 0.496,446 0.942,447 0.024,448 45.75,449 1.173,450 20.5,451 0.526,452 25.25,453 0.647,454 42.726,455 1.096,456 41.838,457 0.606,458 37.934,459 0.973,460 8.727,461 0.224,462 10.175,463 0.261,464 0.125,466 0.325,472 0.641,473 1.265,474 0.614,475 0.894,476 0.504,477 0.882,478 0.697,479 1.111,480 0.822,481 0.958,482 0.544,483 0.941,484 1.053,485 0.972,486 0.958,487 0.967,488 1.027,489 0.96,490 1.198,491 1.07,492 0.992,493 1.086,494 1.405,495 1.069,496 0.836,497 1.071,498 0.86,499 1.042,500 0.984,501 0.986,502 1.055,503 0.997,504 0.89,505 0.981,506 1.134,507 0.925,508 1.347,509 0.887,510 0.918,511 0.839,512 1.436,513 0.863,514 1.384,515 1.055,516 1.159,517 1.147,518 1.604,519 0.994,520 7,521 0.312,522 4.889,523 3.201,524 2.06,525 1.497,526 0.971,527 0.856,528 0.528,529 0.431,530 25484,531 72501,532 2.095,533 43.5,535 23,536 1,538 2,539 4,542 1.798,543 1.966,544 3.746,545 0.162,550 118.645,551 1.719,552 3.549,553 4.678,554 5.478,555 5.645,556 5.703,557 3.206,558 4.856,559 5.255,560 3.95,561 2926.85,562 9.291,563 50615.2,568 421.488,569 1.389,570 5.219,571 0.163,572 0.006,573 0.081,574 0.051,575 0.036,576 0.026,577 0.017,578 0.015,579 0.009,580 0.008,581 0.412,582 0.17,583 0.75,584 0.515,585 218.842,586 -0.039,587 -0.103,588 0.029,589 0.015,590 -0.012,591 0.024,592 0.04,593 0.047,594 -0.009,595 0.019,596 0.022,597 -0.014,598 -0.108,599 0.07,600 -0.024,601 0.032,602 -0.095,603 0.007,604 -0.053,605 -0.057,606 0.024,607 -0.043,608 -0.13,609 -0.098,610 0.132,611 -0.077,612 0.034,613 -0.026,614 0.096,615 0.004,616 0.095,617 -0.01,618 0.1,619 0.006,620 0.098,621 0.048,622 -0.141,623 0.093,624 0.036,625 0.115,626 -0.096,627 0.096,629 -0.037,630 -0.026,631 -0.057,632 0.01,633 -0.034,634 1.913,635 6.562,636 0.692,637 49.278,638 1.007,639 1.119,640 3.506,641 12.29,642 0.702,643 3.784,644 4.111,645 4.394,646 4.654,647 4.868,648 4.92,649 5.03,650 5.13,651 5.231,652 5.263,653 8.43,654 0.659,655 585.6,656 3.784,657 5.333,658 6.188,659 7.067,660 7.94,661 8.825,662 9.705,663 10.595,664 11.48,665 12.372,666 5.8,668 1,673 3,680 2,681 10,686 4,688 17,702 2,703 69,705 20,706 3,707 43,709 73,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 10,733 3,737 3,741 3,747 30,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 1,784 2,791 1,796 4,797 1,799 1,802 2,805 39,810 8,811 2,813 1,814 2,815 2,824 2,825 4.3,828 3,832 19.833,833 12.102,834 8.556,835 4.191,836 2.831,837 1.342,838 0.984,839 9.359,840 11.107,841 4.016,842 4.564,843 5.086,844 5.593,845 6.098,846 6.268,847 6.54,848 6.839,849 7.125,850 6.913,851 1,852 63,853 14.605,854 6.407,855 7.801,856 27.844,857 23.528,859 2.301,860 89.722,864 329.591,865 177.318,866 42.27,867 78.297,868 75.435,870 32.22,871 145.098,872 483.323,873 42.27,875 41.963,876 112.773,877 89.549,878 18.518,879 11.771,880 350.039,881 78.297,882 329.591,883 187.368,884 75.435,885 110.517,887 329.591,888 75.435,891 59.973,892 127.395,893 78.297,894 32.22,895 329.591,896 117.705,897 255.615,900 329.591,901 82.555,902 101.011,903 36.022,904 153.732,905 329.591,906 117.705,907 255.615,909 0.582,910 0.344,911 0.187,912 0.102,913 28,914 13,915 0.11,916 8,917 1,918 1.074,919 4.876,920 386.186,921 0.074,922 27,923 200.131,924 1,928 28.25,929 12.921,930 6.722,931 2.198,932 117.705,933 19.242,938 2.716,940 36.022,941 702.911,942 54.5,946 39.379,950 -0.343,952 69.483,953 77.242,954 0.281,955 0.581,956 0.766,957 0.897,958 0.924,959 0.934,960 5.269,961 1.887,962 6.172,963 6.003,964 4.796,965 5.252,966 3.904,967 6.987,968 4.694,969 6.451,970 1.739,971 7.735,972 5.273,973 4.369,974 5.047,975 2.909,976 7.906,977 4.189,978 7.748,979 1.618,980 9.401,981 4.528,982 6.392,983 7.376,984 6.079,985 11.028,986 6.203,987 9.079,988 1.581,989 11.128,990 4.145,991 6.804,992 8.009,993 5.237,994 12.807,995 6.54,996 10.444,997 1.276,998 12.896,999 3.793,1000 8.287,1001 9.841,1002 8.607,1003 15.447,1004 8.007,1005 11.832,1006 1.185,1007 14.693,1008 3.128,1009 9.09,1010 10.881,1011 7.912,1012 17.581,1013 8.737,1014 13.239,1015 1.156,1016 16.51,1017 2.848,1018 10.36,1019 12.51,1020 11.213,1021 20.061,1022 9.979,1023 3.261,1024 1.004,1025 18.342,1026 2.703,1027 11.346,1028 13.76,1029 10.718,1030 22.347,1031 10.898,1032 3.032,1033 11.433,1034 20.187,1035 2.308,1036 12.532,1037 15.3,1038 13.838,1039 24.775,1040 12.045,1041 2.802,1042 10.196,1043 22.042,1044 4.43,1045 13.604,1046 16.658,1047 13.53,1048 27.129,1049 13.053,1050 2.77,1051 9.026,1052 23.905,1053 3.947,1054 14.761,1055 18.159,1056 16.47,1057 29.543,1058 14.163,1059 2.403,1060 8.537,1061 25.775,1062 3.375,1063 15.875,1064 19.573,1065 16.322,1066 31.929,1067 15.214,1068 2.174,1069 6.979,1070 27.65,1071 3.097,1072 17.024,1073 21.058,1074 19.103,1075 34.342,1076 16.31,1077 2.068,1078 6.307,1079 29.531,1080 2.943,1081 18.158,1082 22.502,1083 19.093,1084 36.745,1085 17.382,1086 23821,1087 40412,1088 28.838,1089 48.409,1090 64.686,1091 69.604,1092 66.36,1093 64.472,1094 64.116,1095 79.894,1096 23.819,1097 183.919,1098 60.621,1099 5.493,1100 6.787,1101 6.672,1102 5.324,1103 5.261,1104 7.43,1105 7.434,1106 18.947,1107 5.028,1108 18.815,1109 1.504,1110 1.619,1111 1.543,1112 1.499,1113 1.491,1114 1.858,1115 0.554,1116 4.277,1117 1.41,1118 4.097,1119 4.12,1120 4.168,1121 4.057,1122 7.434,1123 4.051,1124 3.978,1125 4.001,1126 4.039,1127 3.929,1128 7.426,1129 3.908,1130 3.84,1131 3.9,1132 3.957,1133 3.687,1134 7.423,1135 3.68,1136 3.758,1137 3.788,1138 3.736,1139 3.61,1140 5.015,1141 3.611,1142 3.59,1143 3.646,1144 3.585,1145 3.433,1146 4.896,1147 3.431,1148 3.482,1149 3.528,1150 3.505,1151 3.349,1152 4.628,1153 3.349,1154 3.382,1155 3.424,1156 3.385,1157 3.212,1158 4.389,1159 3.21,1160 3.167,1161 3.224,1162 3.332,1163 3.045,1164 4.347,1165 3.034,1166 0.104,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.493,1172 0.103,1173 4.787,1174 0.088,1175 6.87,1176 0.266,1177 4.184,1178 0.07,1179 3.261,1180 4.43,1181 3.784,1182 11.433,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.982,1193 2.017,1194 1.266,1195 2.012,1196 1.774,1197 1.709,1198 1.943,1199 1.953,1200 1.187,1201 1.966,1202 1.656,1203 1.62,1204 1.818,1205 1.854,1206 1.121,1207 1.847,1208 1.554,1209 1.495,1210 1.764,1211 1.764,1212 1.027,1213 1.768,1214 1.497,1215 1.456,1216 1.679,1217 1.62,1218 0.826,1219 1.645,1220 1.277,1221 1.226,1222 1.513,1223 1.498,1224 0.825,1225 1.493,1226 1.193,1227 1.162,1228 1.497,1229 1.395,1230 0.614,1231 1.429,1232 4.466,1233 5.79,1234 2.398,1235 7.307,1236 4.844,1237 8.912,1238 7.018,1239 10.564,1242 12.645,1247 3.743,1248 6.228,1250 1.393,1251 -0.988,1252 3.509,1257 45.447,1258 118.645,1259 244.872,1260 322.785,1261 377.978,1262 389.488,1263 393.488,1264 97.763,1265 8.277,1266 81.75,1267 107.05,1268 29,1269 12.901,1270 4.392,1271 3.644,1272 61.249,1273 194,1274 191,1275 0.147,1276 286.743,1277 506.02,1278 691.412,1279 51160,1280 2.9,1281 27.355,1282 0.701,1283 0.608,1284 28.708,1285 23.697,1286 18.902,1287 0.44,1288 0.343,1289 13.034,1290 17.337,1291 12.645,1292 10.311,1293 19.887,1294 14.731,1295 17.012,1296 0.284,1297 0.197,1298 18.407,1299 11.806,1300 14.46,1301 0.181,1302 0.114,1303 15.914,1304 9.152,1305 12.041,1306 0.116,1307 0.069,1308 13.887,1309 7.159,1310 9.654,1311 0.075,1312 0.038,1313 10.939,1314 4.959,1315 0.233,1316 127.643,1317 0.186,1318 35.324,1319 0.399,1320 206,1321 594.43,1322 278.132,1323 652.23,1324 857.12,1325 608,1326 243,1327 548.495,1328 305.384,1329 584.94,1330 863.75,1331 553,1332 5.456}
{0 CHEMBL297173,1 1.766,2 16.357,3 3.254,4 10.59,5 163.653,6 8.201,7 0.267,8 4.448,9 4.555,10 4.11,11 3.961,12 5.519,13 3.93,14 5.031,15 5.201,16 4.498,17 4.368,18 6.073,19 4.304,20 5.264,21 5.449,22 4.606,23 4.542,24 6.303,25 4.444,26 5.353,27 5.554,28 4.703,29 4.576,30 6.414,31 4.451,32 5.372,33 5.603,34 4.588,35 4.522,36 6.508,37 4.414,38 5.355,39 5.57,40 4.583,41 4.491,42 6.488,43 4.388,44 5.295,45 5.503,46 4.544,47 4.446,48 6.468,49 4.357,50 5.269,51 5.47,52 4.586,53 4.428,54 6.542,55 4.332,56 0.131,57 1.101,58 15.337,59 7.511,60 12.483,61 9.215,62 0.732,63 1.778,64 37.113,65 12.76,66 51.855,67 15.703,68 0.938,69 2.101,70 51.594,71 17.151,72 86.014,73 20.858,74 1.144,75 2.235,76 66.944,77 19.217,78 105.684,79 23.546,80 1.132,81 2.242,82 59.31,83 18.802,84 144.329,85 24.519,86 1.332,87 2.104,88 64.871,89 18.106,90 131.333,91 22.444,92 1.151,93 2.013,94 55.168,95 16.48,96 126.739,97 20.405,98 1.344,99 1.938,100 58.799,101 17.033,102 174.192,103 20.803,104 54,105 61,106 0.272,107 0.567,108 0.783,109 0.866,110 0.874,111 0.886,112 3.765,113 1.029,114 -2.93,115 -2.94,116 -2.84,119 37.2,121 2,124 2,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 4,165 1,166 8,169 2,171 3,172 12,175 2,176 6,179 1,181 1,183 5,186 1,187 9,190 2,192 3,194 8,197 3,198 6,201 3,203 2,205 2,208 2,209 10,212 1,214 3,217 7,220 1,221 7,224 1,226 4,227 3,230 2,231 8,234 2,235 1,236 3,238 6,241 4,242 7,247 1,249 5,252 4528,253 28.308,254 28.308,255 28.308,256 28.308,257 28.308,258 26.365,259 37.817,260 16.844,261 29.473,262 22.075,263 22.075,264 22.075,265 22.075,266 22.075,267 18.878,268 43.545,269 7.877,270 23.815,271 4.519,272 2.604,273 1.202,274 0.66,275 0.609,276 0.532,277 4.455,279 2,283 1,284 1450,285 4.637,287 138.671,288 502.469,295 2.724,296 58.744,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 92.667,308 687,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.267,319 3.669,320 6.205,321 3.872,322 2.906,323 3.911,324 1.963,325 9.169,326 2.803,327 4.108,328 3.615,329 6.172,330 3.739,331 2.795,332 3.387,333 1.909,334 9.035,335 2.619,336 3.701,337 3.515,338 5.509,339 3.452,340 2.525,341 2.904,342 1.859,343 7.117,344 2.4,345 3.602,346 3.26,347 5.34,348 3.42,349 2.446,350 2.83,351 0.901,352 6.965,353 2.308,354 3.532,355 3.178,356 5.228,357 3.272,358 2.294,359 2.812,360 0.86,361 6.526,362 2.236,363 3.516,364 3.001,365 5.134,366 3.158,367 2.226,368 2.7,369 0.86,370 6.215,371 2.069,372 3.475,373 2.885,374 4.999,375 3.056,376 2.129,377 2.519,378 0.86,379 5.886,380 1.88,381 2.981,382 2.674,383 4.812,384 2.663,385 1.765,386 2.09,387 0.8,388 5.08,389 1.561,390 2.918,391 2.649,392 4.596,393 2.538,394 1.615,395 2.053,396 0.561,397 4.425,398 1.494,399 2.738,400 2.176,401 4.369,402 2.516,403 1.596,404 1.752,405 0.215,406 4.154,407 1.427,408 2.611,409 2.114,410 3.999,411 2.403,412 1.515,413 1.605,415 3.308,416 1.271,417 2.562,418 1.819,419 3.715,420 2.178,421 1.26,422 1.515,424 3.125,425 1.137,426 2.311,427 1.68,428 3.475,429 2.112,430 1.174,431 1.295,433 2.704,434 1.061,435 2.034,436 1.678,437 3.306,438 1.952,439 1,440 1,442 2.136,443 0.946,444 20.362,445 0.485,446 0.976,447 0.023,448 45.25,449 1.077,450 17.5,451 0.417,452 27.75,453 0.661,454 49.046,455 1.168,456 48.038,457 0.616,458 40.425,459 0.962,460 8.982,461 0.214,462 11.301,463 0.269,464 0.168,466 0.309,472 0.754,473 1.478,474 0.643,475 1.073,476 0.546,477 1.002,478 1.037,479 1.075,480 0.851,481 0.897,482 0.636,483 0.878,484 1.074,485 1.04,486 1.012,487 1.008,488 1.094,489 1.01,490 0.928,491 1.129,492 0.953,493 1.099,494 1.147,495 1.072,496 0.717,497 1.056,498 0.738,499 0.964,500 0.82,501 0.905,502 1.11,503 0.982,504 0.954,505 0.945,506 1.255,507 0.945,508 1.216,509 0.974,510 0.944,511 0.915,512 1.593,513 0.934,514 1.006,515 1.022,516 1.021,517 1.049,518 1.417,519 0.968,520 8.5,521 0.37,522 4.444,523 3.076,524 2.513,525 1.852,526 0.99,527 0.867,528 0.513,529 0.463,530 31038,531 94871,532 2.02,533 46.2,535 29,536 1,538 2,539 2,541 2,542 1.815,543 1.881,544 3.93,545 0.196,550 137.753,551 1.766,552 3.681,553 5.083,554 5.625,555 5.676,556 5.753,557 3.463,558 5.249,559 5.356,560 4.16,561 3581.83,562 9.494,563 67349.9,568 490.261,569 1.443,570 5.316,571 0.189,572 0.007,573 0.073,574 0.048,575 0.041,576 0.029,577 0.017,578 0.015,579 0.009,580 0.008,581 0.436,582 0.33,583 0.63,584 0.768,585 243.477,586 -0.05,587 -0.217,588 0.036,589 -0.063,590 -0.011,591 -0.02,592 -0.092,593 0.09,594 0.011,595 0.12,596 0.009,597 0.077,598 -0.116,599 0.046,600 -0.056,601 0.023,602 -0.112,603 -0.03,604 0.002,605 -0.079,606 0.057,607 -0.042,608 -0.068,609 -0.076,610 0.145,611 -0.05,612 0.133,613 0.02,614 0.211,615 0.086,616 -0.034,617 0.011,618 0.023,619 0.032,620 -0.016,621 0.021,622 -0.113,623 0.041,624 -0.001,625 0.041,626 -0.103,627 0.016,628 0.104,629 -0.022,630 0.041,631 -0.019,632 0.123,633 0.011,634 2.02,635 6.544,636 0.548,637 64.925,638 1.014,639 1.13,640 1.702,641 2.897,642 0.667,643 3.829,644 4.127,645 4.369,646 4.605,647 4.812,648 4.86,649 4.927,650 4.984,651 5.056,652 5.088,653 9.522,654 0.63,655 639.66,656 3.829,657 5.361,658 6.196,659 7.062,660 7.919,661 8.793,662 9.661,663 10.542,664 11.417,665 12.303,666 5.1,669 1,673 3,681 6,686 6,688 12,701 2,702 2,703 78,705 15,706 2,707 45,709 81,710 29,711 12,712 6,713 6,717 4,718 4,719 2,724 1,727 3,729 15,730 14,733 3,737 3,741 3,747 36,748 10,749 2,750 13,751 3,755 4,760 1,761 6,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 2,802 2,805 42,810 10,811 2,812 3,813 1,814 2,815 2,824 2,825 7.7,828 3,829 1,830 2,832 22.333,833 14.269,834 9.5,835 4.505,836 1.68,837 1.208,838 0.935,839 12.785,840 9.749,841 4.007,842 4.489,843 4.916,844 5.344,845 5.796,846 5.874,847 5.971,848 6.152,849 6.34,850 6.377,851 1,852 64,853 15.709,854 6.689,855 7.862,856 29.667,857 24.055,859 2.362,860 99.222,864 400.217,865 175.704,866 42.27,867 78.297,868 108.434,870 32.22,871 143.485,872 586.949,873 42.27,874 21.766,875 66.034,876 56.857,877 100.549,878 48.983,879 11.771,880 420.666,881 78.297,882 400.217,883 185.755,884 108.434,885 110.517,887 376.675,888 120.977,889 11,891 69.158,892 116.597,893 78.297,894 32.22,895 400.217,896 150.705,897 254.002,900 400.217,901 97.081,902 84.872,903 36.022,904 186.732,905 400.217,906 150.705,907 254.002,909 0.572,910 0.334,911 0.179,912 0.1,913 25,914 13,915 0.16,916 13,918 1,919 5.117,920 404.955,922 23,923 222.477,924 1,928 33.019,929 16.262,930 9.308,932 150.705,933 10.389,938 3.511,940 36.022,941 804.924,942 54,946 39.382,950 -0.858,952 79.116,953 88.116,954 0.281,955 0.586,956 0.809,957 0.895,958 0.903,959 0.915,960 5.257,961 2.129,962 6.172,963 6.215,964 4.812,965 5.176,966 4,967 6.957,968 4.67,969 6.416,970 1.765,971 7.717,972 5.886,973 4.369,974 4.956,975 2.909,976 7.823,977 4.152,978 7.699,979 1.615,980 9.362,981 5.08,982 6.382,983 7.193,984 6.091,985 10.923,986 6.125,987 9.011,988 1.596,989 11.067,990 4.425,991 6.758,992 7.764,993 5.238,994 12.651,995 6.42,996 10.357,997 1.515,998 12.812,999 4.154,1000 8.234,1001 9.519,1002 8.608,1003 15.288,1004 7.857,1005 11.724,1006 1.26,1007 14.586,1008 3.308,1009 9.002,1010 10.454,1011 7.914,1012 17.4,1013 8.537,1014 13.107,1015 1.174,1016 16.383,1017 3.125,1018 10.265,1019 12.019,1020 11.213,1021 19.886,1022 9.753,1023 3.266,1024 1,1025 18.197,1026 2.704,1027 11.229,1028 13.141,1029 10.72,1030 22.171,1031 10.625,1032 2.906,1033 11.459,1034 20.027,1035 2.136,1036 12.411,1037 14.616,1038 13.839,1039 24.61,1040 11.749,1041 2.795,1042 9.169,1043 21.87,1044 3.947,1045 13.472,1046 15.84,1047 13.531,1048 26.973,1049 12.719,1050 2.525,1051 9.035,1052 23.724,1053 3.911,1054 14.627,1055 17.269,1056 16.47,1057 29.4,1058 13.805,1059 2.446,1060 7.117,1061 25.587,1062 3.387,1063 15.737,1064 18.552,1065 16.323,1066 31.799,1067 14.826,1068 2.294,1069 6.965,1070 27.458,1071 2.904,1072 16.888,1073 19.954,1074 19.103,1075 34.226,1076 15.901,1077 2.226,1078 6.526,1079 29.335,1080 2.83,1081 18.024,1082 21.271,1083 19.094,1084 36.643,1085 16.948,1086 29941,1087 52617,1088 29.531,1089 52.057,1090 66.149,1091 70.931,1092 68.61,1093 66.083,1094 65.786,1095 77.985,1096 29.143,1097 184.272,1098 60.767,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.009,1108 23.98,1109 1.47,1110 1.576,1111 1.525,1112 1.469,1113 1.462,1114 1.733,1115 0.648,1116 4.095,1117 1.35,1118 4,1119 4.024,1120 4.167,1121 3.938,1122 7.435,1123 3.92,1124 3.928,1125 3.945,1126 3.961,1127 3.85,1128 7.427,1129 3.853,1130 3.829,1131 3.889,1132 3.887,1133 3.674,1134 7.422,1135 3.661,1136 3.766,1137 3.792,1138 3.707,1139 3.616,1140 5.015,1141 3.618,1142 3.635,1143 3.687,1144 3.583,1145 3.413,1146 4.918,1147 3.431,1148 3.502,1149 3.556,1150 3.549,1151 3.289,1152 4.629,1153 3.302,1154 3.348,1155 3.395,1156 3.451,1157 3.146,1158 4.627,1159 3.148,1160 3.289,1161 3.339,1162 3.243,1163 3.035,1164 4.578,1165 3.042,1166 0.098,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.432,1172 0.088,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.19,1178 0.067,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.901,1185 1.884,1186 2.001,1187 2.017,1188 1.299,1189 2.012,1190 1.896,1191 1.881,1192 1.987,1193 2.003,1194 1.181,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.161,1201 1.97,1202 1.649,1203 1.617,1204 1.825,1205 1.863,1206 1.099,1207 1.852,1208 1.581,1209 1.528,1210 1.777,1211 1.806,1212 1.081,1213 1.802,1214 1.438,1215 1.381,1216 1.644,1217 1.67,1218 0.868,1219 1.67,1220 1.297,1221 1.248,1222 1.593,1223 1.567,1224 0.825,1225 1.575,1226 1.203,1227 1.134,1228 1.564,1229 1.512,1230 0.682,1231 1.53,1232 4.511,1233 5.814,1234 2.398,1235 7.302,1236 4.844,1237 8.876,1238 7.018,1239 10.499,1241 3.113,1242 12.613,1247 5.413,1248 5.795,1249 16.004,1250 1.3,1251 -1.227,1252 3.788,1257 49.172,1258 137.753,1259 287.126,1260 396.487,1261 438.752,1262 442.752,1263 448.752,1264 128.676,1265 8.069,1266 109.44,1267 134.74,1268 23,1269 12.837,1270 4,1271 3.322,1272 78.912,1273 230,1274 272,1275 0.157,1276 311.98,1277 560.93,1278 752.99,1279 39551,1280 2.6,1281 30.062,1282 0.716,1283 0.62,1284 31.415,1285 26.026,1286 20.282,1287 0.451,1288 0.343,1289 13.619,1290 18.263,1291 13.158,1292 10.779,1293 21.268,1294 15.439,1295 17.805,1296 0.292,1297 0.198,1298 19.2,1299 12.057,1300 14.636,1301 0.188,1302 0.117,1303 16.089,1304 9.121,1305 11.788,1306 0.119,1307 0.07,1308 13.624,1309 6.89,1310 9.429,1311 0.077,1312 0.039,1313 10.751,1314 4.709,1315 0.251,1316 139.149,1317 0.184,1318 37.916,1319 0.417,1320 212,1321 711.636,1322 292.767,1323 738.492,1324 954.8,1325 690,1326 245,1327 595.081,1328 315.662,1329 628.38,1330 919.76,1331 587,1332 4.495}
{0 CHEMBL297335,1 1.674,2 13.947,3 4.922,4 24.229,5 154.223,6 8.299,7 0.405,8 4.326,9 4.432,10 4.017,11 3.937,12 5.352,13 3.883,14 4.909,15 5.068,16 4.427,17 4.37,18 5.906,19 4.282,20 5.189,21 5.386,22 4.527,23 4.54,24 6.149,25 4.414,26 5.25,27 5.462,28 4.606,29 4.543,30 6.236,31 4.39,32 5.243,33 5.476,34 4.414,35 4.476,36 6.251,37 4.329,38 5.223,39 5.449,40 4.467,41 4.428,42 6.268,43 4.295,44 5.157,45 5.367,46 4.438,47 4.414,48 6.219,49 4.299,50 5.166,51 5.356,52 4.532,53 4.448,54 6.32,55 4.322,56 0.03,57 0.957,58 12.987,59 6.639,60 7.28,61 8.322,62 0.369,63 1.667,64 30.849,65 11.948,66 30.863,67 14.682,68 0.532,69 2.052,70 47.878,71 16.972,72 57.465,73 20.754,74 0.658,75 2.158,76 61.532,77 18.707,78 72.985,79 22.69,80 0.609,81 2.132,82 52.622,83 18.698,84 89.345,85 23.546,86 0.742,87 2.027,88 59.179,89 17.597,90 87.988,91 21.477,92 0.581,93 1.878,94 47.31,95 15.909,96 75.565,97 19.45,98 0.757,99 1.912,100 55.199,101 17.231,102 107.523,103 19.782,104 17,105 58,106 0.262,107 0.56,108 0.751,109 0.854,110 0.88,111 0.889,112 3.668,113 1.045,114 -5.16,115 -5.05,116 -4.73,119 42,121 2,125 7,127 1,128 1,138 10,139 4,140 2,151 2,163 13,165 1,166 5,169 1,171 2,172 23,175 1,176 4,181 2,183 16,186 1,187 7,192 4,194 16,197 2,198 4,201 2,203 3,205 7,208 1,209 10,214 2,217 11,220 1,221 9,226 2,227 5,231 12,236 3,238 7,241 2,242 8,245 1,249 7,252 3160,253 25.913,254 25.913,255 25.913,256 25.913,257 25.913,258 23.562,259 27.333,260 15.459,261 26.7,262 20.748,263 20.748,264 20.748,265 20.748,266 20.748,267 17.171,268 31.702,269 7.357,270 22.096,271 4.434,272 2.534,273 1.315,274 0.66,275 0.493,276 0.435,277 4.374,279 2,283 1,284 1159,285 3.808,287 113.355,288 505.809,292 198.679,295 2.114,296 40.084,299 0.75,300 0.83,301 0.67,302 0.9,303 0.5,304 0.83,305 1,306 0.78,307 81.167,308 530,309 4.493,310 4.787,311 6.869,312 4.183,313 3.26,314 4.43,315 3.784,316 11.431,317 3.028,318 4.427,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.998,327 4.101,328 3.525,329 6.202,330 3.737,331 2.792,332 3.373,333 1.864,334 9.024,335 2.619,336 3.676,337 3.284,338 5.48,339 3.441,340 2.522,341 2.943,342 0.896,343 7.011,344 2.347,345 3.52,346 3.104,347 5.339,348 3.377,349 2.402,350 2.831,351 0.86,352 6.935,353 2.297,354 3.509,355 3.015,356 5.22,357 3.111,358 2.174,359 2.725,360 0.8,361 6.307,362 2.075,363 3.455,364 2.883,365 5.086,366 3.031,367 2.067,368 2.52,369 0.561,370 6.002,371 1.886,372 3.118,373 2.652,374 4.852,375 2.763,376 1.834,377 2.427,379 5.262,380 1.663,381 3.01,382 2.29,383 4.628,384 2.618,385 1.624,386 2.101,388 4.495,389 1.618,390 2.837,391 2.178,392 4.162,393 2.486,394 1.618,395 1.905,397 3.794,398 1.354,399 2.77,400 1.917,401 4.002,402 2.388,403 1.513,404 1.873,406 3.246,407 1.279,408 2.564,409 1.68,410 3.71,411 2.275,412 1.276,413 1.54,415 3.125,416 1.269,417 2.539,418 1.618,419 3.599,420 2.12,421 1.18,422 1.517,424 2.848,425 1.073,426 2.403,427 1.353,428 3.485,429 2.035,430 1.088,431 1.36,433 2.473,434 1.016,435 2.145,436 1.256,437 3.375,438 1.968,439 1,440 1.113,442 2.267,443 0.959,444 18.962,445 0.499,446 0.853,447 0.022,448 43.5,449 1.145,450 19,451 0.5,452 24.5,453 0.645,454 42.307,455 1.113,456 41.038,457 0.595,458 34.243,459 0.901,460 8.231,461 0.217,462 10.26,463 0.27,464 0.11,466 0.306,472 0.671,473 1.273,474 0.619,475 0.928,476 0.52,477 0.91,478 0.924,479 1.085,480 0.846,481 0.935,482 0.599,483 0.927,484 1.04,485 1.008,486 0.968,487 0.972,488 1.008,489 0.979,490 0.932,491 1.085,492 0.936,493 1.076,494 1.156,495 1.051,496 0.711,497 1.064,498 0.824,499 1.013,500 0.802,501 0.961,502 1.085,503 1.023,504 0.962,505 1.012,506 1.273,507 0.955,508 1.311,509 0.924,510 0.928,511 0.849,512 1.59,513 0.893,514 1.26,515 1.068,516 1.211,517 1.173,518 1.635,519 1.032,520 6.5,521 0.312,522 4.222,523 2.951,524 2.02,525 1.348,526 0.833,527 0.762,528 0.466,529 0.375,530 24273,531 66915,532 2.113,533 44.9,535 25,536 1,538 1,539 2,541 2,542 1.791,543 2,544 3.744,545 -0.374,550 115.517,551 1.674,552 3.574,553 4.794,554 5.449,555 5.616,556 5.674,557 3.209,558 5.037,559 5.217,560 3.951,561 2777.4,562 9.212,563 47459.2,568 421.488,569 1.324,570 5.189,571 0.155,572 0.006,573 0.073,574 0.049,575 0.037,576 0.025,577 0.016,578 0.014,579 0.008,580 0.007,581 0.391,582 0.17,583 0.75,584 0.48,585 212.076,586 -0.021,587 -0.123,588 0.036,589 -0.007,590 -0.007,591 0.013,592 -0.042,593 0.059,594 -0.018,595 0.046,596 0.007,597 0.002,598 -0.092,599 0.037,600 -0.032,601 0.028,602 -0.081,603 -0.011,604 0.005,605 -0.056,606 0.07,607 -0.037,608 -0.045,609 -0.064,610 0.144,611 -0.062,612 0.061,613 -0.004,614 0.17,615 0.035,616 0.014,617 -0.02,618 0.042,619 -0.011,620 0.012,621 0.019,622 -0.119,623 0.067,624 0.019,625 0.101,626 -0.103,627 0.062,628 -0.006,629 -0.046,630 -0.058,631 -0.083,632 -0.003,633 -0.056,634 1.806,635 6.557,636 0.711,637 48.676,638 1.004,639 1.118,640 3.931,641 15.455,642 0.698,643 3.761,644 4.078,645 4.357,646 4.625,647 4.836,648 4.875,649 4.984,650 5.088,651 5.193,652 5.215,653 8.415,654 0.651,655 572.6,656 3.761,657 5.303,658 6.155,659 7.031,660 7.9,661 8.783,662 9.661,663 10.549,664 11.432,665 12.323,666 4.3,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 69,705 19,706 3,707 42,709 73,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 18,730 11,733 2,737 2,741 2,747 31,748 6,749 1,750 9,751 3,755 3,760 0.8,761 3,775 1,776 4,780 1,783 1,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 38,810 9,811 1,812 1,813 1,814 2,815 2,824 2,825 4.3,828 2,829 1,832 19,833 12.102,834 8.361,835 4.241,836 2.837,837 1.344,838 0.979,839 9.39,840 11.08,841 3.98,842 4.522,843 5.048,844 5.57,845 6.08,846 6.241,847 6.517,848 6.817,849 7.102,850 6.865,851 1,852 60,853 14.193,854 6.149,855 7.699,856 27.41,857 23.14,859 2.199,860 83.556,864 353.133,865 179.692,866 24.259,867 78.297,868 61.29,870 32.22,871 147.472,872 492.72,873 24.259,875 45.917,876 94.762,877 70.699,878 21.643,879 11.771,880 373.581,881 78.297,882 353.133,883 171.732,884 61.29,885 110.517,887 329.591,888 73.832,889 11,891 49.042,892 122.69,893 78.297,894 32.22,895 353.133,896 85.549,897 257.989,900 353.133,901 84.929,902 101.011,903 18.011,904 139.587,905 353.133,906 85.549,907 257.989,909 0.578,910 0.339,911 0.188,912 0.103,913 27,914 12,915 0.123,916 9,917 1,918 1.074,919 4.861,920 369.824,921 0.074,922 27,923 193.421,924 1,928 27.6,929 12.928,930 6.798,931 2.252,932 85.549,933 19.58,938 2.982,940 18.011,941 696.671,942 52.5,946 26.535,950 -0.159,952 69.265,953 77.159,954 0.274,955 0.585,956 0.785,957 0.892,958 0.919,959 0.929,960 5.227,961 1.834,962 6.129,963 6.002,964 4.762,965 5.209,966 3.808,967 6.934,968 4.644,969 6.399,970 1.624,971 7.682,972 5.262,973 4.29,974 4.966,975 2.668,976 7.83,977 4.086,978 7.69,979 1.618,980 9.338,981 4.495,982 6.344,983 7.33,984 6.04,985 10.96,986 6.131,987 9.014,988 1.513,989 11.058,990 3.794,991 6.723,992 7.947,993 5.115,994 12.737,995 6.432,996 10.375,997 1.276,998 12.821,999 3.246,1000 8.226,1001 9.802,1002 8.596,1003 15.384,1004 7.92,1005 11.761,1006 1.18,1007 14.613,1008 3.125,1009 9.011,1010 10.84,1011 7.878,1012 17.525,1013 8.633,1014 13.167,1015 1.088,1016 16.428,1017 2.848,1018 10.291,1019 12.483,1020 11.21,1021 20.013,1022 9.887,1023 3.26,1024 1,1025 18.261,1026 2.473,1027 11.272,1028 13.736,1029 10.71,1030 22.307,1031 10.8,1032 3.032,1033 11.431,1034 20.107,1035 2.267,1036 12.465,1037 15.283,1038 13.838,1039 24.742,1040 11.955,1041 2.792,1042 10.196,1043 21.964,1044 4.43,1045 13.537,1046 16.644,1047 13.529,1048 27.102,1049 12.965,1050 2.522,1051 9.024,1052 23.829,1053 3.947,1054 14.699,1055 18.149,1056 16.469,1057 29.521,1058 14.081,1059 2.402,1060 7.011,1061 25.703,1062 3.373,1063 15.815,1064 19.566,1065 16.321,1066 31.912,1067 15.136,1068 2.174,1069 6.935,1070 27.582,1071 2.943,1072 16.97,1073 21.053,1074 19.103,1075 34.328,1076 16.238,1077 2.067,1078 6.307,1079 29.466,1080 2.831,1081 18.107,1082 22.499,1083 19.093,1084 36.734,1085 17.315,1086 22611,1087 37765,1088 28.433,1089 48.165,1090 62.774,1091 67.187,1092 64.142,1093 62.735,1094 62.343,1095 77.102,1096 21.347,1097 176.917,1098 58.368,1099 5.493,1100 6.787,1101 6.671,1102 5.322,1103 5.26,1104 7.43,1105 7.434,1106 18.945,1107 5.028,1108 16.545,1109 1.495,1110 1.6,1111 1.527,1112 1.494,1113 1.484,1114 1.836,1115 0.508,1116 4.212,1117 1.39,1118 4.097,1119 4.119,1120 4.168,1121 4.056,1122 7.432,1123 4.051,1124 3.976,1125 3.999,1126 4.039,1127 3.929,1128 7.423,1129 3.908,1130 3.821,1131 3.874,1132 3.957,1133 3.685,1134 5.015,1135 3.671,1136 3.753,1137 3.783,1138 3.69,1139 3.588,1140 4.896,1141 3.59,1142 3.583,1143 3.639,1144 3.584,1145 3.432,1146 4.63,1147 3.428,1148 3.472,1149 3.522,1150 3.504,1151 3.336,1152 4.626,1153 3.335,1154 3.366,1155 3.415,1156 3.356,1157 3.206,1158 4.348,1159 3.195,1160 3.159,1161 3.217,1162 3.304,1163 3.044,1164 4.234,1165 3.03,1166 0.107,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.493,1172 0.105,1173 4.787,1174 0.09,1175 6.869,1176 0.272,1177 4.183,1178 0.072,1179 3.26,1180 4.43,1181 3.784,1182 11.431,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.99,1193 2.006,1194 1.31,1195 2.006,1196 1.762,1197 1.7,1198 1.937,1199 1.948,1200 1.177,1201 1.96,1202 1.652,1203 1.618,1204 1.817,1205 1.852,1206 1.12,1207 1.844,1208 1.544,1209 1.488,1210 1.772,1211 1.757,1212 1.049,1213 1.766,1214 1.496,1215 1.453,1216 1.68,1217 1.619,1218 0.826,1219 1.646,1220 1.278,1221 1.226,1222 1.513,1223 1.496,1224 0.825,1225 1.497,1226 1.203,1227 1.161,1228 1.5,1229 1.39,1230 0.67,1231 1.429,1232 4.443,1233 5.759,1234 2.398,1235 7.269,1236 4.844,1237 8.869,1238 7.018,1239 10.517,1242 12.697,1247 6.194,1248 3.028,1249 5.442,1250 1.493,1251 -0.726,1252 4.239,1257 44.953,1258 115.517,1259 246.611,1260 330.759,1261 375.978,1262 387.488,1263 391.488,1264 83.697,1265 8.243,1266 61.88,1267 87.18,1268 29,1269 12.853,1270 4.322,1271 3.524,1272 58.905,1273 188,1274 192,1275 0.145,1276 282.876,1277 497.66,1278 681.977,1279 49573,1280 2.9,1281 26.485,1282 0.697,1283 0.616,1284 27.838,1285 23.404,1286 18.491,1287 0.44,1288 0.348,1289 12.934,1290 16.92,1291 12.54,1292 10.218,1293 19.477,1294 14.636,1295 16.495,1296 0.284,1297 0.202,1298 17.889,1299 11.733,1300 13.925,1301 0.181,1302 0.118,1303 15.378,1304 9.093,1305 11.765,1306 0.116,1307 0.071,1308 13.611,1309 7.16,1310 9.455,1311 0.076,1312 0.04,1313 10.749,1314 4.994,1315 0.231,1316 125.139,1317 0.188,1318 34.696,1319 0.393,1320 200,1321 564.097,1322 271.075,1323 619.447,1324 815.84,1325 580,1326 235,1327 516.664,1328 296.605,1329 553.8,1330 819.33,1331 523,1332 4.481}
{0 CHEMBL297761,1 1.552,2 15.854,3 2.929,4 8.58,5 162.433,6 7.276,7 0.378,8 4.448,9 4.568,10 4.023,11 4.007,12 5.467,13 3.959,14 5.03,15 5.205,16 4.386,17 4.424,18 6.01,19 4.338,20 5.314,21 5.53,22 4.426,23 4.577,24 6.252,25 4.452,26 5.36,27 5.593,28 4.399,29 4.56,30 6.297,31 4.418,32 5.375,33 5.625,34 4.454,35 4.506,36 6.462,37 4.377,38 5.306,39 5.545,40 4.344,41 4.463,42 6.314,43 4.344,44 5.281,45 5.502,46 4.358,47 4.443,48 6.395,49 4.347,50 5.254,51 5.462,52 4.39,53 4.447,54 6.441,55 4.338,56 0.031,57 1.143,58 17.608,59 7.759,60 9.401,61 10.114,62 0.424,63 1.929,64 36.966,65 13.267,66 37.777,67 17.481,68 0.637,69 2.367,70 52.437,71 18.249,72 68.081,73 23.761,74 0.498,75 2.423,76 54.473,77 19.032,78 73.881,79 25.358,80 0.876,81 2.399,82 57.83,83 18.739,84 137.184,85 25.228,86 0.595,87 2.259,88 53.527,89 17.309,90 82.765,91 22.651,92 0.691,93 2.169,94 50.556,95 16.305,96 99.955,97 20.949,98 0.667,99 2.116,100 49.147,101 17.103,102 126.737,103 21.667,104 10,105 60,106 0.236,107 0.522,108 0.712,109 0.831,110 0.872,111 0.88,112 3.741,113 1.021,114 -3.37,115 -3.35,116 -3.21,119 40.5,121 3,125 8,127 1,128 1,138 12,139 4,151 3,163 18,165 1,166 4,169 2,171 3,172 24,175 2,176 4,179 1,181 2,183 18,187 6,190 1,192 4,194 11,197 3,198 9,201 3,203 5,205 7,208 1,209 9,214 4,217 7,220 1,221 11,224 1,226 3,227 9,230 1,231 10,234 2,235 1,236 4,238 8,241 2,242 11,247 3,249 8,252 4242,253 28.189,254 28.189,255 28.189,256 28.189,257 28.189,258 25.736,259 28.86,260 17.229,261 28.772,262 22.287,263 22.287,264 22.287,265 22.287,266 22.287,267 18.546,268 32.743,269 8.278,270 23.183,271 4.752,272 2.881,273 1.63,274 0.848,275 0.582,276 0.532,277 4.448,283 1,284 1416,285 4.416,287 130.176,288 580.458,292 224.134,295 2.728,296 43.49,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 88,308 650,309 4.493,310 4.745,311 6.698,312 4.108,313 3.182,314 4.43,315 3.508,316 10.82,317 3.028,318 4.289,319 3.618,320 6.506,321 4.03,322 3.031,323 3.498,324 1.961,325 10.196,326 2.945,327 3.894,328 3.605,329 5.643,330 3.542,331 2.547,332 3.37,333 1.909,334 7.555,335 2.531,336 3.704,337 3.473,338 5.357,339 3.451,340 2.525,341 2.944,342 1.741,343 6.968,344 2.413,345 3.598,346 3.115,347 5.34,348 3.42,349 2.437,350 2.83,351 0.86,352 6.924,353 2.312,354 3.517,355 3.087,356 5.217,357 3.274,358 2.277,359 2.721,360 0.8,361 6.313,362 2.251,363 3.467,364 2.885,365 5.004,366 3.075,367 2.082,368 2.519,369 0.734,370 5.943,371 2.068,372 3.131,373 2.614,374 4.938,375 2.858,376 1.883,377 2.427,378 0.561,379 5.466,380 1.808,381 3.118,382 2.29,383 4.605,384 2.618,385 1.642,386 2.23,387 0.167,388 4.542,389 1.618,390 2.83,391 2.176,392 4.161,393 2.567,394 1.618,395 1.912,397 3.792,398 1.518,399 2.77,400 1.809,401 3.718,402 2.463,403 1.541,404 1.901,406 3.308,407 1.426,408 2.682,409 1.678,410 3.615,411 2.329,412 1.374,413 1.667,415 3.023,416 1.28,417 2.61,418 1.618,419 3.597,420 2.274,421 1.276,422 1.597,424 2.847,425 1.261,426 2.5,427 1.553,428 3.478,429 2.179,430 1.26,431 1.5,433 2.709,434 1.138,435 2.402,436 1.353,437 3.394,438 2,439 1.004,440 1.359,442 2.306,443 1,444 19.767,445 0.482,446 0.78,447 0.019,448 46.75,449 1.14,450 20.5,451 0.5,452 26.25,453 0.64,454 43.526,455 1.062,456 45.033,457 0.57,458 39.053,459 0.953,460 9.098,461 0.222,462 10.966,463 0.267,464 0.051,466 0.268,472 0.721,473 1.322,474 0.798,475 1.062,476 0.526,477 1.002,478 0.925,479 1.125,480 1.094,481 1.07,482 0.6,483 1.033,484 1.063,485 0.984,486 1.167,487 1.063,488 1.049,489 1.038,490 0.985,491 1.122,492 1.054,493 1.117,494 1.164,495 1.089,496 0.837,497 1.005,498 0.931,499 0.984,500 0.929,501 0.9,502 1.272,503 0.994,504 1.136,505 1.003,506 1.349,507 0.929,508 1.594,509 0.892,510 1.126,511 0.922,512 1.812,513 0.916,514 1.288,515 1.098,516 1.098,517 1.091,518 1.646,519 1.03,520 6.5,521 0.286,522 3.556,523 2.576,524 1.828,525 1.258,526 0.854,527 0.635,528 0.46,529 0.355,530 31698,531 75867,532 2.12,533 48.1,535 29,536 1,538 2,539 2,541 4,542 1.808,543 2.033,544 3.898,545 0.113,550 122.577,551 1.552,552 3.423,553 4.673,554 5.455,555 5.722,556 5.772,557 3.38,558 5.065,559 5.323,560 4.15,561 3402.72,562 9.423,563 63640.2,568 497.999,569 1.182,570 5.311,571 0.144,572 0.005,573 0.059,574 0.043,575 0.033,576 0.022,577 0.016,578 0.011,579 0.008,580 0.007,581 0.349,582 0.33,583 0.63,584 0.407,585 236.717,586 -0.021,587 -0.124,588 0.068,589 -0.007,590 -0.006,591 0.015,592 0.006,593 0.029,594 -0.052,595 -0.008,596 0.007,597 -0.046,598 -0.057,599 0.068,600 -0.092,601 -0.013,602 -0.09,603 -0.048,604 -0.042,605 -0.118,606 -0.022,607 -0.094,608 -0.07,609 -0.093,610 0.236,611 -0.018,612 0.162,613 0.032,614 0.233,615 0.08,616 -0.096,617 0.023,618 -0.022,619 0.019,620 -0.062,621 0.039,622 -0.166,623 0.123,624 -0.058,625 0.058,626 -0.107,627 0.027,628 0.044,629 -0.103,630 -0.007,631 -0.053,632 0.076,633 -0.055,634 1.856,635 6.489,636 0.659,637 61.863,638 0.998,639 1.124,640 2.141,641 4.584,642 0.664,643 3.829,644 4.111,645 4.357,646 4.605,647 4.804,648 4.787,649 4.92,650 4.997,651 5.075,652 5.106,653 9.514,654 0.621,655 574.81,656 3.829,657 5.352,658 6.184,659 7.041,660 7.892,661 8.757,662 9.617,663 10.487,664 11.353,665 12.227,666 5.1,669 1,673 3,680 2,681 12,686 2,688 17,703 79,705 20,706 3,707 45,709 83,710 32,711 16,712 4,713 12,717 5,718 6,724 1,727 4,729 19,730 13,733 3,737 3,741 3,747 38,748 8,749 2,750 9,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 41,810 11,811 2,812 1,813 1,814 2,815 2,825 5.1,828 3,829 1,832 20.167,833 13.65,834 9.139,835 4.836,836 2.675,837 1.323,838 0.97,839 10.705,840 10.957,841 4.052,842 4.543,843 5.019,844 5.514,845 6.007,846 6.09,847 6.419,848 6.718,849 7.011,850 6.78,851 0.909,852 60,853 15.366,854 6.596,855 7.699,856 29.707,857 24.78,859 2.199,860 90.167,864 423.76,865 200.988,866 42.27,868 86.435,870 32.22,871 168.769,872 510.194,873 42.27,875 68.568,876 113.715,877 100.549,878 14.641,879 11.771,880 444.208,882 423.76,883 211.039,884 86.435,885 32.22,887 376.675,888 122.519,889 11,891 71.693,892 139.346,894 32.22,895 423.76,896 128.705,897 200.988,900 423.76,901 87.273,902 119.964,903 36.022,904 86.435,905 423.76,906 128.705,907 200.988,909 0.568,910 0.326,911 0.18,912 0.1,913 26,914 11,915 0.145,916 12,917 1,918 1.074,919 5.243,920 394.117,921 0.074,922 27,923 209.66,924 1,928 29.591,929 14.832,930 8.326,931 2.228,932 128.705,933 24.093,938 2.13,940 36.022,941 753.453,942 56.5,946 39.318,950 -0.489,952 78.814,953 88.809,954 0.246,955 0.543,956 0.741,957 0.865,958 0.908,959 0.916,960 5.279,961 1.883,962 6.133,963 5.943,964 4.796,965 5.231,966 3.852,967 6.893,968 4.723,969 6.425,970 1.642,971 7.653,972 5.466,973 4.205,974 4.856,975 2.604,976 7.684,977 4.114,978 7.693,979 1.618,980 9.276,981 4.542,982 6.33,983 7.281,984 5.853,985 10.806,986 6.188,987 8.992,988 1.541,989 10.964,990 3.792,991 6.608,992 7.791,993 4.477,994 12.508,995 6.436,996 10.328,997 1.374,998 12.696,999 3.308,1000 8.153,1001 9.691,1002 8.229,1003 15.129,1004 7.938,1005 11.69,1006 1.276,1007 14.46,1008 3.023,1009 8.864,1010 10.661,1011 6.673,1012 17.215,1013 8.606,1014 13.073,1015 1.26,1016 16.249,1017 2.847,1018 10.161,1019 12.335,1020 10.695,1021 19.668,1022 9.865,1023 3.182,1024 1.004,1025 18.057,1026 2.709,1027 11.09,1028 13.554,1029 9.187,1030 21.917,1031 10.745,1032 3.031,1033 10.82,1034 19.879,1035 2.306,1036 12.282,1037 15.122,1038 13.184,1039 24.311,1040 11.898,1041 2.547,1042 10.196,1043 21.714,1044 4.43,1045 13.319,1046 16.473,1047 11.819,1048 26.626,1049 12.885,1050 2.525,1051 7.555,1052 23.559,1053 3.498,1054 14.471,1055 17.994,1056 15.68,1057 29.001,1058 13.995,1059 2.437,1060 6.968,1061 25.412,1062 3.37,1063 15.56,1064 19.413,1065 14.466,1066 31.344,1067 15.035,1068 2.277,1069 6.924,1070 27.272,1071 2.944,1072 16.699,1073 20.912,1074 18.178,1075 33.712,1076 16.13,1077 2.082,1078 6.313,1079 29.138,1080 2.83,1081 17.814,1082 22.365,1083 17.102,1084 36.068,1085 17.196,1086 29516,1087 45845,1088 30.8,1089 52.432,1090 66.389,1091 70.595,1092 66.978,1093 65.91,1094 65.881,1095 81.304,1096 24.482,1097 179.98,1098 63.5,1099 5.493,1100 6.745,1101 6.5,1102 5.245,1103 5.182,1104 7.43,1105 6.971,1106 17.908,1107 5.028,1108 14.838,1109 1.475,1110 1.569,1111 1.488,1112 1.465,1113 1.464,1114 1.807,1115 0.544,1116 4,1117 1.411,1118 4.097,1119 4.12,1120 4.091,1121 4.056,1122 7.435,1123 4.051,1124 3.96,1125 3.993,1126 4.03,1127 3.894,1128 7.427,1129 3.877,1130 3.837,1131 3.893,1132 3.798,1133 3.72,1134 7.422,1135 3.701,1136 3.802,1137 3.839,1138 3.707,1139 3.618,1140 4.899,1141 3.624,1142 3.643,1143 3.697,1144 3.555,1145 3.442,1146 4.752,1147 3.452,1148 3.553,1149 3.61,1150 3.493,1151 3.402,1152 4.627,1153 3.402,1154 3.448,1155 3.495,1156 3.345,1157 3.297,1158 4.348,1159 3.301,1160 3.333,1161 3.38,1162 3.242,1163 3.154,1164 4.225,1165 3.15,1166 0.1,1167 0.105,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.098,1173 4.745,1174 0.078,1175 6.698,1176 0.24,1177 4.108,1178 0.067,1179 3.182,1180 4.43,1181 3.508,1182 10.82,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.919,1191 1.89,1192 2.046,1193 2.008,1194 1.299,1195 2.021,1196 1.766,1197 1.701,1198 1.986,1199 1.996,1200 1.244,1201 1.999,1202 1.66,1203 1.626,1204 1.831,1205 1.884,1206 1.108,1207 1.866,1208 1.602,1209 1.551,1210 1.795,1211 1.823,1212 1.092,1213 1.819,1214 1.506,1215 1.466,1216 1.706,1217 1.705,1218 0.946,1219 1.713,1220 1.484,1221 1.425,1222 1.671,1223 1.615,1224 0.828,1225 1.646,1226 1.304,1227 1.255,1228 1.52,1229 1.483,1230 0.825,1231 1.512,1232 4.511,1233 5.802,1234 2.398,1235 7.281,1236 4.844,1237 8.847,1238 7.002,1239 10.461,1247 6.776,1248 5.989,1249 5.387,1250 1.48,1251 -0.731,1252 3.986,1257 49.087,1258 122.577,1259 270.411,1260 369.205,1261 430.979,1262 451.999,1263 455.999,1264 97.22,1265 8.281,1266 90.98,1267 116.28,1268 29,1269 12.77,1270 4.392,1271 3.644,1272 66.225,1273 226,1274 262,1275 0.133,1276 302.85,1277 536.29,1278 730.714,1279 55422,1281 28.443,1282 0.694,1283 0.588,1284 28.796,1285 24.113,1286 20.064,1287 0.446,1288 0.34,1289 14.269,1290 18.94,1291 13.919,1292 11.406,1293 20.472,1294 15.309,1295 17.466,1296 0.291,1297 0.198,1298 18.108,1299 11.897,1300 14.408,1301 0.187,1302 0.117,1303 15.215,1304 9.03,1305 11.945,1306 0.121,1307 0.069,1308 12.933,1309 6.877,1310 9.779,1311 0.081,1312 0.04,1313 10.642,1314 4.842,1315 0.214,1316 129.255,1317 0.18,1318 37.35,1319 0.35,1320 210,1321 585.759,1322 253.971,1323 578.126,1324 774.12,1325 544,1326 242,1327 525.265,1328 283.709,1329 541.755,1330 793.52,1331 512,1332 4}
{0 CHEMBL297854,1 1.656,2 12.8,3 5.235,4 27.401,5 145.149,6 8.29,7 0.447,8 4.235,9 4.347,10 3.926,11 3.862,12 5.288,13 3.798,14 4.795,15 4.966,16 4.341,17 4.29,18 5.805,19 4.192,20 5.058,21 5.242,22 4.454,23 4.461,24 6.061,25 4.33,26 5.184,27 5.406,28 4.56,29 4.465,30 6.192,31 4.312,32 5.118,33 5.338,34 4.362,35 4.395,36 6.183,37 4.254,38 5.139,39 5.363,40 4.415,41 4.364,42 6.215,43 4.231,44 5.062,45 5.261,46 4.366,47 4.349,48 6.178,49 4.225,50 5.102,51 5.308,52 4.363,53 4.33,54 6.266,55 4.185,56 0.013,57 0.883,58 12.054,59 6.046,60 7.272,61 7.758,62 0.29,63 1.52,64 28.354,65 10.784,66 25.958,67 13.638,68 0.293,69 1.822,70 41.566,71 15.346,72 49.572,73 18.786,74 0.632,75 2.014,76 60.374,77 17.666,78 74.897,79 21.282,80 0.483,81 1.921,82 45.923,83 16.544,84 81.877,85 20.611,86 0.66,87 1.877,88 55.519,89 16.279,90 83.918,91 19.728,92 0.372,93 1.709,94 42.517,95 14.867,96 71.643,97 18.075,98 0.765,99 1.774,100 55.6,101 16.458,102 113.855,103 18.787,104 41,105 53,106 0.264,107 0.564,108 0.756,109 0.849,110 0.878,111 0.888,112 3.588,113 1.052,114 -5.55,115 -5.42,116 -5.06,119 42.2,121 2,124 2,125 3,127 1,128 1,138 10,139 4,140 2,151 2,163 13,165 1,166 5,169 1,171 2,172 23,176 4,181 2,183 16,186 1,187 7,192 4,194 16,197 2,198 3,201 2,203 3,205 7,208 1,209 10,214 2,217 11,221 9,226 2,227 5,231 12,236 3,238 7,241 1,242 6,245 1,249 7,252 2455,253 23.344,254 23.344,255 23.344,256 23.344,257 23.344,258 20.993,259 23.395,260 13.807,261 23.971,262 18.748,263 18.748,264 18.748,265 18.748,266 18.748,267 15.171,268 26.626,269 6.559,270 19.856,271 4.344,272 2.461,273 1.254,274 0.672,275 0.492,276 0.43,277 4.281,279 2,284 957,285 4.123,287 105.234,288 333.518,292 180.533,295 1.897,296 34.868,299 0.5,300 0.83,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.72,307 74.167,308 448,309 4.493,310 4.787,311 6.869,312 4.183,313 3.26,314 4.43,315 3.784,316 11.431,317 3.028,318 4.427,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.998,327 4.101,328 3.525,329 6.202,330 3.737,331 2.792,332 3.373,333 1.864,334 9.024,335 2.619,336 3.676,337 3.284,338 5.479,339 3.385,340 2.408,341 2.943,342 0.896,343 6.982,344 2.341,345 3.509,346 3.104,347 5.22,348 3.149,349 2.226,350 2.831,351 0.8,352 6.307,353 2.083,354 3.456,355 3.015,356 5.086,357 3.105,358 2.174,359 2.725,360 0.561,361 6.005,362 2.036,363 3.233,364 2.654,365 4.853,366 3.03,367 2.062,368 2.427,370 5.313,371 1.882,372 3.118,373 2.573,374 4.666,375 2.728,376 1.811,377 2.235,379 5.115,380 1.618,381 2.999,382 2.29,383 4.613,384 2.618,385 1.618,386 2.095,388 4.485,389 1.618,390 2.815,391 1.919,392 4.162,393 2.457,394 1.601,395 1.904,397 3.794,398 1.286,399 2.769,400 1.68,401 4.001,402 2.275,403 1.276,404 1.844,406 3.13,407 1.275,408 2.563,409 1.618,410 3.6,411 2.126,412 1.181,413 1.518,415 2.848,416 1.086,417 2.404,418 1.353,419 3.512,420 2.063,421 1.098,422 1.363,424 2.459,425 1.039,426 2.166,427 1.238,428 3.373,429 1.976,430 0.988,431 1.13,433 2.254,434 0.969,435 1.77,436 1.063,437 3.078,438 1.476,439 0.512,440 0.61,442 1.204,443 0.49,444 17.629,445 0.504,446 0.929,447 0.027,448 41,449 1.171,450 19,451 0.543,452 22,453 0.629,454 37.757,455 1.079,456 37.571,457 0.587,458 32.401,459 0.926,460 7.811,461 0.223,462 9.019,463 0.258,464 0.176,466 0.329,472 0.626,473 1.266,474 0.623,475 0.905,476 0.525,477 0.908,478 0.756,479 0.986,480 0.809,481 0.876,482 0.542,483 0.858,484 1.016,485 1.125,486 0.989,487 1.079,488 1.056,489 1.054,490 1.065,491 0.995,492 0.896,493 0.987,494 1.192,495 0.944,496 0.757,497 1.124,498 0.855,499 1.065,500 0.852,501 0.995,502 1.19,503 0.969,504 0.966,505 0.992,506 1.313,507 0.927,508 1.422,509 1.042,510 0.956,511 0.954,512 1.633,513 0.987,514 1.456,515 1.051,516 1.285,517 1.197,518 1.7,519 1.047,520 7,521 0.283,522 4.222,523 3.014,524 2.029,525 1.369,526 0.855,527 0.759,528 0.445,529 0.365,530 18195,531 51025,532 2.041,533 45.3,535 23,536 1,538 1,539 2,541 2,542 1.77,543 1.892,544 3.628,545 -0.373,550 105.982,551 1.656,552 3.539,553 4.746,554 5.328,555 5.508,556 5.57,557 3.026,558 4.901,559 5.1,560 3.846,561 2288.43,562 8.971,563 36603.3,568 384,569 1.472,570 5.05,571 0.184,572 0.007,573 0.08,574 0.055,575 0.039,576 0.027,577 0.017,578 0.015,579 0.01,580 0.009,581 0.443,582 0.17,583 0.75,584 1.169,585 190.085,586 -0.018,587 -0.119,588 0.032,589 0.003,590 -0.023,591 0.012,592 0.023,593 0.169,594 0.026,595 0.107,596 0.04,597 0.077,598 -0.086,599 -0.085,600 -0.049,601 -0.066,602 -0.099,603 -0.084,604 0.019,605 0.023,606 0.124,607 0.051,608 -0.05,609 0.036,610 0.177,611 -0.103,612 0.029,613 -0.053,614 0.17,615 -0.017,616 0.025,617 0.039,618 0.041,619 0.01,620 0.009,621 0.037,622 -0.143,623 -0.067,624 -0.015,625 0.001,626 -0.092,627 -0.034,628 -0.027,629 -0.047,630 -0.111,631 -0.104,632 -0.031,633 -0.073,634 1.806,635 6.37,636 0.6,637 40.996,638 1.001,639 1.118,640 4.32,641 18.665,642 0.702,643 3.664,644 3.989,645 4.248,646 4.522,647 4.736,648 4.812,649 4.913,650 4.984,651 5.05,652 4.997,653 7.88,654 0.652,655 530.56,656 3.664,657 5.209,658 6.057,659 6.938,660 7.808,661 8.698,662 9.579,663 10.472,664 11.36,665 12.256,666 4.7,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 64,705 19,706 3,707 38,709 67,710 27,711 16,712 6,713 10,717 4,718 5,719 2,724 1,727 3,729 18,730 9,733 2,737 2,741 2,747 29,748 5,749 1,750 8,751 3,755 3,760 0.75,761 2,775 1,776 3,780 1,783 1,784 1,792 1,796 3,797 1,799 1,801 2,802 2,805 35,810 5,811 1,813 1,814 2,815 2,824 2,825 3.1,828 2,832 18.5,833 11.936,834 7.694,835 3.774,836 3.017,837 1.38,838 0.967,839 8.872,840 10.964,841 3.902,842 4.466,843 4.996,844 5.531,845 6.052,846 6.226,847 6.502,848 6.797,849 7.079,850 6.816,851 1,852 55,853 13.042,854 5.58,855 7.73,856 25.024,857 20.779,859 2.23,860 78.056,864 329.591,865 183.089,866 24.259,867 78.297,868 50.29,870 32.22,871 150.869,872 458.178,873 24.259,874 16.793,875 32.521,876 94.762,877 59.699,878 21.643,879 11.771,880 350.039,881 78.297,882 329.591,883 175.128,884 50.29,885 110.517,887 306.049,888 73.832,891 35.646,892 139.483,893 78.297,894 32.22,895 329.591,896 74.549,897 261.386,900 329.591,901 71.533,902 117.804,903 18.011,904 128.587,905 329.591,906 74.549,907 261.386,909 0.581,910 0.331,911 0.181,912 0.101,913 24,914 12,915 0.134,916 9,917 1,918 1.095,919 4.502,920 326.623,921 0.095,922 21,923 175.525,924 1,928 26.15,929 11.875,930 6.45,931 2.253,932 74.549,933 19.534,938 2.981,940 18.011,941 665.526,942 48.5,946 26.244,950 -0.162,952 64.054,953 71.535,954 0.276,955 0.59,956 0.791,957 0.888,958 0.918,959 0.928,960 5.149,961 1.811,962 6.047,963 5.313,964 4.673,965 5.153,966 3.774,967 6.864,968 4.563,969 6.341,970 1.618,971 7.611,972 5.115,973 4.29,974 4.966,975 2.668,976 7.794,977 4.086,978 7.64,979 1.601,980 9.278,981 4.485,982 6.267,983 7.302,984 6.037,985 10.915,986 6.068,987 8.973,988 1.276,989 11.005,990 3.794,991 6.698,992 7.94,993 5.115,994 12.709,995 6.411,996 10.339,997 1.181,998 12.774,999 3.13,1000 8.163,1001 9.79,1002 8.595,1003 15.36,1004 7.872,1005 11.73,1006 1.098,1007 14.572,1008 2.848,1009 8.98,1010 10.835,1011 7.878,1012 17.51,1013 8.608,1014 13.14,1015 0.988,1016 16.392,1017 2.459,1018 10.244,1019 12.478,1020 11.21,1021 20.002,1022 9.853,1023 3.26,1024 0.512,1025 18.229,1026 2.254,1027 11.243,1028 13.733,1029 10.71,1030 22.3,1031 10.779,1032 3.032,1033 11.431,1034 20.079,1035 1.204,1036 12.431,1037 15.281,1038 13.838,1039 24.737,1040 11.933,1041 2.792,1042 10.196,1043 21.94,1044 4.43,1045 13.514,1046 16.643,1047 13.529,1048 27.099,1049 12.949,1050 2.408,1051 9.024,1052 23.81,1053 3.947,1054 14.676,1055 18.148,1056 16.469,1057 29.519,1058 14.067,1059 2.226,1060 6.982,1061 25.686,1062 3.373,1063 15.798,1064 19.566,1065 16.321,1066 31.91,1067 15.126,1068 2.174,1069 6.307,1070 27.568,1071 2.943,1072 16.954,1073 21.052,1074 19.103,1075 34.327,1076 16.229,1077 2.062,1078 6.005,1079 29.455,1080 2.831,1081 18.096,1082 22.498,1083 19.093,1084 36.734,1085 17.309,1086 17466,1087 29464,1088 24.967,1089 44.949,1090 57.206,1091 61.33,1092 58.889,1093 56.992,1094 56.583,1095 71.343,1096 19.627,1097 162.282,1098 53.205,1099 5.464,1100 6.787,1101 6.558,1102 5.321,1103 5.26,1104 7.43,1105 7.434,1106 18.945,1107 5.028,1108 19.637,1109 1.505,1110 1.614,1111 1.55,1112 1.5,1113 1.489,1114 1.877,1115 0.517,1116 4.271,1117 1.4,1118 4.096,1119 4.118,1120 4.168,1121 4.056,1122 7.432,1123 4.051,1124 3.974,1125 3.995,1126 4.039,1127 3.928,1128 7.423,1129 3.907,1130 3.781,1131 3.819,1132 3.956,1133 3.679,1134 5.015,1135 3.661,1136 3.68,1137 3.744,1138 3.585,1139 3.495,1140 4.895,1141 3.492,1142 3.549,1143 3.605,1144 3.554,1145 3.424,1146 4.628,1147 3.413,1148 3.438,1149 3.491,1150 3.491,1151 3.26,1152 4.351,1153 3.271,1154 3.28,1155 3.356,1156 3.343,1157 3.107,1158 4.343,1159 3.092,1160 3.138,1161 3.192,1162 3.165,1163 3.024,1164 4.196,1165 3,1166 0.118,1167 0.126,1168 0.181,1169 0.11,1170 0.086,1171 4.493,1172 0.117,1173 4.787,1174 0.1,1175 6.869,1176 0.301,1177 4.183,1178 0.08,1179 3.26,1180 4.43,1181 3.784,1182 11.431,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.968,1193 1.974,1194 1.263,1195 1.984,1196 1.706,1197 1.647,1198 1.918,1199 1.905,1200 1.156,1201 1.921,1202 1.635,1203 1.588,1204 1.796,1205 1.838,1206 1.08,1207 1.831,1208 1.506,1209 1.465,1210 1.707,1211 1.692,1212 0.841,1213 1.696,1214 1.414,1215 1.336,1216 1.672,1217 1.606,1218 0.825,1219 1.637,1220 1.273,1221 1.222,1222 1.498,1223 1.47,1224 0.621,1225 1.487,1226 1.145,1227 1.091,1228 1.417,1229 1.337,1230 0.609,1231 1.364,1232 4.344,1233 5.666,1234 2.398,1235 7.175,1236 4.844,1237 8.777,1238 7.018,1239 10.43,1241 4.022,1242 12.599,1247 2.847,1248 3.012,1250 1.486,1251 -0.705,1252 3.947,1257 41.711,1258 105.982,1259 226.503,1260 303.761,1261 340.98,1262 352.49,1263 356.49,1264 83.53,1265 7.947,1266 52.65,1267 77.95,1268 23,1269 12.783,1270 4.322,1271 3.524,1272 59.365,1273 163,1274 155,1275 0.172,1276 267.088,1277 466.63,1278 643.455,1279 33903,1280 3.1,1281 24.949,1282 0.713,1283 0.633,1284 26.303,1285 22.167,1286 16.829,1287 0.443,1288 0.351,1289 11.649,1290 15.389,1291 11.147,1292 9.211,1293 17.815,1294 13.321,1295 15.384,1296 0.29,1297 0.209,1298 16.779,1299 11.082,1300 12.369,1301 0.179,1302 0.118,1303 13.823,1304 8.12,1305 10.409,1306 0.114,1307 0.071,1308 12.255,1309 6.427,1310 8.299,1311 0.073,1312 0.039,1313 9.593,1314 4.421,1315 0.272,1316 114.338,1317 0.2,1318 32.331,1319 0.465,1320 182,1321 502.361,1322 249.531,1323 569.597,1324 746.92,1325 530,1326 213,1327 470.323,1328 271.17,1329 513.247,1330 753.79,1331 481,1332 5.252}
{0 CHEMBL298035,1 1.73,2 15,3 3.665,4 13.429,5 155.145,6 8.132,7 0.286,8 4.373,9 4.487,10 4.033,11 3.931,12 5.414,13 3.882,14 4.959,15 5.131,16 4.436,17 4.35,18 5.982,19 4.265,20 5.244,21 5.451,22 4.527,23 4.517,24 6.244,25 4.394,26 5.298,27 5.518,28 4.633,29 4.528,30 6.332,31 4.386,32 5.298,33 5.529,34 4.515,35 4.462,36 6.465,37 4.347,38 5.269,39 5.492,40 4.529,41 4.449,42 6.374,43 4.329,44 5.23,45 5.443,46 4.508,47 4.406,48 6.407,49 4.307,50 5.16,51 5.344,52 4.501,53 4.377,54 6.461,55 4.278,56 0.068,57 1.045,58 14.5,59 7.017,60 10.375,61 8.88,62 0.486,63 1.739,64 33.924,65 12.291,66 41.362,67 15.581,68 0.795,69 2.097,70 52.17,71 17.012,72 83.982,73 21.223,74 0.801,75 2.161,76 65.506,77 18.755,78 92.437,79 23.215,80 0.991,81 2.12,82 55.851,83 17.816,84 147.306,85 22.889,86 0.873,87 2.006,88 59.949,89 17.551,90 111.262,91 21.793,92 0.936,93 1.946,94 55.755,95 16.42,96 115.287,97 19.798,98 1.047,99 1.815,100 52.302,101 15.616,102 156.855,103 18.546,104 37,105 57,106 0.27,107 0.565,108 0.775,109 0.863,110 0.874,111 0.874,112 3.693,113 1.06,114 -3.94,115 -3.9,116 -3.7,119 38.4,120 1,121 2,125 7,127 2,128 1,138 8,139 2,140 2,151 3,163 8,165 1,166 4,169 2,171 4,172 16,175 2,176 4,179 1,181 2,183 9,187 8,190 1,192 3,194 11,197 3,198 7,201 3,203 3,205 4,208 1,209 9,214 3,217 8,220 1,221 10,224 1,226 4,227 5,230 1,231 8,234 2,235 1,236 3,238 7,241 2,242 7,247 1,249 8,252 3759,253 26.12,254 26.12,255 26.12,256 26.12,257 26.12,258 24.174,259 31.638,260 15.732,261 26.941,262 20.744,263 20.744,264 20.744,265 20.744,266 20.744,267 17.745,268 37.251,269 7.54,270 22.133,271 4.46,272 2.569,273 1.219,274 0.661,275 0.586,276 0.586,277 4.383,279 2,283 1,284 1243,285 4.528,287 127.852,288 463.506,295 2.41,296 51.389,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 84.667,308 585,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.115,319 3.677,320 6.205,321 3.809,322 2.833,323 3.545,324 1.963,325 9.045,326 2.771,327 4.058,328 3.616,329 6.041,330 3.725,331 2.775,332 3.386,333 1.909,334 8.638,335 2.609,336 3.685,337 3.529,338 5.505,339 3.447,340 2.525,341 2.878,342 1.859,343 7.094,344 2.385,345 3.588,346 3.261,347 5.34,348 3.398,349 2.415,350 2.812,351 0.901,352 6.965,353 2.304,354 3.516,355 3.027,356 5.135,357 3.24,358 2.262,359 2.725,360 0.86,361 6.215,362 2.214,363 3.485,364 2.984,365 5.01,366 3.063,367 2.135,368 2.519,369 0.8,370 5.923,371 1.886,372 3.078,373 2.885,374 4.822,375 2.742,376 1.804,377 2.249,378 0.561,379 5.128,380 1.705,381 2.974,382 2.649,383 4.606,384 2.606,385 1.653,386 2.085,387 0.215,388 4.436,389 1.536,390 2.736,391 2.176,392 4.125,393 2.517,394 1.613,395 1.751,397 3.745,398 1.426,399 2.611,400 1.857,401 3.994,402 2.4,403 1.51,404 1.605,406 3.306,407 1.27,408 2.562,409 1.818,410 3.714,411 2.178,412 1.26,413 1.518,415 3.124,416 1.138,417 2.5,418 1.68,419 3.48,420 2.113,421 1.174,422 1.5,424 2.704,425 1.065,426 2.33,427 1.678,428 3.422,429 2,430 1.005,431 1.301,433 2.408,434 1,435 2.306,436 1.256,437 3.247,438 1.989,439 1,440 1.257,442 2.136,443 0.98,444 19.195,445 0.492,446 0.945,447 0.024,448 41.75,449 1.071,450 16.5,451 0.423,452 25.25,453 0.647,454 45.59,455 1.169,456 43.805,457 0.6,458 35.195,459 0.902,460 7.961,461 0.204,462 10.852,463 0.278,464 0.153,466 0.302,472 0.69,473 1.401,474 0.642,475 1.001,476 0.53,477 0.971,478 0.86,479 1.18,480 0.844,481 0.984,482 0.572,483 0.967,484 1.07,485 0.98,486 0.991,487 0.96,488 1.054,489 0.987,490 0.945,491 1.097,492 0.913,493 1.069,494 1.116,495 1.02,496 0.838,497 1.004,498 0.759,499 0.931,500 0.996,501 0.884,502 1.101,503 1.003,504 0.905,505 0.954,506 1.283,507 0.934,508 1.315,509 0.949,510 1.012,511 0.96,512 1.554,513 0.881,514 1.261,515 1.08,516 1.147,517 1.12,518 1.575,519 1.046,520 7.5,521 0.333,522 4,523 3.076,524 2.091,525 1.622,526 0.951,527 0.846,528 0.472,529 0.468,530 25269,531 72602,532 2.037,533 46.6,535 24,536 1,538 2,539 2,540 3,541 2,542 1.798,543 1.902,544 3.826,545 0.187,550 126.278,551 1.73,552 3.621,553 4.97,554 5.529,555 5.604,556 5.604,557 3.36,558 5.029,559 5.248,560 4.043,561 2996.12,562 9.284,563 52749,568 451.857,569 1.42,570 5.213,571 0.179,572 0.007,573 0.07,574 0.053,575 0.037,576 0.028,577 0.017,578 0.015,579 0.009,580 0.009,581 0.424,582 0.33,583 0.75,584 0.551,585 220.297,586 -0.039,587 -0.161,588 0.033,589 -0.02,590 -0.016,591 0.001,592 -0.009,593 -0.004,595 0.027,596 0.029,597 -0.009,598 -0.093,599 0.083,600 -0.042,601 0.045,602 -0.103,603 -0.017,604 -0.006,605 -0.071,606 0.101,607 -0.022,608 -0.042,609 -0.027,610 0.163,611 -0.008,612 0.116,613 0.049,614 0.191,615 0.089,616 -0.021,617 -0.018,618 0.072,619 0.033,620 -0.027,621 0.039,622 -0.08,623 0.071,624 0.01,625 0.056,626 -0.06,627 0.073,628 0.045,629 -0.055,630 -0.068,631 -0.084,632 0.083,633 -0.089,634 1.973,635 6.488,636 0.59,637 56.607,638 1.008,639 1.127,640 2.714,641 7.363,642 0.677,643 3.761,644 4.06,645 4.29,646 4.533,647 4.718,648 4.754,649 4.86,650 4.927,651 5.017,652 5.043,653 8.834,654 0.633,655 593.63,656 3.761,657 5.293,658 6.125,659 6.989,660 7.842,661 8.716,662 9.581,663 10.461,664 11.336,665 12.222,666 5.5,669 1,673 3,681 8,686 4,688 12,702 2,703 73,705 15,706 2,707 42,709 76,710 28,711 12,712 4,713 8,717 4,718 4,719 2,721 1,724 1,727 4,729 15,730 13,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 39,810 9,811 2,812 1,813 1,814 3,815 2,824 2,825 5.5,828 3,829 1,832 20.5,833 12.936,834 8.667,835 4.442,836 1.52,837 1.194,838 0.943,839 11.381,840 9.373,841 3.951,842 4.419,843 4.82,844 5.242,845 5.666,846 5.671,847 5.839,848 6.045,849 6.26,850 6.292,851 1,852 58,853 14.618,854 6.293,855 7.826,856 27.805,857 22.958,859 2.326,860 90.722,864 376.675,865 169.123,866 42.27,867 78.297,868 86.435,870 32.22,871 136.904,872 541.407,873 42.27,874 8.825,875 63.928,876 75.81,877 100.549,878 16.497,879 11.771,880 397.124,881 78.297,882 376.675,883 179.174,884 86.435,885 110.517,887 317.82,888 134.29,889 11,891 75.878,892 103.296,893 78.297,894 32.22,895 376.675,896 128.705,897 247.421,900 376.675,901 84.488,902 90.884,903 36.022,904 164.732,905 376.675,906 128.705,907 247.421,909 0.575,910 0.328,911 0.177,912 0.096,913 24,914 12,915 0.145,916 11,918 1,919 4.907,920 368.166,922 23,923 198.131,924 1,928 30.16,929 14.717,930 8.589,932 128.705,933 14.737,938 2.55,940 36.022,941 752.801,942 51,946 39.237,950 -0.738,952 73.578,953 82.282,954 0.279,955 0.585,956 0.803,957 0.893,958 0.905,959 0.905,960 5.198,961 1.804,962 6.098,963 5.923,964 4.745,965 5.106,966 3.944,967 6.878,968 4.621,969 6.35,970 1.653,971 7.639,972 5.128,973 4.29,974 4.796,975 2.909,976 7.724,977 4.084,978 7.622,979 1.613,980 9.281,981 4.436,982 6.304,983 7.074,984 6.086,985 10.844,986 6.071,987 8.922,988 1.51,989 10.986,990 3.745,991 6.673,992 7.548,993 5.238,994 12.572,995 6.354,996 10.256,997 1.26,998 12.733,999 3.306,1000 8.157,1001 9.346,1002 8.608,1003 15.221,1004 7.805,1005 11.611,1006 1.174,1007 14.51,1008 3.124,1009 8.923,1010 10.19,1011 7.914,1012 17.338,1013 8.48,1014 12.986,1015 1.005,1016 16.31,1017 2.704,1018 10.192,1019 11.788,1020 11.213,1021 19.832,1022 9.704,1023 3.266,1024 1,1025 18.129,1026 2.408,1027 11.157,1028 12.831,1029 10.72,1030 22.122,1031 10.575,1032 2.833,1033 11.459,1034 19.963,1035 2.136,1036 12.342,1037 14.327,1038 13.839,1039 24.567,1040 11.702,1041 2.775,1042 9.045,1043 21.809,1044 3.947,1045 13.405,1046 15.488,1047 13.531,1048 26.936,1049 12.671,1050 2.525,1051 8.638,1052 23.666,1053 3.545,1054 14.564,1055 16.927,1056 16.47,1057 29.368,1058 13.76,1059 2.415,1060 7.094,1061 25.533,1062 3.386,1063 15.676,1064 18.161,1065 16.323,1066 31.772,1067 14.78,1068 2.262,1069 6.965,1070 27.407,1071 2.878,1072 16.83,1073 19.567,1074 19.103,1075 34.203,1076 15.857,1077 2.135,1078 6.215,1079 29.287,1080 2.812,1081 17.969,1082 20.847,1083 19.094,1084 36.623,1085 16.904,1086 24205,1087 41303,1088 27.739,1089 49.387,1090 62.539,1091 66.778,1092 63.868,1093 62.285,1094 61.896,1095 73.749,1096 25.703,1097 172.346,1098 57.841,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.974,1107 5.009,1108 20.669,1109 1.489,1110 1.59,1111 1.521,1112 1.483,1113 1.474,1114 1.756,1115 0.612,1116 4.103,1117 1.377,1118 3.998,1119 4.026,1120 4.167,1121 3.939,1122 7.435,1123 3.92,1124 3.92,1125 3.95,1126 3.961,1127 3.861,1128 7.427,1129 3.853,1130 3.829,1131 3.89,1132 3.854,1133 3.674,1134 7.422,1135 3.661,1136 3.764,1137 3.791,1138 3.707,1139 3.616,1140 5.014,1141 3.618,1142 3.636,1143 3.689,1144 3.582,1145 3.417,1146 4.76,1147 3.436,1148 3.52,1149 3.579,1150 3.549,1151 3.335,1152 4.629,1153 3.335,1154 3.369,1155 3.427,1156 3.461,1157 3.195,1158 4.627,1159 3.189,1160 3.226,1161 3.272,1162 3.245,1163 3.054,1164 4.237,1165 3.044,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.924,1185 1.894,1186 2.054,1187 2.022,1188 1.299,1189 2.034,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.205,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.173,1201 1.97,1202 1.653,1203 1.619,1204 1.826,1205 1.862,1206 1.1,1207 1.852,1208 1.584,1209 1.53,1210 1.793,1211 1.805,1212 1.082,1213 1.806,1214 1.453,1215 1.392,1216 1.697,1217 1.679,1218 0.869,1219 1.685,1220 1.399,1221 1.342,1222 1.625,1223 1.581,1224 0.827,1225 1.616,1226 1.153,1227 1.092,1228 1.513,1229 1.39,1230 0.825,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.231,1236 4.844,1237 8.799,1238 7.018,1239 10.414,1241 1.906,1242 12.594,1247 5.353,1248 5.908,1249 5.369,1250 1.33,1251 -1.342,1252 3.818,1257 46.216,1258 126.278,1259 264.308,1260 362.838,1261 403.593,1262 409.102,1263 409.102,1264 114.858,1265 7.853,1266 90.98,1267 116.28,1268 23,1269 12.757,1270 4,1271 3.322,1272 70.137,1273 195,1274 242,1275 0.163,1276 294.395,1277 526.05,1278 710.083,1279 29590,1280 2.7,1281 27.777,1282 0.712,1283 0.621,1284 29.131,1285 24.235,1286 18.813,1287 0.448,1288 0.353,1289 13.1,1290 17.104,1291 12.676,1292 10.368,1293 19.798,1294 14.834,1295 16.823,1296 0.295,1297 0.207,1298 18.218,1299 11.802,1300 13.484,1301 0.187,1302 0.123,1303 14.938,1304 8.828,1305 11.123,1306 0.121,1307 0.073,1308 12.959,1309 6.751,1310 8.593,1311 0.077,1312 0.041,1313 9.907,1314 4.53,1315 0.259,1316 128.053,1317 0.19,1318 35.652,1319 0.438,1320 198,1321 606.165,1322 273.343,1323 652.525,1324 844.48,1325 608,1326 228,1327 524.272,1328 293.181,1329 557.625,1330 819.03,1331 525,1332 4.921}
{0 CHEMBL298193,1 1.834,2 15.792,3 4.751,4 22.575,5 169.515,6 8.497,7 0.327,8 4.516,9 4.623,10 4.19,11 4.032,12 5.666,13 4.03,14 5.129,15 5.287,16 4.674,17 4.452,18 6.757,19 4.428,20 5.359,21 5.55,22 4.685,23 4.624,24 6.536,25 4.563,26 5.479,27 5.689,28 4.732,29 4.64,30 6.705,31 4.578,32 5.499,33 5.718,34 4.839,35 4.582,36 6.846,37 4.549,38 5.471,39 5.68,40 4.805,41 4.519,42 7.168,43 4.504,44 5.434,45 5.639,46 4.756,47 4.484,48 6.921,49 4.474,50 5.358,51 5.535,52 4.732,53 4.482,54 6.915,55 4.47,56 0.337,57 1.624,58 13.827,59 8.307,60 62.099,61 8.98,62 1.917,63 3.263,64 36.28,65 14.224,66 294.643,67 15.792,68 1.342,69 2.985,70 47.868,71 18.865,72 164.9,73 21.956,74 1.746,75 3.379,76 59.347,77 21.071,78 268.306,79 23.788,80 2.132,81 3.492,82 66.742,83 20.839,84 306.488,85 23.801,86 3.14,87 4.232,88 60.27,89 19.327,90 549.871,91 21.825,92 2.486,93 3.07,94 61.666,95 18.226,96 377.306,97 19.276,98 2.129,99 2.999,100 50.291,101 17.764,102 367.158,103 18.983,104 86,105 75,106 0.278,107 0.561,108 0.741,109 0.841,110 0.878,111 0.886,112 3.895,113 0.94,114 -4.9,115 -4.81,116 -4.51,119 40.2,121 2,125 8,127 1,128 1,131 2,138 10,139 6,151 3,163 17,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 17,187 6,190 1,192 4,194 10,197 3,198 9,201 3,203 5,205 7,208 1,209 9,214 5,217 6,220 1,221 11,224 1,226 4,227 8,230 1,231 8,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 6392,253 31.426,254 31.426,255 31.426,256 31.426,257 31.426,258 29.102,259 36.16,260 18.426,261 32.496,262 25.7,263 25.7,264 25.7,265 25.7,266 25.7,267 21.947,268 42.5,269 8.797,270 27.544,271 4.524,272 2.653,273 1.46,274 0.802,275 0.555,276 0.506,277 4.589,283 1,284 1623,285 5.612,287 151.312,288 683.7,292 268.145,295 2.533,296 111.169,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 111,308 758,309 4.647,310 4.791,311 7.324,312 4.368,313 3.466,314 4.43,315 3.825,316 12.644,317 3.165,318 4.493,319 4.485,320 7.09,321 4.13,322 3.268,323 4.147,324 3.825,325 11.609,326 3.028,327 4.354,328 4.441,329 6.775,330 4.038,331 3.153,332 3.535,333 3.784,334 10.985,335 2.901,336 4.242,337 3.648,338 6.506,339 4.027,340 3.031,341 3.377,342 1.963,343 10.196,344 2.716,345 3.732,346 3.615,347 5.97,348 3.485,349 2.526,350 2.949,351 1.909,352 8.259,353 2.429,354 3.656,355 3.502,356 5.422,357 3.441,358 2.518,359 2.851,360 1.859,361 6.968,362 2.318,363 3.578,364 3.18,365 5.34,366 3.353,367 2.389,368 2.822,369 0.901,370 6.919,371 2.266,372 3.517,373 3.101,374 5.216,375 3.243,376 2.254,377 2.698,378 0.86,379 6.312,380 2.167,381 3.459,382 2.885,383 4.992,384 3.058,385 2.058,386 2.519,387 0.8,388 5.879,389 2.05,390 3.118,391 2.467,392 4.907,393 2.725,394 1.798,395 2.427,396 0.561,397 5.372,398 1.624,399 3.064,400 2.29,401 4.677,402 2.618,403 1.649,404 2.166,405 0.215,406 4.769,407 1.618,408 2.772,409 2.176,410 4.466,411 2.566,412 1.618,413 1.904,415 3.848,416 1.499,417 2.745,418 1.852,419 4.161,420 2.458,421 1.55,422 1.75,424 3.79,425 1.386,426 2.612,427 1.791,428 3.999,429 2.275,430 1.276,431 1.625,433 3.308,434 1.274,435 2.596,436 1.678,437 3.715,438 2.179,439 1.26,440 1.602,442 2.968,443 1.138,444 21.981,445 0.458,446 1.536,447 0.032,448 51.75,449 1.078,450 20.5,451 0.427,452 31.25,453 0.651,454 56.533,455 1.178,456 55.419,457 0.676,458 56.126,459 1.169,460 10.432,461 0.217,462 12.375,463 0.258,464 0.123,465 0.045,466 0.287,469 6,472 0.589,473 1.031,474 0.659,475 1.071,476 0.557,477 0.977,478 0.518,479 0.736,480 0.886,481 0.994,482 0.382,483 0.977,484 0.663,485 0.821,486 0.923,487 1.043,488 0.611,489 1.038,490 0.899,491 1.002,492 1.049,493 1.125,494 0.918,495 1.072,496 0.82,497 0.998,498 0.903,499 1.104,500 0.886,501 0.943,502 0.771,503 0.844,504 0.883,505 0.992,506 0.796,507 0.947,508 1.099,509 0.877,510 1.034,511 0.93,512 1.178,513 0.873,514 0.969,515 1.011,516 1.025,517 1.099,518 1.087,519 1.035,520 11.5,521 0.538,522 6,523 3.951,524 3.033,525 2.699,526 1.545,527 1.102,528 0.915,529 0.617,530 42891,531 145536,532 2.018,533 41.5,535 27,536 1,538 2,539 2,541 2,542 1.849,543 1.858,544 3.87,545 0.168,550 150.371,551 1.834,552 3.704,553 4.897,554 5.555,555 5.803,556 5.851,557 3.379,558 5.137,559 5.549,560 4.145,561 4675.51,562 9.901,563 94376.4,568 521.319,569 1.654,570 5.491,571 0.221,572 0.008,573 0.08,574 0.051,575 0.04,576 0.034,577 0.02,578 0.015,579 0.012,580 0.008,581 0.489,582 0.17,583 0.63,584 0.76,585 286.039,586 -0.038,587 -0.077,588 0.036,589 -0.007,590 -0.051,591 0.014,592 0.3,593 0.281,594 0.044,595 0.07,596 0.354,597 -0.01,598 -0.025,599 -0.049,600 0.005,601 -0.012,602 0.001,603 -0.015,604 -0.092,605 -0.119,606 -0.021,607 -0.075,608 -0.077,609 -0.051,610 0.067,611 -0.1,612 0.192,613 -0.059,614 0.012,615 0.068,616 0.279,617 0.152,618 0.143,619 -0.008,620 0.298,621 0.024,622 -0.041,623 0.046,624 0.051,625 0.068,626 -0.047,627 0.079,628 0.045,629 -0.071,630 -0.004,631 -0.073,632 0.031,633 -0.073,634 6.443,635 6.598,636 0.563,637 75.729,638 1.034,639 1.15,640 3.674,641 13.497,642 0.656,643 3.97,644 4.331,645 4.554,646 4.812,647 5.063,648 5.165,649 5.293,650 5.38,651 5.447,652 5.505,653 9.66,654 0.645,655 696.78,656 3.97,657 5.541,658 6.385,659 7.28,660 8.149,661 9.049,662 9.931,663 10.836,664 11.726,665 12.635,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,703 82,705 20,706 3,707 52,709 86,710 33,711 16,712 6,713 10,717 5,718 6,721 2,724 1,726 2,727 3,729 19,730 14,733 3,737 3,741 3,745 6,747 34,748 14,749 2,750 15,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,803 6,805 48,810 10,811 2,812 1,813 1,814 2,815 2,816 2,824 6,825 4.9,828 3,829 1,832 25.833,833 14.34,834 10.278,835 4.863,836 2.909,837 1.335,838 0.969,839 11.633,840 11.59,841 4.167,842 4.71,843 5.197,844 5.714,845 6.244,846 6.468,847 6.788,848 7.01,849 7.276,850 7.141,851 0.909,852 77,853 20.449,854 11.104,855 8.385,856 32.936,857 27.59,859 2.885,860 138.5,864 376.675,865 201.391,866 42.27,868 86.435,869 89.761,870 32.22,871 169.172,872 463.11,873 132.031,875 66.034,876 94.762,877 100.549,878 110.773,879 11.771,880 397.124,881 15.519,882 376.675,883 211.442,884 176.195,885 32.22,887 353.133,888 188.738,889 11,891 84.677,892 126.765,894 32.22,895 466.436,896 128.705,897 201.391,900 392.194,901 91.11,902 101.011,903 36.022,904 176.195,905 376.675,906 218.465,907 201.391,909 0.592,910 0.329,911 0.172,912 0.1,913 34,914 17,915 0.128,916 11,917 1,918 1.074,919 5.409,920 512.061,921 0.074,922 27,923 250.568,924 1,928 36.006,929 15.508,930 9.249,931 1.872,932 218.465,933 14.336,938 -2.856,940 36.022,941 796.532,942 63.5,946 39.556,950 -1.954,952 84.774,953 94.263,954 0.288,955 0.583,956 0.77,957 0.874,958 0.913,959 0.92,960 5.452,961 2.254,962 6.422,963 6.919,964 5.017,965 5.398,966 4.514,967 7.287,968 4.889,969 6.66,970 2.058,971 8.025,972 6.312,973 4.844,974 5.316,975 4.749,976 8.506,977 4.553,978 7.982,979 1.798,980 9.743,981 5.879,982 6.718,983 7.522,984 6.791,985 11.542,986 6.442,987 9.339,988 1.649,989 11.533,990 5.372,991 7.34,992 8.233,993 7.492,994 13.561,995 6.894,996 10.73,997 1.618,998 13.368,999 4.769,1000 8.759,1001 10.001,1002 9.375,1003 16.209,1004 8.301,1005 12.145,1006 1.55,1007 15.234,1008 3.848,1009 9.716,1010 11.086,1011 10.19,1012 18.517,1013 9.108,1014 13.579,1015 1.276,1016 17.122,1017 3.79,1018 10.98,1019 12.683,1020 12.019,1021 21.053,1022 10.328,1023 3.466,1024 1.26,1025 19.028,1026 3.308,1027 12.078,1028 13.956,1029 12.889,1030 23.471,1031 11.301,1032 3.268,1033 12.644,1034 20.945,1035 2.968,1036 13.294,1037 15.478,1038 14.676,1039 25.975,1040 12.45,1041 3.153,1042 11.609,1043 22.872,1044 4.43,1045 14.451,1046 16.846,1047 15.588,1048 28.439,1049 13.499,1050 3.031,1051 10.985,1052 24.807,1053 4.147,1054 15.654,1055 18.337,1056 17.337,1057 30.937,1058 14.624,1059 2.526,1060 10.196,1061 26.748,1062 3.535,1063 16.839,1064 19.755,1065 18.286,1066 33.423,1067 15.711,1068 2.518,1069 8.259,1070 28.694,1071 3.377,1072 18.041,1073 21.232,1074 20,1075 35.924,1076 16.83,1077 2.389,1078 6.968,1079 30.645,1080 2.949,1081 19.24,1082 22.676,1083 20.982,1084 38.422,1085 17.935,1086 40762,1087 75737,1088 33.69,1089 53.819,1090 79.636,1091 81.503,1092 79.98,1093 79.142,1094 78.661,1095 94.484,1096 41.004,1097 233.167,1098 73.538,1099 5.647,1100 6.791,1101 7.126,1102 5.51,1103 5.466,1104 7.43,1105 7.475,1106 20.594,1107 5.165,1108 28.987,1109 1.531,1110 1.567,1111 1.538,1112 1.522,1113 1.513,1114 1.817,1115 0.789,1116 4.484,1117 1.414,1118 4.1,1119 4.123,1120 4.124,1121 4.058,1122 8.518,1123 4.052,1124 4.012,1125 4.035,1126 4.034,1127 3.945,1128 8.509,1129 3.938,1130 3.838,1131 3.897,1132 3.864,1133 3.688,1134 7.999,1135 3.678,1136 3.794,1137 3.828,1138 3.708,1139 3.617,1140 7.999,1141 3.622,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 7.999,1147 3.45,1148 3.548,1149 3.602,1150 3.501,1151 3.402,1152 7.999,1153 3.401,1154 3.452,1155 3.495,1156 3.463,1157 3.283,1158 7.435,1159 3.293,1160 3.421,1161 3.462,1162 3.343,1163 3.153,1164 7.427,1165 3.183,1166 0.089,1167 0.092,1168 0.141,1169 0.084,1170 0.067,1171 4.647,1172 0.085,1173 4.791,1174 0.074,1175 7.324,1176 0.243,1177 4.368,1178 0.061,1179 3.466,1180 4.43,1181 3.825,1182 12.644,1183 3.165,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.938,1191 1.92,1192 2.004,1193 2.033,1194 1.299,1195 2.023,1196 1.766,1197 1.701,1198 1.985,1199 2,1200 1.222,1201 1.999,1202 1.659,1203 1.626,1204 1.828,1205 1.879,1206 1.108,1207 1.861,1208 1.59,1209 1.536,1210 1.795,1211 1.822,1212 1.091,1213 1.817,1214 1.506,1215 1.465,1216 1.693,1217 1.69,1218 0.893,1219 1.69,1220 1.443,1221 1.389,1222 1.639,1223 1.61,1224 0.826,1225 1.635,1226 1.279,1227 1.233,1228 1.513,1229 1.533,1230 0.825,1231 1.485,1232 4.654,1233 6.004,1234 2.398,1235 7.533,1236 4.844,1237 9.146,1238 7.018,1239 10.808,1243 82.638,1247 3.29,1248 5.425,1249 5.307,1250 0.701,1251 -2.647,1252 3.063,1253 -10.232,1257 52.914,1258 150.371,1259 303.754,1260 401.571,1261 455.545,1262 475.809,1263 479.809,1264 190.518,1265 8.682,1266 90.98,1267 116.28,1268 29,1269 13.155,1270 4.392,1271 3.644,1272 84.302,1273 264,1274 332,1275 0.144,1276 319.632,1277 590.01,1278 771.661,1279 84041,1280 7.3,1281 34.476,1282 0.718,1283 0.552,1284 29.83,1285 26.519,1286 22.808,1287 0.439,1288 0.313,1289 15.105,1290 21.107,1291 14.87,1292 12.063,1293 20.793,1294 16.297,1295 22.142,1296 0.295,1297 0.171,1298 18.805,1299 12.805,1300 16.752,1301 0.178,1302 0.103,1303 15.868,1304 9.668,1305 13.707,1306 0.112,1307 0.059,1308 13.609,1309 7.254,1310 11.45,1311 0.073,1312 0.033,1313 11.074,1314 5.183,1315 0.228,1316 150.219,1317 0.172,1318 41.682,1319 0.392,1320 254,1321 1150.43,1322 332.006,1323 950.958,1324 1210.18,1325 880,1326 296,1327 792.265,1328 360.498,1329 770.498,1330 1174.69,1331 723,1332 4}
{0 CHEMBL298230,1 1.714,2 15.762,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.475,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.036,19 4.353,20 5.283,21 5.481,22 4.601,23 4.601,24 6.29,25 4.484,26 5.337,27 5.549,28 4.684,29 4.6,30 6.367,31 4.463,32 5.329,33 5.558,34 4.563,35 4.519,36 6.474,37 4.404,38 5.296,39 5.516,40 4.552,41 4.479,42 6.411,43 4.367,44 5.25,45 5.459,46 4.54,47 4.431,48 6.449,49 4.346,50 5.185,51 5.364,52 4.563,53 4.434,54 6.485,55 4.334,56 0.066,57 1.081,58 14.293,59 7.216,60 10.286,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 40.214,67 15.831,68 0.759,69 2.234,70 52.079,71 18.103,72 81.065,73 22.149,74 0.795,75 2.321,76 65.71,77 19.751,78 93.322,79 24.036,80 0.929,81 2.282,82 56.166,83 18.737,84 136.65,85 23.947,86 0.869,87 2.129,88 60.903,89 18.08,90 107.756,91 22.065,92 0.952,93 2.02,94 52.888,95 16.276,96 120.644,97 19.439,98 0.997,99 1.903,100 51.727,101 16.493,102 153.72,103 19.183,104 26,105 63,106 0.263,107 0.559,108 0.754,109 0.863,110 0.886,111 0.894,112 3.765,113 1.03,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 23,175 2,176 4,179 1,181 2,183 16,187 7,190 1,192 4,194 14,197 3,198 7,201 3,203 5,205 5,208 1,209 10,214 4,217 8,220 1,221 10,224 1,226 4,227 7,230 1,231 9,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 4460,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 30.676,260 17.084,261 29.296,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 34.804,269 8.163,270 24.105,271 4.534,272 2.606,273 1.335,274 0.625,275 0.474,276 0.421,277 4.468,279 2,283 1,284 1437,285 4.416,287 131.506,288 587.815,292 229.217,295 2.751,296 52.275,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 662,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.454,340 2.525,341 2.947,342 1.859,343 7.123,344 2.406,345 3.604,346 3.259,347 5.34,348 3.423,349 2.45,350 2.839,351 0.901,352 6.965,353 2.31,354 3.517,355 3.104,356 5.22,357 3.275,358 2.288,359 2.812,360 0.86,361 6.316,362 2.247,363 3.508,364 3.001,365 5.132,366 3.103,367 2.174,368 2.695,369 0.8,370 6.215,371 2.065,372 3.45,373 2.885,374 4.983,375 3.028,376 2.047,377 2.519,378 0.561,379 5.815,380 1.878,381 3.118,382 2.649,383 4.805,384 2.65,385 1.747,386 2.427,387 0.215,388 5.047,389 1.618,390 2.979,391 2.29,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.55,399 2.771,400 2.176,401 4.162,402 2.519,403 1.614,404 1.904,406 3.792,407 1.436,408 2.74,409 1.819,410 3.999,411 2.41,412 1.528,413 1.755,415 3.309,416 1.279,417 2.611,418 1.68,419 3.715,420 2.275,421 1.276,422 1.605,424 3.125,425 1.268,426 2.563,427 1.678,428 3.599,429 2.179,430 1.26,431 1.518,433 2.847,434 1.138,435 2.402,436 1.618,437 3.478,438 2.114,439 1.174,440 1.358,442 2.704,443 1.065,444 20.695,445 0.493,446 0.959,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.225,455 1.124,456 45.905,457 0.604,458 40.772,459 0.971,460 9.219,461 0.219,462 11.166,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.519,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.58,483 0.946,484 1.036,485 0.97,486 0.984,487 0.965,488 1.043,489 0.985,490 0.955,491 1.101,492 0.935,493 1.077,494 1.135,495 1.041,496 0.754,497 1.046,498 0.759,499 0.96,500 0.848,501 0.906,502 1.141,503 1.022,504 0.944,505 0.983,506 1.298,507 0.945,508 1.419,509 0.878,510 0.934,511 0.849,512 1.701,513 0.849,514 1.224,515 1.075,516 1.117,517 1.113,518 1.581,519 1.039,520 7.5,521 0.373,522 4.444,523 3.076,524 2.295,525 1.595,526 1.011,527 0.808,528 0.501,529 0.417,530 32589,531 91410,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.88,545 0.149,550 130.289,551 1.714,552 3.642,553 4.913,554 5.623,555 5.774,556 5.827,557 3.378,558 5.202,559 5.357,560 4.133,561 3558.59,562 9.495,563 66632.5,568 474.842,569 1.351,570 5.33,571 0.163,572 0.007,573 0.071,574 0.047,575 0.038,576 0.026,577 0.017,578 0.014,579 0.009,580 0.008,581 0.398,582 0.17,583 0.63,584 0.494,585 243.066,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.012,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.017,597 -0.007,598 -0.078,599 0.077,600 -0.041,601 0.041,602 -0.097,603 -0.013,604 -0.016,605 -0.077,606 0.077,607 -0.034,608 -0.061,609 -0.049,610 0.194,611 -0.043,612 0.124,613 0.023,614 0.221,615 0.075,616 -0.027,617 -0.029,618 0.049,619 0.001,620 -0.021,621 0.024,622 -0.1,623 0.126,624 0.033,625 0.104,626 -0.076,627 0.086,628 0.08,629 -0.071,630 -0.032,631 -0.074,632 0.095,633 -0.078,634 1.983,635 6.581,636 0.643,637 63.075,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.419,646 4.682,647 4.898,648 4.934,649 5.037,650 5.112,651 5.198,652 5.193,653 9.412,654 0.648,655 629.66,656 3.85,657 5.389,658 6.232,659 7.104,660 7.967,661 8.847,662 9.72,663 10.606,664 11.486,665 12.375,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.278,835 4.595,836 2.774,837 1.331,838 0.971,839 11.046,840 11.147,841 4.069,842 4.595,843 5.092,844 5.604,845 6.114,846 6.272,847 6.549,848 6.844,849 7.132,850 6.892,851 0.909,852 65,853 15.729,854 6.833,855 7.791,856 30.012,857 25.071,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.576,910 0.333,911 0.183,912 0.102,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.199,920 415.688,921 0.074,922 27,923 220.477,924 1,928 31.111,929 14.912,930 8.2,931 2.176,932 128.705,933 19.096,938 2.569,940 36.022,941 770.18,942 57.5,946 39.52,950 -0.744,952 76.578,953 85.282,954 0.274,955 0.583,956 0.786,957 0.9,958 0.924,959 0.933,960 5.314,961 2.047,962 6.205,963 6.215,964 4.844,965 5.283,966 3.944,967 6.999,968 4.734,969 6.484,970 1.747,971 7.751,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.771,979 1.618,980 9.4,981 5.047,982 6.415,983 7.382,984 6.086,985 11,986 6.215,987 9.091,988 1.614,989 11.112,990 4.404,991 6.781,992 7.996,993 5.238,994 12.76,995 6.514,996 10.446,997 1.528,998 12.867,999 3.792,1000 8.281,1001 9.834,1002 8.608,1003 15.409,1004 7.99,1005 11.826,1006 1.276,1007 14.653,1008 3.309,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.696,1014 13.226,1015 1.26,1016 16.462,1017 3.125,1018 10.333,1019 12.501,1020 11.213,1021 20.033,1022 9.942,1023 3.266,1024 1.174,1025 18.289,1026 2.847,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.849,1032 3.032,1033 11.459,1034 20.131,1035 2.704,1036 12.497,1037 15.292,1038 13.839,1039 24.762,1040 12,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.005,1050 2.525,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.119,1059 2.45,1060 7.123,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.171,1068 2.288,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.272,1077 2.174,1078 6.316,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.348,1086 30514,1087 51389,1088 30.917,1089 52.387,1090 68.47,1091 73.248,1092 69.911,1093 68.39,1094 68.013,1095 83.823,1096 25.703,1097 191.3,1098 63.98,1099 5.493,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 19.779,1109 1.488,1110 1.592,1111 1.52,1112 1.487,1113 1.479,1114 1.822,1115 0.559,1116 4.159,1117 1.391,1118 4.097,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.976,1125 3.997,1126 4.039,1127 3.928,1128 7.427,1129 3.907,1130 3.83,1131 3.89,1132 3.958,1133 3.678,1134 7.422,1135 3.665,1136 3.77,1137 3.797,1138 3.708,1139 3.616,1140 5.015,1141 3.619,1142 3.643,1143 3.697,1144 3.585,1145 3.439,1146 4.896,1147 3.449,1148 3.54,1149 3.593,1150 3.553,1151 3.402,1152 4.629,1153 3.4,1154 3.442,1155 3.49,1156 3.484,1157 3.276,1158 4.627,1159 3.283,1160 3.322,1161 3.368,1162 3.342,1163 3.145,1164 4.348,1165 3.141,1166 0.098,1167 0.104,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.875,1176 0.249,1177 4.19,1178 0.066,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.659,1203 1.626,1204 1.826,1205 1.868,1206 1.107,1207 1.858,1208 1.587,1209 1.533,1210 1.795,1211 1.82,1212 1.087,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.681,1218 0.87,1219 1.684,1220 1.434,1221 1.379,1222 1.634,1223 1.605,1224 0.825,1225 1.631,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.483,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1242 12.645,1247 5.681,1248 5.912,1249 5.379,1250 1.331,1251 -1.166,1252 3.824,1257 49.216,1258 130.289,1259 276.787,1260 373.359,1261 427.333,1262 438.842,1263 442.842,1264 109.395,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.907,1270 4.392,1271 3.644,1272 68.709,1273 228,1274 272,1275 0.137,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.385,1287 0.443,1288 0.343,1289 14.061,1290 18.676,1291 13.656,1292 11.141,1293 21.371,1294 15.797,1295 18.189,1296 0.289,1297 0.199,1298 19.584,1299 12.517,1300 15.009,1301 0.183,1302 0.116,1303 16.462,1304 9.506,1305 12.543,1306 0.117,1307 0.069,1308 14.379,1309 7.339,1310 10.173,1311 0.076,1312 0.038,1313 11.495,1314 5.062,1315 0.219,1316 137.534,1317 0.18,1318 37.887,1319 0.365,1320 218,1321 650.165,1322 293.01,1323 698.196,1324 912.88,1325 652,1326 254,1327 577.99,1328 319.014,1329 614.077,1330 904.51,1331 579,1332 6.161}
{0 CHEMBL298454,1 1.659,2 15.762,3 5.425,4 29.431,5 170.243,6 8.047,7 0.37,8 4.436,9 4.552,10 4.094,11 4.04,12 5.462,13 3.982,14 5.019,15 5.19,16 4.5,17 4.475,18 6.019,19 4.378,20 5.329,21 5.542,22 4.6,23 4.639,24 6.294,25 4.508,26 5.38,27 5.604,28 4.683,29 4.622,30 6.382,31 4.477,32 5.334,33 5.565,34 4.561,35 4.537,36 6.467,37 4.416,38 5.318,39 5.546,40 4.55,41 4.505,42 6.411,43 4.383,44 5.273,45 5.49,46 4.537,47 4.456,48 6.445,49 4.361,50 5.213,51 5.403,52 4.562,53 4.455,54 6.491,55 4.348,56 0.028,57 1.108,58 15.431,59 7.472,60 7.959,61 9.638,62 0.351,63 1.903,64 34.819,65 13.433,66 34.102,67 17.389,68 0.563,69 2.355,70 55.518,71 19.343,72 73.884,73 24.478,74 0.74,75 2.416,76 69.636,77 20.56,78 89.517,79 25.479,80 0.796,81 2.317,82 56.356,83 18.979,84 129.579,85 24.546,86 0.732,87 2.194,88 62.467,89 18.702,90 101.199,91 23.283,92 0.764,93 2.086,94 54.616,95 16.882,96 112.398,97 20.638,98 0.926,99 1.971,100 54.164,101 16.95,102 150.887,103 20.184,104 26,105 63,106 0.253,107 0.537,108 0.729,109 0.852,110 0.886,111 0.893,112 3.765,113 1.058,114 -5.29,115 -5.18,116 -4.84,119 41,121 5,125 6,127 1,128 1,138 10,139 4,140 2,151 3,163 15,165 1,166 6,169 2,171 3,172 24,175 1,176 5,179 1,181 2,183 16,187 7,190 1,192 4,194 16,197 3,198 6,201 3,203 5,205 6,208 1,209 10,214 6,217 8,220 1,221 10,226 5,227 7,230 1,231 11,234 2,235 1,236 3,238 8,241 1,242 12,247 1,249 9,252 4460,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 29.9,260 17.084,261 29.137,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 33.263,269 8.163,270 23.883,271 4.627,272 2.769,273 1.516,274 0.705,275 0.487,276 0.436,277 4.468,279 2,283 1,284 1437,285 4.416,287 131.506,288 587.815,292 229.217,295 2.751,296 48.984,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 89.667,308 662,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.461,340 2.525,341 2.947,342 1.859,343 7.123,344 2.407,345 3.604,346 3.259,347 5.34,348 3.428,349 2.45,350 2.839,351 0.901,352 6.965,353 2.341,354 3.517,355 3.104,356 5.22,357 3.276,358 2.288,359 2.812,360 0.8,361 6.316,362 2.25,363 3.508,364 3.001,365 5.132,366 3.103,367 2.174,368 2.695,369 0.561,370 6.215,371 2.065,372 3.45,373 2.83,374 4.983,375 3.028,376 2.047,377 2.519,378 0.215,379 5.815,380 1.878,381 3.118,382 2.649,383 4.805,384 2.659,385 1.747,386 2.427,388 5.047,389 1.618,390 2.979,391 2.29,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.604,399 2.771,400 1.822,401 4.162,402 2.568,403 1.614,404 1.904,406 3.792,407 1.486,408 2.74,409 1.748,410 3.999,411 2.421,412 1.528,413 1.755,415 3.309,416 1.281,417 2.611,418 1.68,419 3.715,420 2.275,421 1.276,422 1.605,424 3.125,425 1.273,426 2.563,427 1.618,428 3.599,429 2.237,430 1.26,431 1.518,433 2.847,434 1.221,435 2.402,436 1.493,437 3.478,438 2.114,439 1.174,440 1.358,442 2.704,443 1.066,444 20.862,445 0.497,446 0.959,447 0.023,448 47.25,449 1.125,450 20.5,451 0.488,452 26.75,453 0.637,454 48.672,455 1.159,456 45.738,457 0.586,458 39.325,459 0.936,460 8.721,461 0.208,462 11.664,463 0.278,464 0.116,466 0.302,472 0.638,473 1.284,474 0.644,475 0.937,476 0.5,477 0.929,478 0.685,479 1.144,480 0.836,481 0.998,482 0.517,483 0.987,484 0.985,485 1.002,486 0.942,487 0.978,488 0.987,489 0.98,490 1.062,491 1.046,492 0.917,493 1.021,494 1.13,495 0.984,496 0.768,497 1.064,498 0.763,499 0.976,500 0.854,501 0.915,502 1.185,503 1.02,504 0.93,505 0.98,506 1.293,507 0.935,508 1.522,509 0.908,510 0.919,511 0.861,512 1.704,513 0.847,514 1.333,515 1.043,516 1.104,517 1.078,518 1.589,519 1.004,520 7.5,521 0.373,522 4.444,523 3.076,524 2.295,525 1.595,526 1.011,527 0.808,528 0.501,529 0.417,530 32589,531 83890,532 2.088,533 46.2,534 2,535 23,536 1,538 2,539 2,540 4,541 2,542 1.814,543 1.969,544 3.88,545 0.125,550 129.389,551 1.659,552 3.516,553 4.77,554 5.58,555 5.798,556 5.85,557 3.378,558 5.202,559 5.357,560 4.133,561 3558.59,562 9.495,563 66632.5,568 490.261,569 1.351,570 5.33,571 0.163,572 0.007,573 0.071,574 0.047,575 0.038,576 0.026,577 0.017,578 0.014,579 0.009,580 0.008,581 0.398,582 0.17,583 0.63,584 0.494,585 243.066,586 -0.029,587 -0.096,588 0.033,589 0.014,590 -0.002,591 0.023,592 0.056,593 0.016,594 -0.004,595 -0.001,596 0.049,597 -0.03,598 -0.048,599 0.035,600 -0.004,601 0.024,602 -0.065,603 -0.002,604 -0.008,605 -0.029,606 0.1,607 0.01,608 -0.049,609 -0.003,610 0.247,611 -0.055,612 0.12,613 0.006,614 0.239,615 0.057,616 0.01,617 -0.029,618 0.063,619 0.001,620 0.001,621 0.029,622 -0.091,623 0.095,624 0.05,625 0.09,626 -0.055,627 0.086,628 0.122,629 -0.037,630 -0.012,631 -0.048,632 0.118,633 -0.05,634 1.971,635 6.593,636 0.643,637 63.075,638 1.002,639 1.122,640 4.062,641 16.501,642 0.688,643 3.85,644 4.159,645 4.419,646 4.682,647 4.898,648 4.934,649 5.037,650 5.112,651 5.198,652 5.193,653 9.412,654 0.641,655 627.69,656 3.85,657 5.389,658 6.232,659 7.104,660 7.967,661 8.847,662 9.72,663 10.606,664 11.486,665 12.375,666 5.1,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 78,705 20,706 3,707 46,709 82,710 32,711 16,712 6,713 10,717 5,718 6,719 2,724 4,727 6,729 19,730 13,733 3,737 3,741 3,747 36,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 2,784 1,792 1,796 4,797 1,799 1,802 2,805 42,810 11,811 2,813 1,814 2,815 2,824 2,825 3.8,828 3,832 21.333,833 13.602,834 9.278,835 4.928,836 2.774,837 1.331,838 0.975,839 11.079,840 11.147,841 4.069,842 4.595,843 5.092,844 5.604,845 6.114,846 6.272,847 6.549,848 6.844,849 7.132,850 6.892,851 0.909,852 65,853 15.748,854 6.847,855 7.743,856 30.294,857 25.532,859 2.243,860 94.222,864 400.217,865 184.921,866 42.27,867 78.297,868 75.435,870 32.22,871 152.702,872 553.95,873 42.27,875 64.453,876 94.762,877 89.549,878 21.643,879 11.771,880 420.666,881 78.297,882 400.217,883 194.972,884 75.435,885 110.517,887 329.591,888 146.061,891 67.577,892 127.395,893 78.297,894 32.22,895 400.217,896 117.705,897 263.218,900 400.217,901 90.159,902 101.011,903 36.022,904 153.732,905 400.217,906 117.705,907 263.218,909 0.576,910 0.333,911 0.183,912 0.102,913 28,914 13,915 0.134,916 11,917 1,918 1.074,919 5.199,920 415.688,921 0.074,922 27,923 218.477,924 1,928 31.149,929 14.938,930 8.218,931 2.186,932 117.705,933 19.157,938 2.605,940 36.022,941 781.141,942 57.5,946 39.56,950 -0.697,952 78.134,953 87.488,954 0.264,955 0.559,956 0.759,957 0.888,958 0.922,959 0.931,960 5.314,961 2.047,962 6.205,963 6.215,964 4.844,965 5.283,966 3.915,967 6.999,968 4.747,969 6.484,970 1.747,971 7.751,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.771,979 1.618,980 9.4,981 5.047,982 6.415,983 7.382,984 6.084,985 11,986 6.231,987 9.091,988 1.614,989 11.112,990 4.404,991 6.781,992 7.996,993 5.238,994 12.76,995 6.514,996 10.446,997 1.528,998 12.867,999 3.792,1000 8.281,1001 9.834,1002 8.608,1003 15.409,1004 8.003,1005 11.826,1006 1.276,1007 14.653,1008 3.309,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.697,1014 13.226,1015 1.26,1016 16.462,1017 3.125,1018 10.333,1019 12.501,1020 11.213,1021 20.033,1022 9.952,1023 3.266,1024 1.174,1025 18.289,1026 2.847,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.852,1032 3.032,1033 11.459,1034 20.131,1035 2.704,1036 12.497,1037 15.292,1038 13.839,1039 24.762,1040 12.007,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.008,1050 2.525,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.123,1059 2.45,1060 7.123,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.173,1068 2.288,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.275,1077 2.174,1078 6.316,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.35,1086 30514,1087 49373,1088 30.917,1089 53.694,1090 68.47,1091 73.124,1092 69.911,1093 68.419,1094 68.013,1095 83.823,1096 23.983,1097 191.3,1098 64.523,1099 5.493,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 19.779,1109 1.488,1110 1.59,1111 1.52,1112 1.487,1113 1.479,1114 1.822,1115 0.521,1116 4.159,1117 1.403,1118 4.098,1119 4.121,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.977,1125 4,1126 4.04,1127 3.928,1128 7.427,1129 3.908,1130 3.864,1131 3.929,1132 3.958,1133 3.709,1134 7.422,1135 3.705,1136 3.774,1137 3.801,1138 3.733,1139 3.67,1140 5.015,1141 3.651,1142 3.655,1143 3.713,1144 3.585,1145 3.464,1146 4.896,1147 3.47,1148 3.549,1149 3.604,1150 3.561,1151 3.425,1152 4.628,1153 3.414,1154 3.45,1155 3.497,1156 3.487,1157 3.291,1158 4.357,1159 3.3,1160 3.338,1161 3.387,1162 3.343,1163 3.16,1164 4.347,1165 3.158,1166 0.098,1167 0.104,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.875,1176 0.249,1177 4.19,1178 0.066,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.419,1189 2.147,1190 1.896,1191 1.882,1192 2.065,1193 2.032,1194 1.325,1195 2.047,1196 1.839,1197 1.773,1198 1.945,1199 1.963,1200 1.19,1201 1.973,1202 1.666,1203 1.629,1204 1.874,1205 1.875,1206 1.171,1207 1.872,1208 1.62,1209 1.563,1210 1.799,1211 1.828,1212 1.1,1213 1.827,1214 1.511,1215 1.468,1216 1.694,1217 1.694,1218 0.874,1219 1.698,1220 1.454,1221 1.402,1222 1.642,1223 1.609,1224 0.825,1225 1.635,1226 1.273,1227 1.223,1228 1.513,1229 1.48,1230 0.825,1231 1.486,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1242 12.661,1247 8.632,1248 5.951,1250 1.343,1251 -1.14,1252 3.965,1257 50.028,1258 129.389,1259 274.274,1260 372.023,1261 435.242,1262 452.261,1263 456.261,1264 109.534,1265 8.373,1266 81.75,1267 107.05,1268 29,1269 12.907,1270 4.392,1271 3.644,1272 68.709,1273 228,1274 272,1275 0.137,1276 315.52,1277 557.92,1278 761.628,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.615,1284 30.83,1285 25.818,1286 20.385,1287 0.443,1288 0.353,1289 14.523,1290 18.821,1291 14.096,1292 11.56,1293 21.371,1294 16.22,1295 18.189,1296 0.289,1297 0.206,1298 19.584,1299 12.965,1300 15.009,1301 0.183,1302 0.12,1303 16.462,1304 9.851,1305 12.543,1306 0.117,1307 0.072,1308 14.379,1309 7.697,1310 10.173,1311 0.076,1312 0.041,1313 11.495,1314 5.396,1315 0.219,1316 136.534,1317 0.18,1318 37.887,1319 0.365,1320 218,1321 606.43,1322 290.132,1323 665.211,1324 873.52,1325 620,1326 254,1327 558.354,1328 316.246,1329 596.455,1330 878.03,1331 563,1332 6.699}
{0 CHEMBL317860,1 1.468,2 18.348,3 5.565,4 30.964,5 179.019,6 6.987,7 0.431,8 4.57,9 4.696,10 4.085,11 4.102,12 5.593,13 4.071,14 5.151,15 5.333,16 4.446,17 4.526,18 6.146,19 4.462,20 5.454,21 5.681,22 4.509,23 4.693,24 6.354,25 4.596,26 5.578,27 5.812,28 4.476,29 4.707,30 6.56,31 4.596,32 5.605,33 5.856,34 4.503,35 4.698,36 6.536,37 4.591,38 5.602,39 5.853,40 4.562,41 4.705,42 6.597,43 4.611,44 5.578,45 5.823,46 4.542,47 4.725,48 6.585,49 4.624,50 5.574,51 5.816,52 4.449,53 4.745,54 6.505,55 4.618,56 0.045,57 1.295,58 19.636,59 8.302,60 11.718,61 11.359,62 0.628,63 2.161,64 37.83,65 13.969,66 48.146,67 19.848,68 0.43,69 2.704,70 52.814,71 19.213,72 55.624,73 27.475,74 0.814,75 2.87,76 61.942,77 21.041,78 127.861,79 29.555,80 0.762,81 2.902,82 64.449,83 21.63,84 103.454,85 30.603,86 0.877,87 2.95,88 64.258,89 20.756,90 113.765,91 29.945,92 0.84,93 2.928,94 62.052,95 20.677,96 113.649,97 29.683,98 0.599,99 2.899,100 60.965,101 21.939,102 97.032,103 31.083,104 18,105 70,106 0.217,107 0.523,108 0.71,109 0.812,110 0.858,111 0.868,112 3.853,113 0.965,114 -4.21,115 -4.15,116 -3.92,119 41.6,120 1,121 4,122 1,125 6,127 2,138 14,139 4,147 1,148 1,151 1,152 2,163 20,165 5,166 8,169 2,171 4,172 22,176 7,179 1,181 4,183 15,186 2,187 18,192 3,194 10,197 1,198 16,202 1,203 3,205 5,208 2,209 16,212 2,214 4,217 8,220 2,221 15,224 2,226 3,227 15,231 11,236 2,238 18,241 1,242 12,247 4,249 15,252 5532,253 31.714,254 31.714,255 31.714,256 31.714,257 31.714,258 28.714,259 35.389,260 18.866,261 32.246,262 25.114,263 25.114,264 25.114,265 25.114,266 25.114,267 20.586,268 44.327,269 8.877,270 25.875,271 5.008,272 2.944,273 1.68,274 0.992,275 0.683,276 0.615,277 4.564,283 1,284 1859,285 4.637,287 279.922,288 717.643,291 237.65,295 2.698,296 45.095,299 0.75,300 0.33,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.62,307 98.5,308 844,309 4.533,310 4.018,311 6.677,312 4.158,313 3.187,314 4.474,315 2.224,316 10.703,317 3.096,318 4.309,319 3.801,320 6.518,321 4.018,322 3.037,323 3.577,324 2.035,325 10.226,326 2.971,327 4.084,328 3.335,329 6.441,330 3.922,331 2.984,332 3.473,333 1.597,334 9.883,335 2.801,336 4.051,337 3.132,338 6.128,339 3.799,340 2.804,341 3.451,342 0.869,343 9.004,344 2.78,345 3.886,346 3.074,347 5.474,348 3.516,349 2.538,350 3.189,351 0.8,352 7.064,353 2.492,354 3.54,355 2.907,356 5.391,357 3.392,358 2.452,359 2.779,360 0.501,361 6.939,362 2.288,363 3.466,364 2.769,365 5.334,366 3.16,367 2.177,368 2.576,369 0.495,370 6.843,371 2.134,372 3.27,373 2.567,374 5.062,375 2.941,376 1.971,377 2.416,379 5.605,380 1.908,381 3.206,382 2.356,383 4.98,384 2.856,385 1.864,386 2.352,388 5.584,389 1.846,390 3.089,391 2.016,392 4.669,393 2.807,394 1.802,395 2.318,397 4.761,398 1.784,399 3.046,400 1.855,401 4.43,402 2.522,403 1.547,404 2.153,406 4.244,407 1.503,408 2.905,409 1.746,410 4.164,411 2.509,412 1.538,413 2.035,415 3.713,416 1.486,417 2.791,418 1.646,419 3.899,420 2.488,421 1.501,422 1.831,424 3.23,425 1.477,426 2.613,427 1.546,428 3.591,429 2.204,430 1.225,431 1.654,433 2.79,434 1.197,435 2.5,436 1.53,437 3.587,438 2.144,439 1.163,440 1.5,442 2.757,443 1.137,444 21.833,445 0.475,446 0.934,447 0.02,448 54.5,449 1.185,450 24.5,451 0.533,452 30,453 0.652,454 50.099,455 1.089,456 50.167,457 0.564,458 47.845,459 1.04,460 10.726,461 0.233,462 11.77,463 0.256,464 0.069,466 0.307,472 0.737,473 1.398,474 0.836,475 1.149,476 0.533,477 1.023,478 0.685,479 1.097,480 0.971,481 1.02,482 0.514,483 1.024,484 0.884,485 1.109,486 0.991,487 1.09,488 0.78,489 1.051,490 1.345,491 1.051,492 1.147,493 1.061,494 1.268,495 1.075,496 1.321,497 1,498 0.998,499 0.954,500 1.228,501 0.941,502 1.239,503 0.982,504 0.953,505 0.894,506 1.267,507 0.885,508 1.17,509 0.943,510 1.011,511 0.922,512 1.332,513 0.936,514 1.093,515 1.019,516 1.09,517 1.054,518 1.187,519 1.068,520 7.5,521 0.312,522 5.333,523 3.181,524 1.667,525 1.757,526 1.215,527 0.792,528 0.508,529 0.413,530 44177,531 103322,532 2.13,533 48.3,535 28,536 1,538 2,540 8,541 4,542 1.832,543 2.029,544 4.066,545 0.062,550 130.651,551 1.468,552 3.532,553 4.795,554 5.484,555 5.793,556 5.861,557 3.559,558 5.176,559 5.492,560 4.314,561 4464.49,562 9.74,563 90117.8,568 576.34,569 1.265,570 5.471,571 0.147,572 0.006,573 0.076,574 0.044,575 0.025,576 0.025,577 0.016,578 0.011,579 0.008,580 0.007,581 0.366,582 0.33,583 0.63,584 0.547,585 274.874,586 -0.014,587 -0.176,588 0.063,589 -0.051,590 -0.006,591 0.005,592 0.22,593 0.061,594 -0.02,595 -0.001,596 0.086,597 -0.039,598 -0.014,599 -0.06,600 -0.025,601 -0.087,602 -0.001,603 -0.057,604 -0.097,605 -0.06,606 -0.132,607 -0.088,608 -0.034,609 -0.11,610 -0.083,611 -0.042,612 0.026,613 0.01,614 -0.054,615 0.026,616 -0.01,617 0.006,618 0.074,619 0.054,620 0.013,621 0.07,622 -0.028,623 0.067,625 0.039,626 -0.014,627 0.027,628 -0.114,629 -0.029,630 -0.106,631 -0.059,632 -0.084,633 -0.076,634 1.99,635 6.541,636 0.696,637 71.512,638 0.996,639 1.126,640 2.979,641 8.873,642 0.655,643 3.951,644 4.263,645 4.554,646 4.796,647 4.97,648 5.011,649 5.187,650 5.318,651 5.394,652 5.517,653 10.444,654 0.618,655 621.85,656 3.951,657 5.493,658 6.347,659 7.217,660 8.085,661 8.96,662 9.834,663 10.713,664 11.59,665 12.472,666 5.6,669 1,673 3,674 1,680 2,681 15,683 1,686 3,688 22,703 89,705 25,706 3,707 51,709 94,710 37,711 20,712 4,713 14,717 6,718 7,720 1,721 1,724 4,727 6,729 23,730 14,731 1,733 3,737 3,741 3,747 43,748 8,749 2,750 9,755 5,758 1,760 0.833,761 4,772 1,775 2,776 4,779 1,792 1,793 1,796 5,801 1,805 46,810 10,811 1,812 1,814 3,815 3,825 4.5,828 3,830 1,832 22.667,833 15.767,834 10.222,835 5.689,836 2.685,837 1.307,838 0.983,839 10.615,840 11.432,841 4.19,842 4.712,843 5.229,844 5.721,845 6.13,846 6.216,847 6.564,848 6.877,849 6.887,850 7.12,851 1,852 72,853 17.211,854 7.439,855 7.67,856 33.328,857 28.099,859 2.17,860 99.833,864 482.615,865 205.816,866 44.169,868 86.435,871 205.816,872 569.05,873 44.169,874 8.825,875 49.518,876 141.715,877 80.139,878 43.039,879 24.954,880 470.844,882 482.615,883 249.985,884 86.435,887 341.362,888 227.688,891 78.253,892 171.732,895 482.615,896 130.604,897 205.816,900 482.615,901 55.276,902 159.913,903 34.796,904 86.435,905 482.615,906 130.604,907 205.816,909 0.576,910 0.345,911 0.187,912 0.096,913 32,914 14,915 0.138,916 13,917 1,918 1.063,919 5.559,920 476.472,921 0.063,922 32,923 242.084,928 32.148,929 15.189,930 7.784,931 2.088,932 113.818,933 29.85,935 3.262,938 3.12,940 34.796,941 819.035,942 65,946 39.556,950 -0.753,952 88.607,953 100.218,954 0.227,955 0.545,956 0.741,957 0.847,958 0.895,959 0.905,960 5.432,961 1.971,962 6.315,963 6.843,964 4.949,965 5.4,966 3.179,967 7.114,968 4.891,969 6.595,970 1.864,971 7.866,972 5.605,973 4.443,974 5.037,975 2.59,976 7.995,977 4.354,978 7.875,979 1.802,980 9.519,981 5.584,982 6.529,983 7.474,984 4.228,985 11.1,986 6.408,987 9.189,988 1.547,989 11.234,990 4.761,991 6.899,992 7.999,993 4.296,994 12.844,995 6.742,996 10.538,997 1.538,998 12.99,999 4.244,1000 8.406,1001 9.894,1002 5.542,1003 15.444,1004 8.222,1005 11.913,1006 1.501,1007 14.773,1008 3.713,1009 9.177,1010 10.867,1011 5.913,1012 17.532,1013 8.957,1014 13.307,1015 1.225,1016 16.577,1017 3.23,1018 10.451,1019 12.532,1020 6.962,1021 19.961,1022 10.205,1023 3.187,1024 1.163,1025 18.396,1026 2.79,1027 11.411,1028 13.749,1029 7.497,1030 22.191,1031 11.13,1032 3.037,1033 10.703,1034 20.226,1035 2.757,1036 12.589,1037 15.309,1038 8.439,1039 24.561,1040 12.282,1041 2.984,1042 10.226,1043 22.065,1044 4.474,1045 13.637,1046 16.658,1047 9.07,1048 26.851,1049 13.297,1050 2.804,1051 9.883,1052 23.911,1053 3.577,1054 14.778,1055 18.174,1056 9.949,1057 29.2,1058 14.411,1059 2.538,1060 9.004,1061 25.763,1062 3.473,1063 15.867,1064 19.593,1065 10.639,1066 31.517,1067 15.469,1068 2.452,1069 7.064,1070 27.619,1071 3.451,1072 16.996,1073 21.093,1074 11.482,1075 33.86,1076 16.57,1077 2.177,1078 6.939,1079 29.48,1080 3.189,1081 18.105,1082 22.549,1083 12.208,1084 36.191,1085 17.649,1086 40740,1087 62503,1088 34.789,1089 58.313,1090 76.717,1091 78.445,1092 77.914,1093 75.762,1094 75.762,1095 94.734,1096 17.04,1097 214.159,1098 73.717,1099 5.533,1100 6.018,1101 6.479,1102 5.233,1103 5.187,1104 7.474,1105 3.973,1106 17.77,1107 5.096,1108 19.062,1109 1.504,1110 1.538,1111 1.528,1112 1.486,1113 1.486,1114 1.858,1115 0.334,1116 4.199,1117 1.445,1118 4.139,1119 4.174,1120 4.091,1121 4.052,1122 7.447,1123 4.057,1124 3.988,1125 4.032,1126 3.911,1127 3.9,1128 7.432,1129 3.895,1130 3.913,1131 3.947,1132 3.84,1133 3.843,1134 7.409,1135 3.836,1136 3.865,1137 3.915,1138 3.768,1139 3.722,1140 4.971,1141 3.724,1142 3.815,1143 3.854,1144 3.76,1145 3.615,1146 4.78,1147 3.645,1148 3.615,1149 3.679,1150 3.51,1151 3.435,1152 4.747,1153 3.434,1154 3.482,1155 3.544,1156 3.353,1157 3.323,1158 4.41,1159 3.326,1160 3.407,1161 3.464,1162 3.291,1163 3.258,1164 4.318,1165 3.26,1166 0.089,1167 0.079,1168 0.131,1169 0.082,1170 0.062,1171 4.533,1172 0.088,1173 4.018,1174 0.044,1175 6.677,1176 0.21,1177 4.158,1178 0.061,1179 3.187,1180 4.474,1181 2.224,1182 10.703,1183 3.096,1184 1.948,1185 1.919,1186 2.092,1187 2.071,1188 1.444,1189 2.08,1190 1.94,1191 1.914,1192 2.039,1193 2.019,1194 1.339,1195 2.026,1196 1.905,1197 1.877,1198 2.037,1199 2.013,1200 1.235,1201 2.023,1202 1.845,1203 1.786,1204 2.028,1205 1.985,1206 1.133,1207 2.001,1208 1.672,1209 1.626,1210 1.843,1211 1.852,1212 1.035,1213 1.848,1214 1.607,1215 1.549,1216 1.827,1217 1.81,1218 1.021,1219 1.817,1220 1.505,1221 1.434,1222 1.78,1223 1.748,1224 0.966,1225 1.746,1226 1.343,1227 1.289,1228 1.551,1229 1.591,1230 0.825,1231 1.582,1232 4.635,1233 5.948,1234 3.045,1235 7.452,1236 5.476,1237 9.036,1238 7.6,1239 10.661,1241 2.001,1247 6.86,1248 2.938,1249 5.632,1251 -0.418,1252 5.697,1257 54.975,1258 130.651,1259 314.348,1260 426.798,1261 488.076,1262 515.585,1263 521.585,1264 102.574,1265 8.747,1266 97.98,1267 97.98,1268 34,1269 13.007,1270 4.7,1271 3.907,1272 70.857,1273 282,1274 322,1275 0.115,1276 333.227,1277 586.74,1278 804.834,1279 98399,1281 31.882,1282 0.693,1283 0.575,1284 31.882,1285 26.438,1286 22.496,1287 0.441,1288 0.322,1289 16.218,1290 21.749,1291 15.891,1292 13.109,1293 22.496,1294 16.413,1295 19.66,1296 0.281,1297 0.176,1298 19.66,1299 12.31,1300 17.203,1301 0.183,1302 0.101,1303 17.203,1304 9.452,1305 14.277,1306 0.119,1307 0.057,1308 14.277,1309 6.849,1310 11.119,1311 0.078,1312 0.033,1313 11.119,1314 4.744,1315 0.186,1316 140.163,1317 0.17,1318 40.879,1319 0.299,1320 242,1321 644.543,1322 264.035,1323 619.862,1324 846.63,1325 582,1326 285,1327 617.11,1328 307.706,1329 623.167,1330 915.2,1331 588,1332 6}
{0 CHEMBL319622,1 1.482,2 17.25,3 6.72,4 45.158,5 173.474,6 7.01,7 0.458,8 4.517,9 4.642,10 4.035,11 4.044,12 5.579,13 4.01,14 5.084,15 5.267,16 4.375,17 4.445,18 6.151,19 4.384,20 5.374,21 5.604,22 4.456,23 4.62,24 6.268,25 4.529,26 5.523,27 5.76,28 4.442,29 4.671,30 6.46,31 4.565,32 5.551,33 5.797,34 4.443,35 4.702,36 6.458,37 4.581,38 5.581,39 5.834,40 4.464,41 4.75,42 6.453,43 4.619,44 5.607,45 5.865,46 4.465,47 4.795,48 6.473,49 4.649,50 5.618,51 5.89,52 4.414,53 4.794,54 6.406,55 4.633,56 0.125,57 1.228,58 18.621,59 7.933,60 14.808,61 10.887,62 0.554,63 2.013,64 35.361,65 12.963,66 66.53,67 18.455,68 0.334,69 2.547,70 48.52,71 17.226,72 51.863,73 25.135,74 0.69,75 2.759,76 58.385,77 19.474,78 93.947,79 27.729,80 0.623,81 2.781,82 60.083,83 21.494,84 100.319,85 30.35,86 0.767,87 2.93,88 61.846,89 21.916,90 94.626,91 31.652,92 0.732,93 3.056,94 62.833,95 23.173,96 100.08,97 33.81,98 0.555,99 3.059,100 63.646,101 23.936,102 73.426,103 35.073,104 36,105 65,106 0.221,107 0.526,108 0.727,109 0.823,110 0.857,111 0.857,112 3.81,113 0.966,114 -5.88,115 -5.74,116 -5.34,119 41.2,120 1,121 4,122 1,125 6,127 1,133 1,134 1,138 13,139 2,140 1,142 1,148 1,152 1,154 1,159 2,163 17,165 5,166 14,172 16,176 18,183 10,186 1,187 21,194 11,197 1,198 14,205 16,208 3,209 11,217 18,220 3,221 9,227 23,230 2,231 8,238 23,241 5,242 9,249 15,252 4464,253 30.223,254 30.223,255 30.223,256 30.223,257 30.223,258 27.051,259 36.735,260 18.088,261 30.754,262 23.595,263 23.595,264 23.595,265 23.595,266 23.595,267 18.803,268 44.118,269 8.396,270 24.462,271 4.927,272 2.882,273 1.538,274 0.893,275 0.668,276 0.668,277 4.513,284 1641,285 4.95,287 123.814,288 680.322,291 230.455,295 2.727,296 41.912,299 0.5,300 0.33,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.55,307 94.5,308 759,309 4.629,310 3.806,311 6.761,312 4.15,313 3.206,314 4.572,315 2.612,316 11.116,317 3.031,318 4.256,319 3.778,320 6.447,321 3.928,322 2.989,323 3.951,324 2.226,325 9.928,326 2.808,327 4.087,328 3.313,329 6.134,330 3.809,331 2.815,332 3.55,333 0.908,334 9.036,335 2.787,336 4.068,337 3.034,338 5.929,339 3.758,340 2.783,341 3.268,342 0.8,343 8.227,344 2.713,345 3.768,346 2.91,347 5.545,348 3.423,349 2.489,350 3.17,351 0.648,352 7.038,353 2.333,354 3.612,355 2.775,356 5.385,357 3.325,358 2.356,359 3.03,360 0.077,361 6.966,362 2.268,363 3.537,364 2.595,365 5.301,366 3.186,367 2.219,368 2.577,370 6.798,371 2.142,372 3.239,373 2.357,374 4.978,375 2.935,376 1.961,377 2.492,379 5.583,380 1.905,381 3.142,382 2.02,383 4.88,384 2.835,385 1.868,386 2.32,388 5.323,389 1.794,390 3.069,391 1.983,392 4.455,393 2.641,394 1.68,395 2.142,397 4.445,398 1.609,399 2.938,400 1.849,401 3.971,402 2.41,403 1.443,404 2.028,406 3.296,407 1.389,408 2.856,409 1.735,410 3.776,411 2.383,412 1.391,413 2.018,415 2.989,416 1.379,417 2.773,418 1.424,419 3.698,420 2.265,421 1.268,422 1.707,424 2.919,425 1.262,426 2.539,427 1.419,428 3.589,429 2.186,430 1.191,431 1.544,433 2.757,434 1.184,435 2.5,436 1.243,437 3.493,438 2,439 1,440 1.5,442 2.275,443 1,444 20.833,445 0.473,446 0.883,447 0.02,448 53.75,449 1.222,450 25.5,451 0.58,452 28.25,453 0.642,454 46.257,455 1.051,456 48.167,457 0.567,458 46.64,459 1.06,460 10.541,461 0.24,462 10.92,463 0.248,464 0.096,466 0.293,472 0.56,473 1.392,474 0.819,475 1.169,476 0.52,477 1.053,478 0.691,479 1.161,480 0.948,481 1.041,482 0.415,483 1.023,484 0.802,485 1.147,486 0.951,487 1.065,488 0.511,489 1.02,490 1.291,491 0.986,492 1.133,493 1.007,494 1.039,495 1.034,496 1.086,497 1.002,498 1.009,499 1.011,500 0.927,501 1.007,502 0.899,503 0.968,504 1.004,505 0.963,506 0.795,507 0.995,508 0.591,509 0.998,510 0.973,511 1.021,512 0.579,513 1.043,514 0.518,515 0.952,516 0.927,517 1.004,518 0.424,519 1.018,520 7.5,521 0.331,522 5.111,523 2.701,524 1.938,525 1.611,526 1.015,527 0.587,528 0.464,529 0.394,530 37345,531 96261,532 2.084,533 48.2,534 3,535 29,539 2,540 3,541 4,542 1.822,543 1.97,544 3.985,545 -0.791,550 126.004,551 1.482,552 3.528,553 4.871,554 5.517,555 5.742,556 5.742,557 3.496,558 4.971,559 5.43,560 4.255,561 4024.88,562 9.612,563 78763.2,568 544.798,569 1.325,570 5.399,571 0.156,572 0.007,573 0.079,574 0.039,575 0.03,576 0.024,577 0.015,578 0.009,579 0.007,580 0.007,581 0.373,582 0.17,583 0.5,584 0.869,585 259.605,586 0.152,587 -0.166,588 0.074,589 -0.06,590 0.017,591 -0.02,592 0.202,593 -0.013,595 -0.016,596 0.195,597 -0.034,598 -0.032,599 -0.076,600 0.005,601 -0.067,602 0.048,603 -0.026,604 -0.158,605 0.03,606 -0.128,607 -0.04,608 -0.063,609 -0.069,610 -0.075,611 -0.039,612 -0.02,613 -0.013,614 -0.02,615 -0.012,616 -0.015,617 0.017,618 -0.027,619 0.029,620 -0.036,621 0.001,622 0.081,623 -0.007,624 -0.02,625 -0.015,626 0.03,627 -0.029,628 0.042,629 0.019,630 0.017,631 0.005,632 0.019,633 0.007,634 2.445,635 6.058,636 0.614,637 61.793,638 0.997,639 1.127,640 4.653,641 21.648,642 0.654,643 3.892,644 4.19,645 4.466,646 4.7,647 4.92,648 4.97,649 5.088,650 5.182,651 5.242,652 5.333,653 10.11,654 0.617,655 595.81,656 3.892,657 5.425,658 6.271,659 7.136,660 8.001,661 8.872,662 9.744,663 10.619,664 11.494,665 12.372,666 5.9,669 1,673 1,674 1,676 1,677 1,680 2,681 13,682 1,686 4,687 1,688 22,698 1,703 85,705 26,706 3,707 48,709 89,710 35,711 19,712 5,713 13,717 5,718 6,721 1,724 3,727 5,729 22,730 13,731 1,733 4,734 1,735 1,737 3,739 1,741 1,747 41,748 7,750 9,753 1,755 5,760 0.8,761 4,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,801 1,805 44,810 10,812 1,814 2,815 2,825 4.7,828 1,830 1,831 2,832 22.333,833 15.25,834 9.944,835 5.413,836 2.937,837 1.35,838 0.964,839 10.949,840 11.329,841 4.159,842 4.703,843 5.232,844 5.759,845 6.243,846 6.424,847 6.738,848 7.011,849 7.113,850 7.331,851 1,852 69,853 16.338,854 6.886,855 7.723,856 31.577,857 26.071,859 2.223,860 97.833,864 482.615,865 205.025,866 30.603,868 86.892,871 205.025,872 569.507,873 30.603,874 14.495,875 44.15,876 132.667,877 44.258,878 27.295,879 8.907,880 482.615,881 50.747,882 482.615,883 235.629,884 86.892,887 400.217,888 118.543,889 50.747,891 46.704,892 156.993,893 31.932,895 482.615,896 117.495,897 205.025,900 482.615,901 47.766,902 155.31,904 119.444,905 482.615,906 117.495,907 205.025,909 0.57,910 0.339,911 0.184,912 0.103,913 28,914 13,915 0.157,916 14,917 1,918 1.074,919 5.316,920 440.688,921 0.074,922 27,923 224.215,928 31.589,929 15.251,930 8.02,931 2.238,932 109.926,933 25.237,934 4.901,938 3.182,939 2.398,941 805.135,942 63,943 3.846,944 -0.445,946 34.868,948 1.73,950 -0.384,952 84.723,953 95.803,954 0.231,955 0.55,956 0.76,957 0.861,958 0.896,959 0.896,960 5.387,961 1.961,962 6.236,963 6.798,964 4.875,965 5.391,966 3.18,967 7.027,968 4.803,969 6.563,970 1.868,971 7.783,972 5.583,973 4.369,974 5.13,975 2.792,976 7.91,977 4.237,978 7.851,979 1.68,980 9.431,981 5.323,982 6.447,983 7.535,984 4.606,985 10.999,986 6.289,987 9.176,988 1.443,989 11.142,990 4.445,991 6.804,992 8.163,993 4.858,994 12.745,995 6.576,996 10.536,997 1.391,998 12.893,999 3.296,1000 8.309,1001 10.03,1002 6.282,1003 15.34,1004 8.058,1005 11.922,1006 1.268,1007 14.672,1008 2.989,1009 9.064,1010 11.089,1011 6.828,1012 17.442,1013 8.743,1014 13.328,1015 1.191,1016 16.471,1017 2.919,1018 10.337,1019 12.738,1020 8.045,1021 19.879,1022 9.986,1023 3.206,1024 1,1025 18.285,1026 2.757,1027 11.284,1028 14.018,1029 8.755,1030 22.136,1031 10.866,1032 2.989,1033 11.116,1034 20.11,1035 2.275,1036 12.461,1037 15.576,1038 9.857,1039 24.525,1040 12.006,1041 2.815,1042 9.928,1043 21.946,1044 4.572,1045 13.502,1046 16.969,1047 10.664,1048 26.85,1049 12.982,1050 2.783,1051 9.036,1052 23.789,1053 3.951,1054 14.643,1055 18.491,1056 11.701,1057 29.229,1058 14.078,1059 2.489,1060 8.227,1061 25.639,1062 3.55,1063 15.73,1064 19.942,1065 12.568,1066 31.587,1067 15.102,1068 2.356,1069 7.038,1070 27.496,1071 3.268,1072 16.861,1073 21.452,1074 13.569,1075 33.967,1076 16.182,1077 2.219,1078 6.966,1079 29.357,1080 3.17,1081 17.971,1082 22.932,1083 14.472,1084 36.341,1085 17.231,1086 35279,1087 56997,1088 32.304,1089 55.552,1090 71.444,1091 73.145,1092 73.273,1093 70.962,1094 70.9,1095 91.384,1096 14.54,1097 198.333,1098 68.513,1099 5.629,1100 5.806,1101 6.563,1102 5.23,1103 5.206,1104 7.572,1105 4.612,1106 18.111,1107 5.031,1108 21.678,1109 1.488,1110 1.524,1111 1.527,1112 1.478,1113 1.477,1114 1.904,1115 0.303,1116 4.132,1117 1.427,1118 4.142,1119 4.186,1120 4.103,1121 4.021,1122 7.815,1123 4.034,1124 3.998,1125 4.029,1126 3.954,1127 3.88,1128 7.433,1129 3.885,1130 3.934,1131 3.977,1132 3.857,1133 3.858,1134 6.999,1135 3.854,1136 3.873,1137 3.919,1138 3.781,1139 3.726,1140 5.017,1141 3.73,1142 3.651,1143 3.707,1144 3.562,1145 3.488,1146 4.757,1147 3.485,1148 3.567,1149 3.624,1150 3.483,1151 3.434,1152 4.728,1153 3.427,1154 3.539,1155 3.568,1156 3.439,1157 3.355,1158 4.7,1159 3.336,1160 3.478,1161 3.547,1162 3.315,1163 3.198,1164 4.369,1165 3.26,1166 0.096,1167 0.079,1168 0.141,1169 0.086,1170 0.067,1171 4.629,1172 0.095,1173 3.806,1174 0.054,1175 6.761,1176 0.232,1177 4.15,1178 0.063,1179 3.206,1180 4.572,1181 2.612,1182 11.116,1183 3.031,1184 1.968,1185 1.935,1186 2.102,1187 2.091,1188 1.446,1189 2.093,1190 1.928,1191 1.903,1192 2.041,1193 2.082,1194 1.355,1195 2.056,1196 1.899,1197 1.87,1198 2.027,1199 2.032,1200 1.147,1201 2.034,1202 1.847,1203 1.789,1204 2.002,1205 1.976,1206 1.123,1207 1.988,1208 1.672,1209 1.612,1210 1.88,1211 1.852,1212 1.045,1213 1.861,1214 1.602,1215 1.54,1216 1.832,1217 1.814,1218 1.002,1219 1.813,1220 1.507,1221 1.444,1222 1.772,1223 1.714,1224 0.902,1225 1.709,1226 1.339,1227 1.311,1228 1.539,1229 1.67,1230 0.825,1231 1.636,1232 4.575,1233 5.878,1234 2.398,1235 7.376,1236 4.844,1237 8.958,1238 7.034,1239 10.584,1241 2.167,1247 7.802,1249 5.599,1251 0.423,1252 4.27,1257 52.449,1258 126.004,1259 299.841,1260 414.063,1261 468.924,1262 488.043,1263 488.043,1264 95.809,1265 8.393,1266 96.42,1267 96.42,1268 29,1269 12.91,1270 4.755,1271 4,1272 74.191,1273 271,1274 288,1275 0.13,1276 321.436,1277 564.5,1278 776.063,1279 61492,1281 30.89,1282 0.702,1283 0.577,1284 30.89,1285 25.385,1286 21.461,1287 0.447,1288 0.322,1289 15.265,1290 20.67,1291 14.931,1292 12.376,1293 21.461,1294 15.455,1295 18.56,1296 0.286,1297 0.175,1298 18.56,1299 11.369,1300 15.805,1301 0.184,1302 0.1,1303 15.805,1304 8.585,1305 12.873,1306 0.118,1307 0.056,1308 12.873,1309 6.155,1310 10.565,1311 0.078,1312 0.033,1313 10.565,1314 4.484,1315 0.211,1316 134.246,1317 0.176,1318 39.383,1319 0.338,1320 226,1321 635.168,1322 247.951,1323 610.909,1324 828.87,1325 570,1326 264,1327 612.076,1328 286.818,1329 612.903,1330 892.23,1331 576,1332 6}
{0 CHEMBL321539,1 1.363,2 15.756,3 6.826,4 46.589,5 166.149,6 6.636,7 0.489,8 4.481,9 4.611,10 3.958,11 4.029,12 5.467,13 3.981,14 5.054,15 5.246,16 4.289,17 4.426,18 5.978,19 4.346,20 5.345,21 5.585,22 4.362,23 4.596,24 6.146,25 4.483,26 5.478,27 5.725,28 4.355,29 4.643,30 6.314,31 4.518,32 5.52,33 5.771,34 4.393,35 4.685,36 6.374,37 4.553,38 5.569,39 5.826,40 4.413,41 4.739,42 6.411,43 4.599,44 5.574,45 5.84,46 4.405,47 4.784,48 6.348,49 4.627,50 5.606,51 5.882,52 4.347,53 4.784,54 6.352,55 4.612,56 0.072,57 1.172,58 19.078,59 7.98,60 12.48,61 11.188,62 0.494,63 1.959,64 35.49,65 12.942,66 38.749,67 18.794,68 0.352,69 2.485,70 47.81,71 17.274,72 36.534,73 25.421,74 0.593,75 2.696,76 55.827,77 19.238,78 59.064,79 27.767,80 0.546,81 2.749,82 57.952,83 21.271,84 71.832,85 30.223,86 0.686,87 2.916,88 60.962,89 22.01,90 77.925,91 31.759,92 0.443,93 3.03,94 60.138,95 23.002,96 55.502,97 33.721,98 0.47,99 3.049,100 62.372,101 23.906,102 60.138,103 34.962,104 15,105 60,106 0.205,107 0.5,108 0.698,109 0.796,110 0.846,111 0.857,112 3.741,113 0.997,114 -5.76,115 -5.63,116 -5.24,119 42.2,120 1,121 4,122 1,125 6,127 1,133 1,134 1,138 14,139 2,142 1,148 1,152 1,154 1,163 19,165 4,166 12,172 18,176 12,183 11,186 1,187 16,194 11,197 1,198 13,205 16,208 2,209 11,217 18,220 1,221 11,227 23,231 8,238 23,241 1,242 9,249 18,252 3614,253 28.568,254 28.568,255 28.568,256 28.568,257 28.568,258 25.673,259 31.782,260 17.366,261 29.042,262 22.161,263 22.161,264 22.161,265 22.161,266 22.161,267 17.828,268 38.974,269 8.102,270 22.948,271 5.012,272 3.056,273 1.739,274 1.088,275 0.756,276 0.684,277 4.448,284 1406,285 4.583,287 111.567,288 621.545,291 208.146,295 2.334,296 26.996,299 0.5,300 0.5,301 0.67,302 0.7,303 0.5,304 0.67,305 0.5,306 0.58,307 86,308 646,309 4.629,310 3.806,311 6.761,312 4.15,313 3.206,314 4.572,315 2.226,316 11.116,317 3.031,318 4.091,319 3.313,320 6.447,321 3.927,322 2.989,323 3.55,324 0.908,325 9.928,326 2.807,327 4.068,328 3.034,329 6.134,330 3.809,331 2.815,332 3.451,333 0.8,334 9.036,335 2.786,336 3.887,337 2.91,338 5.545,339 3.516,340 2.538,341 3.197,342 0.648,343 7.066,344 2.492,345 3.612,346 2.771,347 5.392,348 3.395,349 2.454,350 3.03,351 0.077,352 6.969,353 2.291,354 3.539,355 2.593,356 5.334,357 3.186,358 2.219,359 2.578,361 6.94,362 2.142,363 3.239,364 2.357,365 4.981,366 2.943,367 1.973,368 2.492,370 5.592,371 1.908,372 3.144,373 1.983,374 4.88,375 2.84,376 1.872,377 2.321,379 5.323,380 1.799,381 3.07,382 1.851,383 4.455,384 2.641,385 1.681,386 2.16,388 4.445,389 1.61,390 2.905,391 1.743,392 3.971,393 2.503,394 1.522,395 2.037,397 3.364,398 1.491,399 2.856,400 1.735,401 3.698,402 2.383,403 1.391,404 2.018,406 2.99,407 1.379,408 2.773,409 1.424,410 3.601,411 2.372,412 1.386,413 1.707,415 2.982,416 1.359,417 2.539,418 1.259,419 3.589,420 2.186,421 1.191,422 1.544,424 2.757,425 1.184,426 2.5,427 1.243,428 3.492,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1.086,437 3.414,438 2,439 1,440 1.5,442 2.26,443 1,444 19.767,445 0.482,446 0.687,447 0.017,448 48.5,449 1.183,450 22.5,451 0.549,452 26,453 0.634,454 43.783,455 1.068,456 44.433,457 0.535,458 39.735,459 0.969,460 9.515,461 0.232,462 10.642,463 0.26,464 0.067,466 0.263,472 0.793,473 1.413,474 0.892,475 1.18,476 0.652,477 1.065,478 0.924,479 1.15,480 1.027,481 1.033,482 0.596,483 1.031,484 1.002,485 1.127,486 0.998,487 1.038,488 0.707,489 1.009,490 1.602,491 0.989,492 1.146,493 0.992,494 1.411,495 1.016,496 1.397,497 1.015,498 1.029,499 1.003,500 1.331,501 0.991,502 1.32,503 0.969,504 1.047,505 0.933,506 1.462,507 0.965,508 0.715,509 1.026,510 0.993,511 1.024,512 0.727,513 1.028,514 0.784,515 0.957,516 0.993,517 0.977,518 0.749,519 0.997,520 6,521 0.232,522 4.222,523 2.389,524 1.667,525 1.375,526 0.935,527 0.531,528 0.373,529 0.314,530 30436,531 65654,532 2.12,533 50.6,534 3,535 30,539 2,540 3,541 4,542 1.806,543 2.033,544 3.868,545 -0.848,550 113.126,551 1.363,552 3.319,553 4.636,554 5.288,555 5.619,556 5.691,557 3.319,558 4.687,559 5.33,560 4.109,561 3369.08,562 9.418,563 61808.1,568 529.128,569 1.182,570 5.311,571 0.133,572 0.006,573 0.07,574 0.038,575 0.028,576 0.022,577 0.014,578 0.008,579 0.006,580 0.006,581 0.332,582 0.33,583 0.5,584 0.75,585 235.727,586 0.045,587 -0.216,588 0.074,589 -0.08,590 0.003,591 -0.015,592 0.218,593 -0.005,594 -0.023,595 -0.025,596 0.111,597 -0.044,598 -0.032,599 -0.061,600 -0.006,601 -0.055,602 0.007,603 -0.028,604 -0.156,605 0.037,606 -0.116,607 -0.035,608 -0.1,609 -0.063,610 -0.065,611 -0.039,612 -0.015,613 -0.02,614 0.02,615 -0.016,616 -0.06,617 0.018,618 -0.036,619 0.042,620 -0.083,621 0.007,622 -0.01,623 -0.018,624 -0.027,625 -0.031,626 -0.01,627 -0.03,628 -0.052,629 0.02,630 -0.025,631 0.013,632 -0.047,633 -0.001,634 1.921,635 5.991,636 0.659,637 52.631,638 0.986,639 1.124,640 4.533,641 20.55,642 0.655,643 3.829,644 4.111,645 4.394,646 4.644,647 4.86,648 4.883,649 5.024,650 5.136,651 5.176,652 5.263,653 9.283,654 0.609,655 550.81,656 3.829,657 5.352,658 6.196,659 7.059,660 7.922,661 8.793,662 9.664,663 10.539,664 11.415,665 12.293,666 4.8,669 1,673 1,674 1,676 1,680 2,681 14,682 1,686 3,687 1,688 22,703 83,705 24,706 3,707 45,709 87,710 35,711 19,712 4,713 14,717 5,718 6,721 1,724 3,727 5,729 22,730 13,731 1,733 2,734 1,737 1,739 1,741 1,747 42,748 5,750 6,753 1,755 4,760 0.8,761 2,775 1,776 4,779 1,787 1,788 1,792 1,793 1,796 4,801 1,805 41,810 10,812 1,814 2,815 2,825 2.4,828 1,830 1,832 20.167,833 14.8,834 9.333,835 5.351,836 2.76,837 1.336,838 0.974,839 10.276,840 10.965,841 4.078,842 4.598,843 5.139,844 5.678,845 6.154,846 6.267,847 6.619,848 6.967,849 7.033,850 7.281,851 1,852 63,853 15.233,854 6.342,855 7.504,856 30.047,857 24.893,859 2.004,860 82.167,864 494.386,865 211.745,866 24.933,868 36.145,871 211.745,872 530.531,873 24.933,874 8.825,875 44.15,876 142.144,877 44.258,878 24.539,879 8.907,880 494.386,882 494.386,883 236.678,884 36.145,887 411.989,888 118.543,891 46.704,892 163.712,893 26.262,895 494.386,896 61.078,897 211.745,900 494.386,901 45.009,902 159.117,904 68.697,905 494.386,906 61.078,907 211.745,909 0.563,910 0.336,911 0.189,912 0.106,913 26,914 11,915 0.149,916 13,917 1,918 1.074,919 5.118,920 403.183,921 0.074,922 27,923 207.66,928 29.102,929 14.478,930 7.466,931 2.289,932 59.179,933 29.215,934 4.915,938 3.52,939 2.424,941 767.209,942 58,943 3.884,946 12.991,948 1.797,950 -0.254,952 81.85,953 93.301,954 0.214,955 0.521,956 0.727,957 0.829,958 0.881,959 0.893,960 5.296,961 1.872,962 6.146,963 5.592,964 4.796,965 5.286,966 2.553,967 6.929,968 4.724,969 6.452,970 1.681,971 7.681,972 5.323,973 4.205,974 4.879,975 1.905,976 7.789,977 4.067,978 7.725,979 1.522,980 9.321,981 4.445,982 6.351,983 7.393,984 3.622,985 10.902,986 6.192,987 9.035,988 1.391,989 11.027,990 3.364,991 6.661,992 7.923,993 3.668,994 12.657,995 6.425,996 10.383,997 1.386,998 12.777,999 2.99,1000 8.204,1001 9.865,1002 5.031,1003 15.265,1004 7.949,1005 11.759,1006 1.191,1007 14.557,1008 2.982,1009 8.94,1010 10.875,1011 5.399,1012 17.382,1013 8.607,1014 13.158,1015 1,1016 16.359,1017 2.757,1018 10.233,1019 12.571,1020 6.54,1021 19.829,1022 9.873,1023 3.206,1024 1,1025 18.177,1026 2.275,1027 11.177,1028 13.836,1029 7.079,1030 22.096,1031 10.743,1032 2.989,1033 11.116,1034 20.008,1035 2.26,1036 12.366,1037 15.424,1038 8.087,1039 24.493,1040 11.896,1041 2.815,1042 9.928,1043 21.85,1044 4.572,1045 13.41,1046 16.82,1047 8.727,1048 26.826,1049 12.871,1050 2.538,1051 9.036,1052 23.699,1053 3.55,1054 14.56,1055 18.362,1056 9.654,1057 29.21,1058 13.975,1059 2.454,1060 7.066,1061 25.556,1062 3.451,1063 15.652,1064 19.822,1065 10.356,1066 31.572,1067 15.002,1068 2.219,1069 6.969,1070 27.418,1071 3.197,1072 16.789,1073 21.347,1074 11.234,1075 33.956,1076 16.089,1077 1.973,1078 6.94,1079 29.286,1080 3.03,1081 17.905,1082 22.838,1083 11.973,1084 36.333,1085 17.142,1086 28530,1087 42043,1088 30.8,1089 54.398,1090 66.655,1091 67.152,1092 67.817,1093 66.049,1094 65.991,1095 83.86,1096 9.316,1097 182.023,1098 63.796,1099 5.629,1100 5.806,1101 6.563,1102 5.225,1103 5.206,1104 7.572,1105 3.974,1106 18.111,1107 5.031,1108 15.625,1109 1.481,1110 1.492,1111 1.507,1112 1.468,1113 1.466,1114 1.864,1115 0.207,1116 4.045,1117 1.418,1118 4.141,1119 4.185,1120 4.102,1121 4.02,1122 7.433,1123 4.034,1124 3.955,1125 4.001,1126 3.875,1127 3.87,1128 5.017,1129 3.865,1130 3.905,1131 3.935,1132 3.833,1133 3.843,1134 4.782,1135 3.836,1136 3.864,1137 3.911,1138 3.768,1139 3.726,1140 4.744,1141 3.728,1142 3.642,1143 3.702,1144 3.535,1145 3.487,1146 4.709,1147 3.484,1148 3.564,1149 3.623,1150 3.443,1151 3.434,1152 4.381,1153 3.427,1154 3.479,1155 3.548,1156 3.315,1157 3.355,1158 4.35,1159 3.336,1160 3.37,1161 3.401,1162 3.265,1163 3.125,1164 4.304,1165 3.155,1166 0.103,1167 0.085,1168 0.15,1169 0.092,1170 0.071,1171 4.629,1172 0.102,1173 3.806,1174 0.049,1175 6.761,1176 0.247,1177 4.15,1178 0.067,1179 3.206,1180 4.572,1181 2.226,1182 11.116,1183 3.031,1184 1.968,1185 1.935,1186 2.102,1187 2.085,1188 1.446,1189 2.093,1190 1.905,1191 1.877,1192 2.042,1193 2.036,1194 1.355,1195 2.039,1196 1.898,1197 1.87,1198 2.029,1199 1.99,1200 1.133,1201 2.004,1202 1.847,1203 1.789,1204 2.002,1205 1.974,1206 1.123,1207 1.987,1208 1.671,1209 1.612,1210 1.88,1211 1.852,1212 1.045,1213 1.861,1214 1.601,1215 1.539,1216 1.832,1217 1.804,1218 1.002,1219 1.811,1220 1.507,1221 1.444,1222 1.772,1223 1.671,1224 0.902,1225 1.709,1226 1.279,1227 1.235,1228 1.538,1229 1.546,1230 0.825,1231 1.536,1232 4.511,1233 5.802,1234 2.398,1235 7.294,1236 4.844,1237 8.872,1238 7.034,1239 10.495,1241 2.187,1247 8.558,1249 5.668,1251 0.559,1252 4.414,1257 50.524,1258 113.126,1259 275.487,1260 384.806,1261 438.864,1262 466.373,1263 472.373,1264 73.354,1265 8.205,1266 50.6,1267 50.6,1268 29,1269 12.831,1270 4.644,1271 3.807,1272 66.405,1273 232,1274 242,1275 0.136,1276 309.576,1277 538.56,1278 747.126,1279 47433,1281 28.443,1282 0.694,1283 0.59,1284 28.443,1285 24.198,1286 20.157,1287 0.448,1288 0.332,1289 14.809,1290 19.615,1291 14.454,1292 12.001,1293 20.157,1294 14.955,1295 17.04,1296 0.284,1297 0.182,1298 17.04,1299 10.931,1300 14.695,1301 0.184,1302 0.104,1303 14.695,1304 8.281,1305 12.205,1306 0.118,1307 0.058,1308 12.205,1309 6.015,1310 10.095,1311 0.079,1312 0.034,1313 10.095,1314 4.371,1315 0.219,1316 124.52,1317 0.18,1318 37.067,1319 0.359,1320 210,1321 504.052,1322 225.775,1323 492.761,1324 686.3,1325 466,1326 245,1327 510.711,1328 261.999,1329 518.892,1330 760.21,1331 490,1332 6}
{0 CHEMBL365155,1 1.633,2 13.04,3 5.053,4 25.536,5 105.99,6 7.824,7 0.462,8 3.959,9 4.089,10 3.558,11 3.466,12 4.991,13 3.424,14 4.504,15 4.713,16 3.884,17 3.819,18 5.502,19 3.741,20 4.707,21 4.935,22 3.917,23 3.942,24 5.622,25 3.813,26 4.783,27 5.059,28 3.912,29 3.852,30 5.688,31 3.695,32 4.595,33 4.869,34 3.563,35 3.715,36 5.391,37 3.579,38 4.553,39 4.812,40 3.677,41 3.702,42 5.486,43 3.585,44 4.486,45 4.739,46 3.609,47 3.677,48 5.379,49 3.549,50 4.467,51 4.737,52 3.635,53 3.579,54 5.42,55 3.457,56 0.018,57 0.689,58 10.114,59 4.309,60 6.58,61 5.99,62 0.322,63 1.024,64 21.439,65 7.086,66 26.008,67 9.917,68 0.23,69 1.129,70 30.327,71 9.457,72 28.894,73 13.114,74 0.622,75 1.091,76 41.021,77 9.82,78 52.858,79 13.788,80 0.278,81 0.997,82 26.05,83 7.891,84 26.175,85 11.436,86 0.437,87 0.973,88 26.955,89 7.175,90 37.109,91 10.449,92 0.208,93 0.93,94 23.061,95 7.102,96 24.869,97 10.269,98 0.433,99 0.862,100 25.11,101 6.277,102 36.819,103 9.385,104 24,105 33,106 0.281,107 0.582,108 0.773,109 0.849,110 0.863,111 0.863,112 3.265,113 1.048,114 -5.47,115 -5.35,116 -4.99,119 36.7,121 3,124 2,125 3,138 4,139 1,140 2,141 1,143 1,146 1,163 4,165 2,166 5,169 2,171 1,172 8,176 2,181 1,183 3,186 1,187 7,190 1,192 2,194 4,198 3,205 1,209 8,212 1,214 1,217 4,221 2,226 1,227 1,230 2,231 5,236 3,238 3,249 2,252 1059,253 16.621,254 16.621,255 16.621,256 16.621,257 16.621,258 15.068,259 22.243,260 10.308,261 17.302,262 12.86,263 12.86,264 12.86,265 12.86,266 12.86,267 10.568,268 29.604,269 4.975,270 14.058,271 3.982,272 2.233,273 1.123,274 0.684,275 0.602,276 0.602,277 3.932,279 2,282 1,283 1,284 664,285 3.674,288 187.938,295 2.282,296 19.41,299 0.75,300 0.83,301 0.83,302 1,303 1,304 1,305 1,306 0.92,307 53.667,308 326,309 4.234,310 3.289,311 6.06,312 3.791,313 2.863,314 3.881,315 1.151,316 8.714,317 2.627,318 4.065,319 2.948,320 5.595,321 3.591,322 2.684,323 3.668,324 0.8,325 7.729,326 2.431,327 3.48,328 2.741,329 5.007,330 3.16,331 2.237,332 2.786,333 0.4,334 6.015,335 2.067,336 3.36,337 2.577,338 4.935,339 3.062,340 2.174,341 2.611,343 5.745,344 1.918,345 3.234,346 2.472,347 4.659,348 2.945,349 2.053,350 2.235,352 5.183,353 1.761,354 2.851,355 2.034,356 4.171,357 2.636,358 1.669,359 1.981,361 3.77,362 1.605,363 2.739,364 1.735,365 3.738,366 2.373,367 1.474,368 1.803,370 3.419,371 1.247,372 2.641,373 1.369,374 3.507,375 2.182,376 1.246,377 1.663,379 2.697,380 1.159,381 2.071,382 1.114,383 3.25,384 1.962,385 1,386 1.055,388 2.093,389 0.959,390 1.963,391 1.075,392 3.145,393 1.63,394 0.746,395 0.881,397 1.731,398 0.635,399 1.358,400 0.534,401 2.589,402 1.238,403 0.286,404 0.3,406 0.614,407 0.272,408 1.259,409 0.433,410 2.53,411 0.842,417 0.815,418 0.256,419 2.359,420 0.565,421 -0.384,422 -0.42,424 -0.874,425 -0.293,426 0.793,427 -0.229,428 2,429 0.277,430 -0.514,431 -0.621,433 -1.242,434 -0.362,435 0.653,436 -0.282,437 2,438 0.213,439 -0.667,440 -0.823,442 -1.601,443 -0.561,444 12.362,445 0.494,446 0.544,447 0.022,448 29.25,449 1.17,450 13,451 0.52,452 16.25,453 0.65,454 21.788,455 0.872,456 28.438,457 0.58,458 19.238,459 0.77,460 5.707,461 0.228,462 6.335,463 0.253,464 0.196,466 0.235,472 0.791,473 1.629,474 0.622,475 1.116,476 0.689,477 1.043,478 0.988,479 0.915,480 0.701,481 0.78,482 0.635,483 0.86,484 1.026,485 1.223,486 0.939,487 1.088,488 0.955,489 1.071,490 0.932,491 0.841,492 0.84,493 0.858,494 0.877,495 0.865,496 0.925,497 0.98,498 0.642,499 0.799,500 0.809,501 0.844,502 0.937,503 0.879,504 0.799,505 0.839,506 0.896,507 0.87,508 0.898,509 1.189,510 0.731,511 0.917,512 0.874,513 0.945,514 0.897,515 0.824,516 0.769,517 0.792,518 0.85,519 0.834,520 5,521 0.12,522 2,523 1.063,524 0.916,525 0.493,526 0.264,527 0.271,528 0.221,529 0.141,530 7866,531 22300,532 1.973,533 49,534 2,535 16,537 1,538 1,540 4,542 1.673,543 1.852,544 3.65,545 -0.277,550 80.023,551 1.633,552 3.382,553 4.492,554 4.931,555 5.012,556 5.012,557 3.113,558 4.404,559 4.609,560 3.853,561 1156.05,562 7.938,563 15414.8,565 1,568 275.121,569 1.359,570 4.575,571 0.192,572 0.007,573 0.061,574 0.034,575 0.035,576 0.021,577 0.011,578 0.011,579 0.01,580 0.007,581 0.39,582 0.33,583 0.88,584 1.909,585 125.559,586 -0.027,587 -0.328,588 0.019,589 -0.124,590 -0.012,591 -0.054,592 0.032,593 0.236,594 0.051,595 0.142,596 0.194,597 0.076,598 -0.076,599 -0.2,600 -0.023,601 -0.104,602 -0.023,603 -0.089,604 0.172,605 0.066,606 0.147,607 0.087,608 0.175,609 0.092,610 -0.06,611 -0.01,612 0.072,613 0.104,614 -0.028,615 0.107,616 0.051,617 0.142,618 0.036,619 0.068,620 0.054,621 0.065,622 -0.06,623 -0.166,624 0.045,625 0.01,626 -0.025,627 0.014,628 0.12,629 0.188,630 0.106,631 0.1,632 0.13,633 0.088,634 1.17,635 2.2,636 0.48,637 28.992,638 1.002,639 1.136,640 4.238,641 17.965,642 0.665,643 3.296,644 3.526,645 3.638,646 3.784,647 3.932,648 3.871,649 3.829,650 3.932,651 4.007,652 4.043,653 7.642,654 0.617,655 383.36,656 3.296,657 4.779,658 5.557,659 6.375,660 7.171,661 7.994,662 8.799,663 9.626,664 10.437,665 11.267,666 8.2,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 49,705 12,706 1,707 26,709 50,710 18,711 10,712 3,713 3,717 2,718 2,719 2,727 3,729 10,730 8,747 24,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 2,802 2,805 25,810 6,811 1,812 1,815 1,824 2,825 2,830 1,832 13.5,833 9.219,834 5.694,835 2.927,836 2.22,837 1.334,838 0.932,839 8.586,840 8.865,841 3.497,842 3.989,843 4.413,844 4.868,845 5.329,846 5.269,847 5.297,848 5.615,849 5.984,850 6.305,851 0.889,852 31,853 9.193,854 3.622,855 7.642,856 17.737,857 13.586,859 2.142,860 53.556,863 1,864 270.735,865 97.053,866 54.706,867 78.297,868 11,871 97.053,872 360.033,873 54.706,874 16.793,875 16.407,876 37.905,877 63.353,878 33.358,879 6.714,880 258.964,881 78.297,882 270.735,883 151.759,884 11,885 78.297,887 223.651,888 58.084,891 30.478,892 69.699,893 129.879,895 270.735,896 65.706,897 175.35,900 270.735,901 33.308,902 66.869,903 18.011,904 122.868,905 270.735,906 65.706,907 175.35,909 0.561,910 0.293,911 0.146,912 0.078,913 12,914 6,915 0.2,916 10,918 1,919 3.878,920 176.783,922 12,923 114.096,928 20.083,929 10.689,930 7.675,932 65.706,933 8.742,934 8.575,938 3.133,940 18.011,941 511.792,942 32,952 49.102,953 55.658,954 0.291,955 0.602,956 0.8,957 0.878,958 0.893,959 0.893,960 4.682,961 1.246,962 5.493,963 3.419,964 4.205,965 4.673,966 1.595,967 6.159,968 4.024,969 5.83,970 1,971 6.963,972 2.697,973 3.611,974 4.311,975 0.325,976 6.763,977 3.214,978 7.083,979 0.746,980 8.527,981 2.093,982 5.659,983 6.729,984 1.613,985 9.773,986 5.312,987 8.369,988 0.286,989 10.147,990 1.731,991 5.832,992 7.149,993 0.268,994 11.193,995 5.258,996 9.685,998 11.802,999 0.614,1000 7.353,1001 9.076,1002 1.779,1003 13.7,1004 6.833,1005 11.024,1006 -0.384,1007 13.483,1009 7.918,1010 9.885,1011 0.188,1012 15.49,1013 7.191,1014 12.38,1015 -0.514,1016 15.184,1017 -0.874,1018 9.19,1019 11.571,1020 1.991,1021 17.798,1022 8.49,1023 2.863,1024 -0.667,1025 16.899,1026 -1.242,1027 9.97,1028 12.594,1029 0.125,1030 19.766,1031 9.092,1032 2.684,1033 8.714,1034 18.626,1035 -1.601,1036 11.118,1037 14.145,1038 2.225,1039 21.987,1040 10.236,1041 2.237,1042 7.729,1043 20.364,1044 3.881,1045 12.016,1046 15.293,1047 0.082,1048 24.045,1049 10.983,1050 2.174,1051 6.015,1052 22.109,1053 3.668,1054 13.104,1055 16.763,1056 2.473,1057 26.228,1058 12.041,1059 2.053,1060 5.745,1061 23.861,1062 2.786,1063 14.066,1064 17.986,1065 0.054,1066 28.331,1067 12.874,1068 1.669,1069 5.183,1070 25.62,1071 2.611,1072 15.125,1073 19.407,1074 2.73,1075 30.497,1076 13.883,1077 1.474,1078 3.77,1079 27.383,1080 2.235,1081 16.122,1082 20.676,1083 0.035,1084 32.625,1085 14.766,1086 7961,1087 13745,1088 16.989,1089 32.569,1090 36.974,1091 37.699,1092 37.466,1093 37.255,1094 36.867,1095 45.731,1096 4.702,1097 95.421,1098 33.364,1099 5.164,1100 5.289,1101 5.888,1102 4.875,1103 4.863,1104 6.881,1105 2.302,1106 14.956,1107 4.627,1108 13.656,1109 1.422,1110 1.45,1111 1.441,1112 1.433,1113 1.418,1114 1.759,1115 0.181,1116 3.67,1117 1.283,1118 3.944,1119 3.972,1120 4.094,1121 3.883,1122 5.073,1123 3.874,1124 3.84,1125 3.888,1126 3.816,1127 3.67,1128 4.993,1129 3.69,1130 3.743,1131 3.813,1132 3.604,1133 3.577,1134 4.633,1135 3.576,1136 3.531,1137 3.617,1138 3.589,1139 3.315,1140 4.44,1141 3.315,1142 3.258,1143 3.334,1144 3.367,1145 3.067,1146 4.342,1147 3.064,1148 3.181,1149 3.24,1150 3.206,1151 2.998,1152 4.146,1153 2.984,1154 2.88,1155 3.009,1156 3.026,1157 2.796,1158 4.049,1159 2.769,1160 2.874,1161 2.972,1162 2.839,1163 2.658,1164 3.879,1165 2.657,1166 0.163,1167 0.127,1168 0.233,1169 0.146,1170 0.11,1171 4.234,1172 0.149,1173 3.289,1174 0.044,1175 6.06,1176 0.335,1177 3.791,1178 0.101,1179 2.863,1180 3.881,1181 1.151,1182 8.714,1183 2.627,1184 1.895,1185 1.881,1186 2.009,1187 2.005,1188 1.343,1189 1.998,1190 1.779,1191 1.718,1192 1.961,1193 1.953,1194 1.134,1195 1.972,1196 1.704,1197 1.649,1198 1.841,1199 1.903,1200 1.023,1201 1.896,1202 1.509,1203 1.422,1204 1.771,1205 1.75,1206 0.785,1207 1.768,1208 1.23,1209 1.148,1210 1.566,1211 1.489,1212 0.726,1213 1.517,1214 1.153,1215 1.099,1216 1.417,1217 1.375,1218 0.572,1219 1.387,1220 0.934,1221 0.824,1222 1.392,1223 1.239,1224 0.469,1225 1.308,1226 0.868,1227 0.804,1228 1.228,1229 1.143,1230 0.422,1231 1.18,1232 3.97,1233 5.22,1235 6.642,1237 8.15,1239 9.706,1241 4.184,1242 12.038,1247 5.754,1248 3.231,1249 5.7,1252 2.199,1257 30.25,1258 80.023,1259 165.698,1260 220.101,1261 241.611,1262 245.611,1263 245.611,1264 44.62,1265 6.645,1266 50.28,1267 50.28,1268 12,1269 11.845,1270 3.7,1271 2.807,1272 52.115,1273 113,1274 116,1275 0.219,1276 198.921,1277 340.81,1278 477.126,1279 6928,1280 4.1,1281 18.071,1282 0.723,1283 0.646,1284 19.071,1285 16.147,1286 12.042,1287 0.463,1288 0.349,1289 8.262,1290 10.992,1291 7.933,1292 6.664,1293 12.619,1294 9.084,1295 10.517,1296 0.319,1297 0.208,1298 11.296,1299 6.877,1300 7.59,1301 0.205,1302 0.113,1303 8.206,1304 4.173,1305 5.873,1306 0.137,1307 0.063,1308 6.569,1309 2.691,1310 4.411,1311 0.088,1312 0.033,1313 4.77,1314 1.654,1315 0.36,1316 81.607,1317 0.243,1318 25.29,1319 0.556,1320 118,1321 357.411,1322 159.77,1323 403.761,1324 523.89,1325 376,1326 129,1327 328.56,1328 161.284,1329 354.477,1330 508.81,1331 329,1332 5.699}
{0 CHEMBL370861,1 1.642,2 13.871,3 3.973,4 15.785,5 127.72,6 7.855,7 0.353,8 4.171,9 4.305,10 3.787,11 3.684,12 5.17,13 3.653,14 4.765,15 4.972,16 4.172,17 4.109,18 5.72,19 4.046,20 5.054,21 5.282,22 4.262,23 4.3,24 5.966,25 4.193,26 5.145,27 5.398,28 4.239,29 4.257,30 6.118,31 4.124,32 5.035,33 5.295,34 3.999,35 4.149,36 5.936,37 4.021,38 5.012,39 5.289,40 3.999,41 4.079,42 5.901,43 3.96,44 4.886,45 5.162,46 3.892,47 4.028,48 5.741,49 3.891,50 4.816,51 5.093,52 3.884,53 3.951,54 5.671,55 3.807,56 0.025,57 0.902,58 12.014,59 5.023,60 6.395,61 7.111,62 0.385,63 1.447,64 26.127,65 8.518,66 27.087,67 12.36,68 0.376,69 1.727,70 39.749,71 12.437,72 35.845,73 17.698,74 0.793,75 1.712,76 51.489,77 13.422,78 79.431,79 18.883,80 0.49,81 1.599,82 39.257,83 12.078,84 56.943,85 17.475,86 0.641,87 1.544,88 40.935,89 10.339,90 60.509,91 15.803,92 0.486,93 1.397,94 34.058,95 10.146,96 42.215,97 15.05,98 0.379,99 1.232,100 33.909,101 10.234,102 39.25,103 15.068,104 17,105 47,106 0.269,107 0.566,108 0.753,109 0.844,110 0.867,111 0.867,112 3.471,113 1.013,114 -5.13,115 -5.03,116 -4.71,119 37.3,121 2,122 1,124 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 3,166 7,169 2,171 1,172 8,175 1,176 3,181 1,183 3,186 3,187 4,190 1,192 4,194 3,197 2,198 4,209 8,214 1,217 1,220 3,221 4,224 1,227 2,231 6,238 4,241 2,242 4,245 1,247 1,249 1,252 1719,253 20.878,254 20.878,255 20.878,256 20.878,257 20.878,258 19.244,259 31.736,260 12.273,261 21.62,262 16.76,263 16.76,264 16.76,265 16.76,266 16.76,267 14.252,268 46.242,269 5.834,270 18.045,271 4.241,272 2.428,273 1.284,274 0.725,275 0.589,276 0.589,277 4.167,279 2,282 1,283 1,284 928,285 3.082,288 446.631,295 2.4,296 28.307,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 66.667,308 430,309 4.238,310 3.824,311 6.406,312 3.979,313 3.012,314 3.881,315 1.94,316 9.742,317 2.924,318 4.182,319 3.269,320 6.164,321 3.815,322 2.881,323 3.725,324 0.8,325 9.154,326 2.671,327 4.099,328 3.127,329 6.059,330 3.768,331 2.836,332 3.278,333 0.8,334 8.708,335 2.62,336 3.618,337 2.773,338 5.385,339 3.385,340 2.461,341 2.84,342 0.657,343 6.974,344 2.273,345 3.459,346 2.757,347 5.291,348 3.231,349 2.319,350 2.749,351 0.555,352 6.71,353 2.107,354 3.413,355 2.584,356 4.955,357 2.988,358 2.107,359 2.445,361 5.802,362 1.808,363 2.999,364 2.293,365 4.826,366 2.834,367 1.893,368 2.055,370 5.323,371 1.746,372 2.85,373 2.025,374 4.327,375 2.459,376 1.533,377 1.973,379 4.057,380 1.414,381 2.743,382 1.852,383 4.164,384 2.353,385 1.426,386 1.811,388 3.731,389 1.242,390 2.511,391 1.586,392 3.654,393 2.206,394 1.225,395 1.501,397 2.702,398 1.197,399 2.253,400 1.235,401 3.489,402 2.047,403 1.109,404 1.218,406 2.552,407 1.037,408 2.044,409 1.159,410 3.434,411 1.967,412 1,413 1,415 2.275,416 0.965,417 2,418 1.146,419 3.414,420 1.739,421 0.75,422 0.887,424 1.86,425 0.724,426 1.963,427 0.994,428 3.238,429 1.666,430 0.715,431 0.86,433 1.724,434 0.664,435 1.261,436 0.436,437 2.597,438 0.863,444 15.162,445 0.489,446 0.767,447 0.025,448 36,449 1.161,450 14.5,451 0.468,452 21.5,453 0.694,454 30.652,455 0.989,456 34.638,457 0.587,458 26.052,459 0.84,460 6.837,461 0.221,462 8.155,463 0.263,464 0.149,466 0.31,472 0.727,473 1.689,474 0.615,475 1.111,476 0.528,477 1.016,478 0.868,479 1.008,480 0.707,481 0.801,482 0.534,483 0.868,484 1.014,485 1.183,486 0.908,487 1.05,488 0.922,489 1.052,490 1.192,491 0.93,492 0.91,493 0.948,494 1.611,495 0.999,496 0.982,497 1.113,498 0.743,499 0.965,500 1.298,501 0.991,502 1.084,503 0.972,504 0.784,505 0.829,506 1.044,507 0.877,508 0.775,509 0.825,510 0.728,511 0.8,512 0.539,513 0.891,514 0.571,515 1.006,516 0.65,517 0.932,518 0.597,519 0.895,520 6.5,521 0.152,522 3.778,523 1.938,524 1.48,525 0.903,526 0.504,527 0.476,528 0.332,529 0.206,530 14694,531 40115,532 2.084,533 47.5,534 2,535 21,537 1,538 1,539 1,540 2,542 1.731,543 1.958,544 3.744,545 -0.297,547 1,550 96.853,551 1.642,552 3.455,553 4.598,554 5.158,555 5.294,556 5.294,557 3.216,558 4.761,559 4.925,560 3.938,561 1831.03,562 8.573,563 27434.1,568 347.076,569 1.383,570 4.888,571 0.191,572 0.006,573 0.08,574 0.04,575 0.036,576 0.024,577 0.014,578 0.014,579 0.011,580 0.007,581 0.423,582 0.17,583 0.88,584 0.541,585 164.598,586 -0.028,587 -0.382,588 0.031,589 -0.12,590 0.012,591 -0.04,592 0.02,593 0.187,594 0.03,595 0.116,596 0.084,597 0.061,598 -0.093,599 -0.125,600 -0.045,601 -0.083,602 -0.035,603 -0.082,604 -0.015,605 0.03,606 0.009,607 -0.005,608 -0.11,609 -0.048,610 -0.023,611 -0.146,612 0.004,613 -0.039,614 -0.074,615 -0.029,616 -0.067,617 0.01,618 0.024,619 0.055,620 -0.025,621 0.05,622 0.033,623 0.178,624 0.041,625 0.108,626 0.096,627 0.063,628 0.186,629 -0.084,630 0.184,631 0.037,632 0.15,633 0.11,634 1.365,635 5.89,636 0.774,637 37.27,638 1.003,639 1.137,640 3.901,641 15.22,642 0.667,643 3.555,644 3.871,645 4.111,646 4.317,647 4.533,648 4.533,649 4.615,650 4.718,651 4.836,652 4.942,653 8.109,654 0.624,655 463.46,656 3.555,657 5.094,658 5.932,659 6.795,660 7.644,661 8.508,662 9.362,663 10.225,664 11.081,665 11.945,666 10.2,669 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 59,705 13,706 1,707 34,709 62,710 22,711 10,712 3,713 3,717 4,718 4,719 2,724 2,725 1,727 2,729 11,730 11,731 1,733 1,737 1,741 1,744 1,747 28,748 7,749 1,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,792 1,796 4,801 1,802 2,805 31,810 9,811 1,814 1,815 3,824 2,825 1.7,828 1,832 15.833,833 10.702,834 6.778,835 3.66,836 2.253,837 1.289,838 0.973,839 7.54,840 10.054,841 3.738,842 4.248,843 4.705,844 5.127,845 5.571,846 5.584,847 5.743,848 6.028,849 6.39,850 6.729,851 1,852 48,853 11.504,854 4.862,855 7.647,856 22.378,857 18.595,859 2.147,860 66.556,863 1,864 317.82,865 94.276,866 60.955,867 78.297,868 25.145,871 94.276,872 421.262,873 60.955,874 8.396,875 22.933,876 37.905,877 93.202,878 25.483,879 4.227,880 306.049,881 78.297,882 317.82,883 155.231,884 25.145,885 78.297,887 294.278,888 48.687,891 37.004,892 66.645,893 129.879,895 317.82,896 86.1,897 172.574,900 317.82,901 38.927,902 64.722,903 18.011,904 137.013,905 317.82,906 86.1,907 172.574,909 0.584,910 0.337,911 0.174,912 0.094,913 22,914 10,915 0.081,916 5,918 1,919 4.336,920 269.562,922 24,923 149.58,928 22.591,929 10.346,930 5.805,932 86.1,933 9.094,934 8.974,938 3.568,940 18.011,941 576.493,942 41,946 12.89,950 0.302,952 59.189,953 67.07,954 0.279,955 0.587,956 0.782,957 0.877,958 0.9,959 0.9,960 4.99,961 1.533,962 5.911,963 5.323,964 4.554,965 4.934,966 2.349,967 6.683,968 4.413,969 6.152,970 1.426,971 7.451,972 4.057,973 4.111,974 4.649,975 1.803,976 7.493,977 3.842,978 7.431,979 1.225,980 9.086,981 3.731,982 6.12,983 6.963,984 3.032,985 10.551,986 5.858,987 8.736,988 1.109,989 10.776,990 2.702,991 6.463,992 7.453,993 3.157,994 12.158,995 6.099,996 10.073,997 1,998 12.501,999 2.552,1000 7.944,1001 9.282,1002 4.143,1003 14.722,1004 7.574,1005 11.429,1006 0.75,1007 14.25,1008 2.275,1009 8.655,1010 10.137,1011 4.543,1012 16.669,1013 8.209,1014 12.801,1015 0.715,1016 16.017,1017 1.86,1018 9.909,1019 11.752,1020 5.384,1021 19.047,1022 9.443,1023 3.012,1025 17.797,1026 1.724,1027 10.803,1028 12.801,1029 5.912,1030 21.151,1031 10.279,1032 2.881,1033 9.742,1034 19.586,1036 11.955,1037 14.306,1038 6.67,1039 23.452,1040 11.403,1041 2.836,1042 9.154,1043 21.384,1044 3.881,1045 12.94,1046 15.466,1047 7.263,1048 25.63,1049 12.341,1050 2.461,1051 8.708,1052 23.189,1053 3.725,1054 14.048,1055 16.907,1056 7.976,1057 27.9,1058 13.417,1059 2.319,1060 6.974,1061 24.999,1062 3.278,1063 15.078,1064 18.135,1065 8.602,1066 30.114,1067 14.407,1068 2.107,1069 6.71,1070 26.813,1071 2.84,1072 16.167,1073 19.537,1074 9.292,1075 32.372,1076 15.464,1077 1.893,1078 5.802,1079 28.631,1080 2.749,1081 17.221,1082 20.808,1083 9.936,1084 34.605,1085 16.483,1086 13912,1087 23275,1088 22.77,1089 39.341,1090 51.09,1091 52.167,1092 52.198,1093 50.933,1094 50.532,1095 60.446,1096 9.506,1097 142.625,1098 46.785,1099 5.238,1100 5.824,1101 5.958,1102 5.053,1103 5.012,1104 6.881,1105 3.348,1106 16.552,1107 4.924,1108 15.266,1109 1.503,1110 1.534,1111 1.535,1112 1.498,1113 1.486,1114 1.778,1115 0.28,1116 4.195,1117 1.376,1118 3.985,1119 4.04,1120 4.096,1121 3.891,1122 7.427,1123 3.884,1124 3.907,1125 3.942,1126 3.885,1127 3.774,1128 5.037,1129 3.784,1130 3.843,1131 3.897,1132 3.773,1133 3.679,1134 4.976,1135 3.694,1136 3.68,1137 3.751,1138 3.604,1139 3.48,1140 4.628,1141 3.493,1142 3.34,1143 3.408,1144 3.568,1145 3.135,1146 4.363,1147 3.14,1148 3.269,1149 3.347,1150 3.258,1151 3.087,1152 4.289,1153 3.088,1154 3.199,1155 3.283,1156 3.182,1157 2.994,1158 4.17,1159 2.977,1160 3.111,1161 3.206,1162 2.986,1163 2.941,1164 3.95,1165 2.91,1166 0.125,1167 0.112,1168 0.188,1169 0.117,1170 0.089,1171 4.238,1172 0.114,1173 3.824,1174 0.057,1175 6.406,1176 0.287,1177 3.979,1178 0.086,1179 3.012,1180 3.881,1181 1.94,1182 9.742,1183 2.924,1184 1.904,1185 1.884,1186 2.061,1187 2.079,1188 1.418,1189 2.072,1190 1.872,1191 1.818,1192 1.982,1193 2.015,1194 1.271,1195 2.013,1196 1.797,1197 1.739,1198 1.956,1199 1.957,1200 1.152,1201 1.969,1202 1.623,1203 1.557,1204 1.769,1205 1.838,1206 0.837,1207 1.826,1208 1.283,1209 1.214,1210 1.606,1211 1.544,1212 0.825,1213 1.563,1214 1.245,1215 1.173,1216 1.513,1217 1.477,1218 0.781,1219 1.494,1220 1.205,1221 1.12,1222 1.51,1223 1.429,1224 0.749,1225 1.453,1226 1.153,1227 1.064,1228 1.476,1229 1.376,1230 0.643,1231 1.429,1232 4.234,1233 5.549,1235 7.057,1237 8.646,1239 10.274,1241 2.096,1242 12.203,1247 7.577,1248 3.229,1251 0.139,1252 6.483,1257 36.82,1258 96.853,1259 203.849,1260 271.302,1261 304.321,1262 312.321,1263 312.321,1264 56.107,1265 7.801,1266 64.6,1267 64.6,1268 24,1269 12.494,1270 3.807,1271 3,1272 49.75,1273 151,1274 145,1275 0.158,1276 233.164,1277 404.65,1278 560.681,1279 29873,1280 3.4,1281 21.794,1282 0.703,1283 0.621,1284 22.794,1285 19.24,1286 14.991,1287 0.441,1288 0.338,1289 10.627,1290 13.822,1291 10.325,1292 8.479,1293 15.569,1294 11.481,1295 13.591,1296 0.289,1297 0.193,1298 14.371,1299 9.085,1300 11.325,1301 0.189,1302 0.109,1303 11.941,1304 6.569,1305 9.115,1306 0.123,1307 0.064,1308 9.811,1309 4.707,1310 7.234,1311 0.079,1312 0.035,1313 7.592,1314 3.195,1315 0.255,1316 100.039,1317 0.21,1318 29.765,1319 0.41,1320 162,1321 450.701,1322 207.548,1323 495.051,1324 653.75,1325 462,1326 188,1327 429.728,1328 225.505,1329 453.888,1330 662.82,1331 426,1332 6.523}
{0 CHEMBL372251,1 1.252,2 12.9,3 6.159,4 37.938,5 126.798,6 6.131,7 0.531,8 4.227,9 4.375,10 3.625,11 3.766,12 5.153,13 3.695,14 4.795,15 5.018,16 3.915,17 4.135,18 5.63,19 4.027,20 5.073,21 5.346,22 3.96,23 4.274,24 5.825,25 4.136,26 5.118,27 5.395,28 3.902,29 4.289,30 5.854,31 4.124,32 5.166,33 5.462,34 3.85,35 4.291,36 5.865,37 4.112,38 5.126,39 5.417,40 3.859,41 4.278,42 5.817,43 4.103,44 5.102,45 5.38,46 3.835,47 4.265,48 5.853,49 4.092,50 5.118,51 5.421,52 3.765,53 4.224,54 5.81,55 4.034,56 0.082,57 0.946,58 15.986,59 6.306,60 11.332,61 9.365,62 0.238,63 1.519,64 28.048,65 10.18,66 23.394,67 15.449,68 0.294,69 1.856,70 36.624,71 12.345,72 30.156,73 19.37,74 0.297,75 1.901,76 38.009,77 13.517,78 32.839,79 20.771,80 0.337,81 1.932,82 39.701,83 13.866,84 35.004,85 21.412,86 0.258,87 1.861,88 37.894,89 13.905,90 30.454,91 21.19,92 0.307,93 1.859,94 37.41,95 13.223,96 35.707,97 20.335,98 0.263,99 1.801,100 37.417,101 13.568,102 33.519,103 20.766,104 20,105 41,106 0.2,107 0.488,108 0.691,109 0.816,110 0.839,111 0.839,112 3.44,113 1.076,114 -6.56,115 -6.38,116 -5.92,119 39.4,120 3,121 5,125 3,127 1,138 9,139 2,142 1,143 1,145 1,163 14,165 1,166 8,169 1,171 3,172 15,176 6,181 2,183 11,187 7,190 1,192 3,194 12,198 5,201 1,203 2,205 12,209 6,214 1,217 13,220 1,221 6,226 3,227 14,231 3,236 2,238 11,241 1,242 5,247 2,249 14,252 1820,253 20.723,254 20.723,255 20.723,256 20.723,257 20.723,258 18.713,259 24.86,260 12.715,261 21.089,262 15.719,263 15.719,264 15.719,265 15.719,266 15.719,267 12.742,268 32.882,269 5.931,270 16.249,271 4.793,272 2.993,273 1.723,274 0.937,275 0.792,276 0.792,277 4.127,283 1,284 807,285 4.183,288 274.027,292 147.049,295 2.227,296 14.207,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 62,308 387,309 4.536,310 3.164,311 6.543,312 4.053,313 3.09,314 4.473,315 0.8,316 10.378,317 2.98,318 3.898,319 2.785,320 5.354,321 3.527,322 2.528,323 3.445,324 0.4,325 6.993,326 2.525,327 3.647,328 2.73,329 5.35,330 3.413,331 2.474,332 3.069,334 6.835,335 2.335,336 3.58,337 2.565,338 5.281,339 3.3,340 2.363,341 2.902,343 6.742,344 2.201,345 3.445,346 2.454,347 5.269,348 3.242,349 2.282,350 2.457,352 6.63,353 2.185,354 3.171,355 1.982,356 4.861,357 2.889,358 1.927,359 2.23,361 5.444,362 1.85,363 2.946,364 1.624,365 3.897,366 2.554,367 1.558,368 2.122,370 3.304,371 1.552,372 2.896,373 1.44,374 3.663,375 2.408,376 1.417,377 2.081,379 3.107,380 1.403,381 2.5,382 1.258,383 3.6,384 2.169,385 1.186,386 1.5,388 2.756,389 1.163,390 2.489,391 1.114,392 3.37,393 2.067,394 1.083,395 1.485,397 2.351,398 1.064,399 2.207,400 1,401 3.278,402 2,403 1,404 1.178,406 2.136,407 1,408 2.119,409 0.954,410 3.247,411 1.899,412 0.919,413 1.091,415 2.108,416 0.899,417 1.618,418 0.744,419 2.856,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.367,427 0.29,428 2.684,429 1.121,430 0.158,431 0.167,433 0.296,434 0.152,435 1.196,436 0.216,437 2.618,438 1.022,439 0.041,440 0.049,442 0.097,443 0.04,444 14.6,445 0.487,446 0.482,447 0.016,448 34.75,449 1.158,450 16.5,451 0.55,452 18.25,453 0.608,454 30.294,455 1.01,456 33.4,457 0.506,458 23.19,459 0.773,460 6.319,461 0.211,462 8.371,463 0.279,464 0.103,466 0.233,472 0.986,473 1.432,474 1.015,475 1.217,476 0.993,477 1.135,478 1.12,479 1.205,480 1.035,481 1.096,482 0.788,483 1.066,484 1.498,485 1.013,486 1.015,487 0.908,488 1.101,489 0.923,490 1.17,491 1.111,492 1.056,493 1.056,494 1.103,495 1.049,496 1.305,497 0.916,498 1.031,499 0.916,500 1.282,501 0.947,502 1.017,503 1.015,504 0.954,505 0.969,506 0.908,507 0.958,508 1.301,509 1.063,510 1.124,511 1.056,512 1.269,513 1.074,514 1.034,515 0.97,516 0.941,517 0.934,518 1.033,519 0.932,520 5,521 0.169,522 2.222,523 1.563,524 1.018,525 0.861,526 0.446,527 0.314,528 0.254,529 0.234,530 12360,531 22642,532 2.051,533 54.5,534 4,535 16,538 1,539 2,540 13,542 1.729,543 1.957,544 3.628,545 -0.448,550 82.601,551 1.252,552 3.051,553 4.322,554 5.107,555 5.253,556 5.253,557 3.083,558 4.348,559 4.871,560 3.84,561 1670.37,562 8.507,563 24585.7,568 398.93,569 1.212,570 4.855,571 0.156,572 0.005,573 0.054,574 0.037,575 0.027,576 0.024,577 0.012,578 0.009,579 0.008,580 0.007,581 0.339,582 0.33,583 0.75,584 1.738,585 157.082,586 0.065,587 -0.171,588 0.055,589 -0.053,590 0.017,591 -0.009,592 0.154,593 -0.061,594 0.013,595 -0.053,596 0.21,597 -0.035,598 -0.113,599 0.046,600 0.015,601 0.058,602 -0.001,603 0.048,604 0.004,605 -0.085,606 -0.048,607 -0.077,608 -0.004,609 -0.068,610 -0.074,611 0.082,612 -0.028,613 0.034,614 -0.137,615 0.011,616 -0.006,617 -0.032,618 0.033,619 0.011,620 0.05,621 0.022,622 -0.08,623 -0.033,624 -0.114,625 -0.084,626 -0.08,627 -0.098,628 -0.013,629 -0.012,630 0.039,631 0.026,632 -0.01,633 0.035,634 0.948,635 1.915,636 0.533,637 37.378,638 0.978,639 1.131,640 5.331,641 28.415,642 0.639,643 3.497,644 3.738,645 3.951,646 4.159,647 4.357,648 4.394,649 4.477,650 4.575,651 4.673,652 4.7,653 7.695,654 0.584,655 404.66,656 3.497,657 4.99,658 5.802,659 6.64,660 7.47,661 8.319,662 9.16,663 10.017,664 10.866,665 11.729,666 6.1,669 1,671 1,676 2,680 2,681 9,682 2,686 3,688 17,697 1,703 66,705 17,706 2,707 32,709 68,710 26,711 14,712 3,713 9,717 3,718 4,721 3,727 6,729 14,730 12,747 36,748 4,749 1,750 4,755 4,760 0.667,771 1,776 3,780 1,792 1,796 2,801 3,805 30,810 8,811 1,814 1,815 1,832 15.333,833 12.433,834 6.972,835 4.632,836 3.176,837 1.432,838 0.953,839 8.8,840 10.531,841 3.726,842 4.248,843 4.794,844 5.362,845 5.922,846 6.116,847 6.453,848 6.803,849 7.139,850 7.118,851 0.889,852 42,853 11.123,854 4.45,855 7.372,856 22.251,857 17.855,859 1.872,860 56.167,864 411.989,865 143.31,866 54.706,871 143.31,872 411.989,873 54.706,874 26.476,875 18.99,876 85.286,877 51.582,878 13.355,879 2.328,880 411.989,882 411.989,883 198.016,887 261.292,888 153.024,891 50.734,892 93.373,893 51.582,895 411.989,896 54.706,897 143.31,900 411.989,901 31.548,902 114.886,903 18.011,904 33.571,905 411.989,906 54.706,907 143.31,909 0.554,910 0.32,911 0.169,912 0.088,913 16,914 7,915 0.176,916 12,917 1,918 1.125,919 4.271,920 244.851,921 0.125,922 16,923 137.207,928 22.401,929 11.786,930 6.886,931 2.139,932 54.706,933 18.982,934 9.739,938 3.284,940 18.011,941 610.005,942 40.5,952 64.545,953 74.636,954 0.207,955 0.505,956 0.715,957 0.845,958 0.869,959 0.869,960 4.914,961 1.417,962 5.733,963 3.304,964 4.419,965 4.934,966 0.824,967 6.454,968 4.354,969 6.065,970 1.186,971 7.229,972 3.107,973 3.761,974 4.543,975 0.325,976 7.182,977 3.635,978 7.328,979 1.083,980 8.825,981 2.756,982 5.916,983 7.079,984 0.413,985 10.261,986 5.778,987 8.629,988 1,989 10.483,990 2.351,991 6.111,992 7.601,993 0.268,994 11.877,995 5.911,996 9.968,997 0.919,998 12.184,999 2.136,1000 7.675,1001 9.577,1002 0.246,1003 14.465,1004 7.466,1005 11.334,1006 0.618,1007 13.915,1008 2.108,1009 8.302,1010 10.577,1011 0.188,1012 16.482,1013 8.038,1014 12.724,1015 0.158,1016 15.67,1017 0.791,1018 9.602,1019 12.294,1020 0.157,1021 18.908,1022 9.323,1023 3.09,1024 0.041,1025 17.443,1026 0.296,1027 10.462,1028 13.546,1029 0.125,1030 21.108,1031 10.135,1032 2.528,1033 10.378,1034 19.233,1035 0.097,1036 11.645,1037 15.141,1038 0.102,1039 23.48,1040 11.297,1041 2.474,1042 6.993,1043 21.036,1044 4.473,1045 12.63,1046 16.52,1047 0.082,1048 25.76,1049 12.238,1050 2.363,1051 6.835,1052 22.851,1053 3.445,1054 13.765,1055 18.06,1056 0.067,1057 28.112,1058 13.347,1059 2.282,1060 6.742,1061 24.676,1062 3.069,1063 14.817,1064 19.501,1065 0.054,1066 30.426,1067 14.357,1068 1.927,1069 6.63,1070 26.51,1071 2.902,1072 15.937,1073 21.016,1074 0.043,1075 32.771,1076 15.446,1077 1.558,1078 5.444,1079 28.35,1080 2.457,1081 17.022,1082 22.487,1083 0.035,1084 35.1,1085 16.492,1086 12141,1087 16626,1088 21.553,1089 42.205,1090 45.401,1091 45.489,1092 46.869,1093 45.357,1094 45.292,1095 57.73,1096 2.4,1097 119.936,1098 43.898,1099 5.474,1100 5.164,1101 6.345,1102 5.128,1103 5.09,1104 7.473,1105 1.2,1106 17.354,1107 4.98,1108 12.987,1109 1.419,1110 1.422,1111 1.465,1112 1.417,1113 1.415,1114 1.804,1115 0.075,1116 3.748,1117 1.372,1118 4.077,1119 4.115,1120 4.04,1121 3.983,1122 5.049,1123 3.991,1124 3.915,1125 3.948,1126 3.837,1127 3.859,1128 4.75,1129 3.85,1130 3.797,1131 3.87,1132 3.656,1133 3.636,1134 4.476,1135 3.63,1136 3.626,1137 3.703,1138 3.489,1139 3.47,1140 4.352,1141 3.463,1142 3.581,1143 3.641,1144 3.447,1145 3.437,1146 4.255,1147 3.43,1148 3.327,1149 3.407,1150 3.187,1151 3.171,1152 3.968,1153 3.169,1154 3.306,1155 3.403,1156 3.04,1157 3.123,1158 3.928,1159 3.089,1160 3.232,1161 3.317,1162 3.033,1163 3.057,1164 3.892,1165 3.038,1166 0.142,1167 0.099,1168 0.204,1169 0.127,1170 0.097,1171 4.536,1172 0.14,1173 3.164,1174 0.025,1175 6.543,1176 0.324,1177 4.053,1178 0.093,1179 3.09,1180 4.473,1181 0.8,1182 10.378,1183 2.98,1184 2.019,1185 1.99,1186 2.104,1187 2.133,1188 1.344,1189 2.124,1190 1.922,1191 1.891,1192 2.056,1193 2.004,1194 1.306,1195 2.025,1196 1.773,1197 1.705,1198 2.006,1199 1.969,1200 1.175,1201 1.985,1202 1.617,1203 1.546,1204 1.886,1205 1.826,1206 1.112,1207 1.851,1208 1.592,1209 1.529,1210 1.821,1211 1.743,1212 0.999,1213 1.772,1214 1.351,1215 1.256,1216 1.725,1217 1.584,1218 0.869,1219 1.638,1220 1.324,1221 1.251,1222 1.644,1223 1.541,1224 0.848,1225 1.579,1226 1.24,1227 1.163,1228 1.457,1229 1.444,1230 0.594,1231 1.46,1232 4.174,1233 5.434,1235 6.891,1237 8.442,1239 10.047,1241 6.725,1247 8.755,1248 3.674,1251 0.385,1252 2.484,1257 38.514,1258 82.601,1259 201.395,1260 285.242,1261 337.056,1262 346.665,1263 346.665,1264 49.167,1265 7.356,1266 41.05,1267 41.05,1268 18,1269 12.281,1270 4.17,1271 3.248,1272 55.263,1273 132,1274 140,1275 0.193,1276 241.749,1277 411.46,1278 581.628,1279 16494,1281 21.184,1282 0.706,1283 0.626,1284 21.184,1285 18.772,1286 14.69,1287 0.459,1288 0.359,1289 11.397,1290 14.378,1291 11.028,1292 9.271,1293 14.69,1294 11.477,1295 12.195,1296 0.297,1297 0.197,1298 12.195,1299 8.059,1300 9.964,1301 0.195,1302 0.113,1303 9.964,1304 5.747,1305 8.041,1306 0.128,1307 0.062,1308 8.041,1309 3.908,1310 6.186,1311 0.08,1312 0.032,1313 6.186,1314 2.454,1315 0.309,1316 89.978,1317 0.215,1318 28.921,1319 0.514,1320 146,1321 309.268,1322 154.354,1323 311.7,1324 441.87,1325 296,1326 165,1327 335.718,1328 173.493,1329 343.359,1330 498.36,1331 326,1332 5}
{0 CHEMBL372399,1 1.665,2 13.733,3 3.841,4 14.753,5 122.244,6 8.026,7 0.364,8 4.125,9 4.258,10 3.756,11 3.645,12 5.135,13 3.617,14 4.712,15 4.909,16 4.141,17 4.065,18 5.693,19 4.002,20 5.018,21 5.257,22 4.229,23 4.229,24 5.955,25 4.124,26 5.03,27 5.274,28 4.198,29 4.147,30 6.045,31 4.033,32 4.932,33 5.188,34 3.937,35 4.047,36 5.881,37 3.941,38 4.87,39 5.121,40 3.934,41 4.052,42 5.754,43 3.924,44 4.881,45 5.163,46 3.851,47 3.998,48 5.731,49 3.841,50 4.744,51 5.038,52 3.857,53 3.823,54 5.627,55 3.699,56 0.045,57 0.862,58 11.044,59 4.707,60 6.192,61 6.57,62 0.351,63 1.383,64 23.793,65 8.178,66 25.513,67 11.658,68 0.496,69 1.632,70 39.267,71 11.749,72 43.485,73 16.723,74 0.705,75 1.552,76 46.228,77 11.431,78 74.483,79 15.951,80 0.646,81 1.456,82 35.808,83 9.965,84 63.961,85 14.296,86 0.464,87 1.41,88 33.474,89 9.991,90 41.848,91 14.614,92 0.452,93 1.338,94 35.606,95 10.864,96 47.783,97 15.953,98 0.481,99 1.136,100 32.951,101 8.84,102 40.485,103 13.274,104 10,105 45,106 0.275,107 0.587,108 0.758,109 0.849,110 0.872,111 0.872,112 3.44,113 1.012,114 -4.92,115 -4.83,116 -4.53,119 37.5,121 3,125 6,127 1,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 4,166 2,169 1,171 4,172 8,175 1,176 2,179 2,181 2,183 3,187 4,190 2,192 3,194 4,197 3,198 3,205 1,209 6,212 1,214 1,217 3,220 2,221 4,224 1,231 10,234 2,238 1,242 4,245 1,252 1584,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 18.797,259 29.674,260 12.151,261 21.124,262 16.276,263 16.276,264 16.276,265 16.276,266 16.276,267 13.769,268 43.148,269 5.778,270 17.491,271 4.142,272 2.262,273 1.227,274 0.679,275 0.536,276 0.536,277 4.138,279 2,282 1,283 1,284 893,285 3,288 430.239,295 2.351,296 29.003,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 64.667,308 412,309 4.237,310 3.836,311 6.396,312 3.956,313 3,314 3.881,315 1.985,316 9.692,317 2.881,318 4.18,319 3.269,320 6.163,321 3.809,322 2.875,323 3.725,324 0.8,325 9.147,326 2.658,327 4.089,328 3.127,329 6.059,330 3.756,331 2.83,332 3.27,333 0.657,334 8.708,335 2.599,336 3.61,337 2.766,338 5.332,339 3.337,340 2.402,341 2.839,342 0.624,343 6.89,344 2.241,345 3.451,346 2.604,347 5.216,348 3.11,349 2.18,350 2.748,351 0.375,352 6.317,353 2.026,354 3.226,355 2.456,356 4.955,357 2.981,358 2.095,359 2.256,361 5.8,362 1.777,363 2.876,364 2.184,365 4.346,366 2.582,367 1.623,368 1.991,370 4.134,371 1.553,372 2.821,373 2.019,374 4.165,375 2.394,376 1.482,377 1.905,379 3.743,380 1.313,381 2.65,382 1.587,383 3.864,384 2.311,385 1.378,386 1.669,388 3.23,389 1.235,390 2.386,391 1.433,392 3.493,393 2.067,394 1.116,395 1.371,397 2.566,398 1.058,399 2.053,400 1.162,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 2,409 1.159,410 3.324,411 1.959,412 1,413 1,415 2.136,416 0.956,417 2,418 1.146,419 3.247,420 1.729,421 0.749,422 0.885,424 1.782,425 0.715,426 1.962,427 0.994,428 3.236,429 1.664,430 0.708,431 0.852,433 1.715,434 0.662,435 1.261,436 0.436,437 2.581,438 0.863,444 14.662,445 0.489,446 0.661,447 0.022,448 35.25,449 1.175,450 14.5,451 0.483,452 20.75,453 0.692,454 28.633,455 0.954,456 33.338,457 0.595,458 24.923,459 0.831,460 6.629,461 0.221,462 7.969,463 0.266,464 0.12,466 0.293,472 0.748,473 1.612,474 0.606,475 1.056,476 0.538,477 0.975,478 0.802,479 1.124,480 0.708,481 0.897,482 0.551,483 0.946,484 0.965,485 1.077,486 0.865,487 0.952,488 0.883,489 0.964,490 1.323,491 1.043,492 0.951,493 0.982,494 1.667,495 1.017,496 1.289,497 0.867,498 0.816,499 0.777,500 1.626,501 0.887,502 0.84,503 1.064,504 0.83,505 1.017,506 0.721,507 1.06,508 0.593,509 0.986,510 0.712,511 0.906,512 0.433,513 0.931,514 0.605,515 0.833,516 0.607,517 0.753,518 0.479,519 0.727,520 5.5,521 0.136,522 3.556,523 1.75,524 1.289,525 0.792,526 0.422,527 0.46,528 0.312,529 0.166,530 13553,531 37850,532 2.107,533 46.4,534 2,535 17,537 1,538 2,540 4,542 1.723,543 2,544 3.726,545 0.276,547 1,550 93.252,551 1.665,552 3.545,553 4.58,554 5.129,555 5.272,556 5.272,557 3.203,558 4.548,559 4.877,560 3.903,561 1698.01,562 8.478,563 24773.3,565 1,568 325.212,569 1.295,570 4.851,571 0.167,572 0.005,573 0.079,574 0.038,575 0.033,576 0.022,577 0.012,578 0.015,579 0.01,580 0.006,581 0.388,582 0.17,583 1,584 0.496,585 157.54,586 -0.053,587 -0.312,588 0.023,589 -0.082,590 0.005,591 -0.018,592 0.044,593 0.066,594 0.012,595 0.022,596 0.071,597 -0.018,598 -0.022,599 -0.049,600 0.007,601 -0.004,602 0.013,603 -0.003,604 -0.102,605 -0.064,606 -0.011,607 -0.049,608 -0.153,609 -0.08,610 -0.16,611 0.129,612 -0.054,613 0.111,614 -0.21,615 0.035,616 -0.022,617 -0.042,618 -0.046,619 -0.083,621 -0.096,622 0.14,623 -0.055,624 0.098,625 0.042,626 0.183,627 0.064,628 0.226,629 0.081,630 0.257,631 0.177,632 0.211,633 0.253,634 1.439,635 5.703,636 0.8,637 35.52,638 1.005,639 1.137,640 3.69,641 13.618,642 0.671,643 3.526,644 3.829,645 4.078,646 4.277,647 4.489,648 4.477,649 4.575,650 4.682,651 4.787,652 4.883,653 7.912,654 0.63,655 449.43,656 3.526,657 5.056,658 5.894,659 6.751,660 7.6,661 8.459,662 9.312,663 10.173,664 11.028,665 11.888,666 10.7,668 1,671 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,697 1,699 1,702 2,703 56,705 13,706 1,707 33,709 59,710 21,711 10,712 3,713 3,717 4,718 4,719 2,724 4,727 4,729 11,730 10,733 1,737 1,741 1,744 1,747 26,748 7,749 2,750 9,751 2,755 6,760 1,761 1,771 1,776 4,784 1,791 1,796 4,802 2,805 30,810 9,811 2,814 1,815 2,824 2,825 1.8,828 1,832 15,833 9.752,834 6.611,835 3.552,836 2.261,837 1.293,838 0.98,839 7.31,840 9.968,841 3.714,842 4.22,843 4.687,844 5.109,845 5.552,846 5.565,847 5.727,848 6.018,849 6.379,850 6.717,851 1,852 46,853 11.131,854 4.726,855 7.669,856 21.596,857 17.964,859 2.169,860 65.056,863 1,864 282.506,865 86.309,866 75.841,867 78.297,868 25.145,871 86.309,872 385.949,873 75.841,875 23.362,876 55.916,877 93.202,878 22.359,879 4.227,880 270.735,881 78.297,882 282.506,883 162.15,884 25.145,885 78.297,887 235.422,888 72.229,891 52.319,892 58.249,893 129.879,895 282.506,896 100.986,897 164.606,900 282.506,901 39.356,902 53.201,903 36.022,904 137.013,905 282.506,906 100.986,907 164.606,909 0.579,910 0.337,911 0.175,912 0.093,913 21,914 9,915 0.085,916 5,918 1,919 4.288,920 257.098,922 24,923 143.207,928 21.628,929 10.14,930 5.566,932 100.986,933 9.033,934 9.06,938 3.591,940 36.022,941 548.099,942 40,946 12.703,950 0.227,952 56.305,953 63.654,954 0.287,955 0.61,956 0.789,957 0.883,958 0.908,959 0.908,960 4.956,961 1.482,962 5.861,963 4.134,964 4.511,965 4.905,966 2.339,967 6.627,968 4.37,969 6.11,970 1.378,971 7.394,972 3.743,973 4.007,974 4.59,975 1.738,976 7.431,977 3.73,978 7.386,979 1.116,980 9.027,981 3.23,982 6.066,983 6.94,984 3.123,985 10.497,986 5.799,987 8.692,988 1,989 10.717,990 2.566,991 6.382,992 7.424,993 3.217,994 12.117,995 5.998,996 10.03,997 1,998 12.445,999 2.275,1000 7.888,1001 9.268,1002 4.294,1003 14.678,1004 7.5,1005 11.389,1006 0.749,1007 14.198,1008 2.136,1009 8.587,1010 10.122,1011 4.678,1012 16.635,1013 8.105,1014 12.764,1015 0.708,1016 15.969,1017 1.782,1018 9.854,1019 11.744,1020 5.58,1021 19.009,1022 9.35,1023 3,1025 17.753,1026 1.715,1027 10.742,1028 12.793,1029 6.104,1030 21.116,1031 10.162,1032 2.875,1033 9.692,1034 19.547,1036 11.901,1037 14.3,1038 6.909,1039 23.414,1040 11.287,1041 2.83,1042 9.147,1043 21.348,1044 3.881,1045 12.883,1046 15.461,1047 7.507,1048 25.591,1049 12.205,1050 2.402,1051 8.708,1052 23.155,1053 3.725,1054 13.992,1055 16.903,1056 8.258,1057 27.858,1058 13.276,1059 2.18,1060 6.89,1061 24.968,1062 3.27,1063 15.021,1064 18.132,1065 8.895,1066 30.069,1067 14.248,1068 2.095,1069 6.317,1070 26.784,1071 2.839,1072 16.11,1073 19.535,1074 9.617,1075 32.324,1076 15.295,1077 1.623,1078 5.8,1079 28.603,1080 2.748,1081 17.162,1082 20.806,1083 10.276,1084 34.553,1085 16.297,1086 12775,1087 21589,1088 22.364,1089 37.58,1090 49.243,1091 50.465,1092 50.057,1093 49.28,1094 48.873,1095 58.787,1096 8.885,1097 136.266,1098 45.279,1099 5.237,1100 5.836,1101 6.198,1102 5.03,1103 5,1104 6.881,1105 3.458,1106 16.454,1107 4.881,1108 12.861,1109 1.492,1110 1.529,1111 1.517,1112 1.493,1113 1.481,1114 1.781,1115 0.269,1116 4.129,1117 1.372,1118 3.98,1119 4.034,1120 4.096,1121 3.891,1122 7.427,1123 3.884,1124 3.901,1125 3.937,1126 3.879,1127 3.75,1128 5.033,1129 3.764,1130 3.83,1131 3.886,1132 3.758,1133 3.664,1134 4.976,1135 3.678,1136 3.685,1137 3.752,1138 3.601,1139 3.507,1140 4.629,1141 3.514,1142 3.32,1143 3.379,1144 3.562,1145 3.119,1146 4.367,1147 3.129,1148 3.241,1149 3.307,1150 3.245,1151 3.077,1152 4.272,1153 3.072,1154 3.111,1155 3.206,1156 3.168,1157 2.941,1158 4.197,1159 2.91,1160 3.055,1161 3.161,1162 2.898,1163 2.827,1164 4.016,1165 2.816,1166 0.128,1167 0.116,1168 0.194,1169 0.12,1170 0.091,1171 4.237,1172 0.118,1173 3.836,1174 0.06,1175 6.396,1176 0.294,1177 3.956,1178 0.087,1179 3,1180 3.881,1181 1.985,1182 9.692,1183 2.881,1184 1.906,1185 1.885,1186 2.051,1187 2.073,1188 1.391,1189 2.063,1190 1.855,1191 1.797,1192 1.983,1193 2.007,1194 1.268,1195 2.009,1196 1.784,1197 1.725,1198 1.951,1199 1.953,1200 1.154,1201 1.965,1202 1.645,1203 1.583,1204 1.789,1205 1.84,1206 0.835,1207 1.835,1208 1.258,1209 1.203,1210 1.513,1211 1.498,1212 0.825,1213 1.495,1214 1.209,1215 1.145,1216 1.511,1217 1.431,1218 0.806,1219 1.446,1220 1.153,1221 1.064,1222 1.451,1223 1.376,1224 0.609,1225 1.429,1226 1.052,1227 0.955,1228 1.377,1229 1.334,1230 0.583,1231 1.365,1232 4.205,1233 5.509,1235 7.013,1237 8.598,1239 10.222,1242 12.198,1247 7.538,1248 6.639,1251 -0.02,1252 4.086,1257 35.293,1258 93.252,1259 198.527,1260 256.483,1261 287.212,1262 295.212,1263 295.212,1264 53.102,1265 7.707,1266 73.39,1267 73.39,1268 24,1269 12.439,1270 3.807,1271 3,1272 47.344,1273 142,1274 136,1275 0.159,1276 223.572,1277 387.35,1278 537.276,1279 26538,1280 3.6,1281 20.924,1282 0.697,1283 0.61,1284 21.924,1285 18.293,1286 14.597,1287 0.442,1288 0.337,1289 10.296,1290 13.471,1291 10.073,1292 8.249,1293 15.175,1294 11.135,1295 12.958,1296 0.288,1297 0.189,1298 13.737,1299 8.49,1300 10.998,1301 0.19,1302 0.107,1303 11.614,1304 6.187,1305 8.817,1306 0.124,1307 0.061,1308 9.513,1309 4.335,1310 6.985,1311 0.079,1312 0.034,1313 7.344,1314 2.991,1315 0.257,1316 97.433,1317 0.211,1318 28.982,1319 0.414,1320 156,1321 439.388,1322 201.52,1323 483.881,1324 640.49,1325 452,1326 181,1327 422.376,1328 218.255,1329 443.825,1330 650.92,1331 419,1332 6.42}
{0 CHEMBL372670,1 1.663,2 11.625,3 4.652,4 21.644,5 101.376,6 8.029,7 0.48,8 3.902,9 4.03,10 3.524,11 3.409,12 4.952,13 3.373,14 4.44,15 4.644,16 3.862,17 3.748,18 5.469,19 3.68,20 4.637,21 4.869,22 3.922,23 3.872,24 5.575,25 3.769,26 4.666,27 4.892,28 3.922,29 3.837,30 5.657,31 3.697,32 4.684,33 4.982,34 3.55,35 3.724,36 5.47,37 3.567,38 4.529,39 4.805,40 3.666,41 3.625,42 5.461,43 3.519,44 4.342,45 4.574,46 3.626,47 3.582,48 5.354,49 3.495,50 4.321,51 4.549,52 3.629,53 3.54,54 5.369,55 3.443,56 0.028,57 0.651,58 9.117,59 3.977,60 6.008,61 5.458,62 0.315,63 0.964,64 19.673,65 6.48,66 25.544,67 8.986,68 0.336,69 1.059,70 28.824,71 8.236,72 28.413,73 11.384,74 0.538,75 1.041,76 34.963,77 8.901,78 46.432,79 12.095,80 0.392,81 1.047,82 29.821,83 8.769,84 34.217,85 12.695,86 0.441,87 0.924,88 27.449,89 6.86,90 37.847,91 10.057,92 0.284,93 0.847,94 19.474,95 5.538,96 25.837,97 8.033,98 0.336,99 0.796,100 20.259,101 5.177,102 32.474,103 7.687,104 25,105 32,106 0.29,107 0.586,108 0.754,109 0.837,110 0.837,111 0.837,112 3.227,113 1.048,114 -5.24,115 -5.13,116 -4.8,119 37,120 2,125 5,138 4,139 1,140 2,141 1,143 1,146 1,163 2,165 2,166 6,169 2,172 7,176 1,179 1,183 3,186 1,187 4,190 1,192 1,194 5,197 2,198 1,203 2,205 1,209 5,214 1,217 3,220 1,221 6,226 1,231 4,236 3,238 1,242 3,249 2,252 898,253 16.24,254 16.24,255 16.24,256 16.24,257 16.24,258 14.687,259 23.361,260 9.77,261 16.995,262 12.198,263 12.198,264 12.198,265 12.198,266 12.198,267 9.907,268 31.89,269 4.485,270 13.443,271 3.861,272 2.165,273 1.207,274 0.728,275 0.728,276 0.728,277 3.892,279 2,282 1,283 1,284 567,285 3.536,288 177.44,295 1.99,296 19.8,298 1,299 1,300 1,301 0.83,302 1,303 1,304 1,305 1,306 0.98,307 51.667,308 279,309 4.234,310 3.289,311 6.06,312 3.791,313 2.863,314 3.881,315 1.151,316 8.714,317 2.627,318 4.065,319 2.95,320 5.595,321 3.594,322 2.686,323 3.668,324 0.8,325 7.731,326 2.434,327 3.488,328 2.792,329 5.271,330 3.358,331 2.442,332 2.787,333 0.4,334 6.647,335 2.235,336 3.446,337 2.735,338 5.004,339 3.049,340 2.166,341 2.616,343 6.003,344 1.892,345 3.339,346 2.454,347 4.934,348 2.929,349 2.04,350 2.43,352 5.742,353 1.752,354 2.85,355 2.026,356 4.171,357 2.377,358 1.481,359 1.981,361 3.768,362 1.252,363 2.695,364 1.47,365 3.544,366 2.224,367 1.294,368 1.78,370 2.785,371 1.194,372 2.216,373 1.196,374 3.384,375 2.037,376 1.086,377 1.2,379 2.338,380 1.03,381 1.963,382 1.081,383 3.234,384 1.63,385 0.746,386 0.881,388 1.732,389 0.635,390 1.618,391 0.744,392 2.665,393 1.591,394 0.618,395 0.618,397 0.791,398 0.6,399 1.273,400 0.533,401 2.618,402 1.114,403 0.172,404 0.181,406 0.302,407 0.162,408 1.243,409 0.369,410 2.541,411 0.842,417 0.802,418 0.256,419 2.359,420 0.544,421 -0.411,422 -0.449,424 -0.727,425 -0.293,426 0.777,427 -0.248,428 2,429 0.277,430 -0.514,431 -0.621,433 -1.242,434 -0.39,435 0.648,436 -0.331,437 1.892,438 0.207,439 -0.672,440 -0.832,442 -1.601,443 -0.565,444 11.862,445 0.494,446 0.468,447 0.02,448 28.75,449 1.198,450 13,451 0.542,452 15.75,453 0.656,454 20.668,455 0.861,456 27.138,457 0.59,458 18.791,459 0.783,460 5.668,461 0.236,462 5.95,463 0.248,464 0.205,466 0.244,472 0.795,473 1.635,474 0.606,475 1.099,476 0.712,477 1.022,478 0.979,479 1.008,480 0.68,481 0.797,482 0.655,483 0.856,484 1.163,485 0.97,486 0.927,487 0.871,488 0.955,489 0.885,490 0.975,491 1.138,492 0.977,493 1.149,494 0.968,495 1.153,496 0.779,497 0.831,498 0.575,499 0.728,500 0.727,501 0.783,502 0.904,503 0.899,504 0.699,505 0.729,506 0.813,507 0.718,508 1.073,509 1.12,510 0.779,511 0.792,512 1.062,513 0.859,514 0.995,515 1.049,516 0.89,517 0.975,518 1.047,519 1.012,520 5,521 0.083,522 2.222,523 1.188,524 0.836,525 0.549,526 0.264,527 0.325,528 0.229,529 0.127,530 6609,531 19483,532 1.972,533 47.8,535 14,537 1,538 1,540 6,542 1.664,543 1.846,544 3.503,545 -0.26,550 76.489,551 1.663,552 3.358,553 4.317,554 4.795,555 4.795,556 4.795,557 2.959,558 4.002,559 4.555,560 3.691,561 1018.68,562 7.835,563 12826.5,565 1,568 254.084,569 1.384,570 4.513,571 0.2,572 0.007,573 0.069,574 0.037,575 0.032,576 0.024,577 0.011,578 0.013,579 0.01,580 0.008,581 0.411,582 0.33,583 1,584 1.685,585 117.48,586 -0.036,587 -0.345,588 0.018,589 -0.13,590 -0.044,591 -0.056,592 0.045,593 0.137,594 0.065,595 0.112,596 0.177,597 0.065,598 -0.121,599 0.068,600 0.006,601 0.078,602 -0.009,603 0.065,604 0.135,605 -0.152,606 0.001,607 -0.177,608 0.094,609 -0.19,610 0.041,611 0.082,612 0.135,613 0.161,614 0.037,615 0.171,616 0.07,617 0.066,618 0.143,619 0.168,620 0.119,621 0.218,622 -0.098,623 -0.019,624 0.01,625 0.101,626 -0.08,627 0.058,628 -0.009,629 0.065,630 -0.025,631 -0.074,632 -0.008,633 -0.097,634 1.175,635 2.194,636 0.5,637 24.319,638 1.005,639 1.136,640 4.011,641 16.088,642 0.67,643 3.258,644 3.497,645 3.664,646 3.784,647 3.912,648 3.871,649 3.85,650 3.951,651 4.007,652 4.043,653 6.935,654 0.624,655 369.33,656 3.258,657 4.745,658 5.541,659 6.365,660 7.174,661 8.001,662 8.816,663 9.646,664 10.464,665 11.296,666 8.7,669 1,671 1,676 2,681 5,682 2,686 5,688 12,697 1,701 1,702 2,703 46,705 12,706 1,707 25,709 47,710 17,711 10,712 3,713 3,717 2,718 2,719 2,721 2,729 10,730 7,744 1,747 22,748 5,749 1,750 7,751 2,755 4,760 1,761 1,771 1,776 2,792 1,796 2,801 2,802 2,805 24,810 5,811 1,812 1,815 1,824 2,825 2.2,830 1,832 13,833 8.719,834 5.611,835 2.977,836 2.223,837 1.338,838 0.934,839 7.89,840 8.795,841 3.466,842 3.97,843 4.425,844 4.868,845 5.324,846 5.274,847 5.319,848 5.646,849 6.011,850 6.336,851 0.875,852 32,853 8.816,854 3.479,855 7.669,856 16.92,857 12.895,859 2.169,860 52.056,863 1,864 247.193,865 94.519,866 54.706,867 78.297,868 11,871 94.519,872 336.49,873 54.706,874 17.65,875 13.015,876 37.905,877 63.353,878 33.358,879 6.714,880 235.422,881 78.297,882 247.193,883 149.225,884 11,885 78.297,887 176.567,888 81.626,891 44.736,892 52.906,893 129.879,895 247.193,896 65.706,897 172.816,900 247.193,901 29.916,902 67.727,903 18.011,904 122.868,905 247.193,906 65.706,907 172.816,909 0.56,910 0.322,911 0.156,912 0.075,913 12,914 6,915 0.191,916 9,918 1,919 3.702,920 171.076,922 12,923 106.039,928 19.096,929 9.916,930 6.306,932 65.706,933 8.717,934 8.559,938 3.096,940 18.011,941 485.715,942 31,952 46.218,953 52.243,954 0.301,955 0.608,956 0.782,957 0.868,958 0.868,959 0.868,960 4.654,961 1.086,962 5.485,963 2.785,964 4.174,965 4.654,966 1.595,967 6.18,968 3.98,969 5.81,970 0.746,971 6.978,972 2.338,973 3.611,974 4.311,975 0.325,976 6.862,977 3.214,978 7.074,979 0.618,980 8.564,981 1.732,982 5.666,983 6.732,984 1.613,985 9.843,986 5.297,987 8.371,988 0.172,989 10.201,990 0.791,991 5.889,992 7.165,993 0.268,994 11.296,995 5.324,996 9.696,998 11.87,999 0.302,1000 7.39,1001 9.082,1002 1.779,1003 13.775,1004 6.847,1005 11.041,1006 -0.411,1007 13.562,1009 7.991,1010 9.895,1011 0.188,1012 15.57,1013 7.274,1014 12.401,1015 -0.514,1016 15.268,1017 -0.727,1018 9.243,1019 11.576,1020 1.991,1021 17.858,1022 8.525,1023 2.863,1024 -0.672,1025 16.987,1026 -1.242,1027 10.043,1028 12.6,1029 0.125,1030 19.822,1031 9.172,1032 2.686,1033 8.714,1034 18.714,1035 -1.601,1036 11.177,1037 14.148,1038 2.225,1039 22.031,1040 10.282,1041 2.442,1042 7.731,1043 20.45,1044 3.881,1045 12.083,1046 15.296,1047 0.082,1048 24.082,1049 11.055,1050 2.166,1051 6.647,1052 22.193,1053 3.668,1054 13.161,1055 16.764,1056 2.473,1057 26.257,1058 12.089,1059 2.04,1060 6.003,1061 23.941,1062 2.787,1063 14.124,1064 17.987,1065 0.054,1066 28.355,1067 12.934,1068 1.481,1069 5.742,1070 25.695,1071 2.616,1072 15.176,1073 19.407,1074 2.73,1075 30.516,1076 13.928,1077 1.294,1078 3.768,1079 27.453,1080 2.43,1081 16.171,1082 20.676,1083 0.035,1084 32.639,1085 14.816,1086 6719,1087 11823,1088 16.296,1089 30.807,1090 35.102,1091 36.06,1092 36.64,1093 35.591,1094 35.186,1095 44.047,1096 4.702,1097 93.103,1098 31.627,1099 5.135,1100 5.289,1101 5.678,1102 4.877,1103 4.863,1104 6.881,1105 2.302,1106 14.956,1107 4.627,1108 13.059,1109 1.404,1110 1.442,1111 1.466,1112 1.424,1113 1.407,1114 1.762,1115 0.188,1116 3.724,1117 1.265,1118 3.944,1119 3.972,1120 4.094,1121 3.883,1122 5.073,1123 3.874,1124 3.839,1125 3.888,1126 3.817,1127 3.656,1128 4.993,1129 3.684,1130 3.724,1131 3.797,1132 3.602,1133 3.526,1134 4.633,1135 3.531,1136 3.378,1137 3.462,1138 3.584,1139 3.177,1140 4.443,1141 3.168,1142 3.306,1143 3.407,1144 3.241,1145 3.123,1146 4.32,1147 3.089,1148 3.208,1149 3.25,1150 3.15,1151 3.055,1152 4.063,1153 3.046,1154 2.879,1155 2.969,1156 3.04,1157 2.796,1158 4.035,1159 2.769,1160 2.868,1161 2.922,1162 2.851,1163 2.641,1164 3.892,1165 2.652,1166 0.169,1167 0.132,1168 0.242,1169 0.152,1170 0.115,1171 4.234,1172 0.155,1173 3.289,1174 0.046,1175 6.06,1176 0.349,1177 3.791,1178 0.105,1179 2.863,1180 3.881,1181 1.151,1182 8.714,1183 2.627,1184 1.895,1185 1.88,1186 1.968,1187 2.006,1188 1.217,1189 1.994,1190 1.756,1191 1.7,1192 1.958,1193 1.951,1194 1.133,1195 1.963,1196 1.678,1197 1.609,1198 1.821,1199 1.888,1200 0.938,1201 1.881,1202 1.371,1203 1.287,1204 1.725,1205 1.607,1206 0.869,1207 1.638,1208 1.351,1209 1.256,1210 1.67,1211 1.584,1212 0.753,1213 1.633,1214 1.158,1215 1.116,1216 1.392,1217 1.382,1218 0.572,1219 1.39,1220 0.868,1221 0.824,1222 1.161,1223 1.13,1224 0.279,1225 1.151,1226 0.829,1227 0.736,1228 1.097,1229 1.017,1230 0.168,1231 1.06,1232 3.932,1233 5.187,1235 6.632,1237 8.16,1239 9.729,1241 4.298,1242 12.027,1247 4.121,1248 3.214,1249 5.694,1252 2.329,1257 28.723,1258 76.489,1259 154.474,1260 198.574,1261 220.574,1262 220.574,1263 220.574,1264 40.339,1265 6.572,1266 50.28,1267 50.28,1268 12,1269 11.87,1270 3.7,1271 2.807,1272 48.712,1273 99,1274 90,1275 0.236,1276 189.328,1277 323.51,1278 453.721,1279 6026,1280 4.3,1281 17.364,1282 0.723,1283 0.643,1284 18.364,1285 15.44,1286 11.618,1287 0.465,1288 0.349,1289 7.923,1290 10.567,1291 7.632,1292 6.364,1293 12.195,1294 8.736,1295 9.745,1296 0.305,1297 0.189,1298 10.524,1299 6.04,1300 7.826,1301 0.206,1302 0.111,1303 8.441,1304 4.213,1305 5.926,1306 0.138,1307 0.061,1308 6.622,1309 2.627,1310 4.212,1311 0.086,1312 0.029,1313 4.57,1314 1.408,1315 0.382,1316 78.894,1317 0.248,1318 24.095,1319 0.615,1320 114,1321 353.411,1322 156.436,1323 398.121,1324 520.71,1325 372,1326 127,1327 331.265,1328 159.645,1329 352.454,1330 511.29,1331 331,1332 5.046}
{0 CHEMBL377421,1 1.535,2 12.361,3 8.502,4 72.291,5 142.122,6 7.723,7 0.55,8 4.277,9 4.396,10 3.908,11 3.89,12 5.311,13 3.839,14 4.862,15 5.031,16 4.332,17 4.297,18 6.236,19 4.225,20 5.127,21 5.355,22 4.272,23 4.43,24 6.05,25 4.312,26 5.246,27 5.506,28 4.32,29 4.413,30 6.213,31 4.292,32 5.198,33 5.448,34 4.331,35 4.407,36 6.257,37 4.287,38 5.167,39 5.404,40 4.341,41 4.466,42 6.078,43 4.321,44 5.2,45 5.431,46 4.367,47 4.465,48 6.24,49 4.344,50 5.183,51 5.41,52 4.401,53 4.437,54 6.3,55 4.309,56 0.021,57 1.151,58 13.408,59 6.746,60 16.361,61 8.277,62 0.768,63 2.299,64 29.211,65 11.55,66 137.041,67 14.598,68 0.223,69 2.28,70 38.144,71 15.635,72 41.431,73 20.721,74 0.407,75 2.595,76 48.354,77 17.249,78 72.401,79 22.391,80 0.873,81 2.643,82 46.963,83 16.114,84 104.593,85 19.526,86 0.357,87 2.418,88 47.882,89 17.804,90 60.669,91 21.778,92 0.596,93 2.669,94 48.314,95 17.375,96 101.517,97 20.129,98 0.551,99 2.704,100 48.416,101 17.562,102 88.997,103 20.809,104 11,105 56,106 0.242,107 0.54,108 0.688,109 0.804,110 0.861,111 0.875,112 3.616,113 1.005,114 -7.43,115 -7.21,116 -6.66,119 43.9,121 5,122 1,125 3,131 1,138 11,139 4,140 1,142 1,147 1,155 1,163 21,166 3,169 1,171 3,172 23,175 1,176 4,181 3,183 15,187 7,192 3,194 8,198 7,201 1,203 1,205 9,209 7,217 13,221 7,226 2,227 15,231 5,236 4,238 12,242 3,247 4,249 10,252 2670,253 24.419,254 24.419,255 24.419,256 24.419,257 24.419,258 21.825,259 24.73,260 14.627,261 25.075,262 19.854,263 19.854,264 19.854,265 19.854,266 19.854,267 16.019,268 39.473,269 7.035,270 21.037,271 4.509,272 2.62,273 1.684,274 0.949,275 0.587,276 0.496,277 4.323,284 973,285 4.123,287 102.802,288 470.941,292 176.794,295 1.856,296 40.466,299 0.5,300 0.67,301 0.67,302 0.6,303 0.5,304 0.67,305 1,306 0.66,307 78,308 445,309 4.537,310 4.471,311 7.248,312 4.259,313 3.377,314 4.433,315 3.825,316 12.241,317 3.033,318 4.502,319 3.151,320 6.515,321 4.033,322 3.05,323 3.996,324 0.995,325 10.243,326 3.008,327 4.125,328 3.086,329 5.808,330 3.726,331 2.801,332 3.736,333 0.4,334 8.338,335 2.609,336 3.743,337 2.809,338 5.636,339 3.544,340 2.615,341 2.922,342 0.359,343 7.743,344 2.438,345 3.576,346 2.613,347 5.46,348 3.357,349 2.416,350 2.874,352 7.169,353 2.198,354 3.508,355 2.393,356 5.245,357 3.152,358 2.203,359 2.639,361 6.543,362 2.08,363 3.247,364 2.15,365 5.001,366 2.951,367 2.007,368 2.427,370 5.829,371 1.866,372 3.118,373 1.851,374 4.662,375 2.62,376 1.686,377 2.374,379 4.912,380 1.618,381 3,382 1.618,383 4.136,384 2.618,385 1.618,386 2.151,388 3.756,389 1.556,390 2.786,391 1.544,392 4.09,393 2.461,394 1.463,395 1.902,397 3.364,398 1.459,399 2.763,400 1.383,401 3.615,402 2.306,403 1.325,404 1.849,406 2.984,407 1.295,408 2.582,409 1.33,410 3.593,411 2.265,412 1.268,413 1.615,415 2.827,416 1.263,417 2.403,418 1.272,419 3.574,420 2.116,421 1.152,422 1.399,424 2.822,425 1.092,426 2.342,427 1,428 3.345,429 2,430 1,431 1.278,433 2.136,434 1,435 2.197,436 0.965,437 3.269,438 1.872,439 0.902,440 1.056,442 2.116,443 0.87,444 17.39,445 0.483,446 0.89,447 0.025,448 43,449 1.194,450 20.5,451 0.569,452 22.5,453 0.625,454 37.264,455 1.035,456 39.01,457 0.591,458 33.769,459 0.938,460 7.965,461 0.221,462 9.489,463 0.264,464 0.049,465 0.029,466 0.253,469 3,472 0.553,473 0.975,474 0.726,475 0.956,476 0.545,477 0.936,478 0.422,479 0.835,480 0.851,481 1.025,482 0.309,483 1.021,484 0.501,485 0.912,486 0.814,487 1.023,488 0.405,489 1.067,490 0.795,491 1.003,492 0.848,493 0.964,494 0.684,495 0.934,496 1.207,497 0.838,498 1.059,499 0.806,500 1.189,501 0.887,502 0.695,503 0.895,504 1.136,505 1.091,506 0.632,507 0.979,508 1.266,509 1.01,510 1.225,511 0.998,512 1.25,513 0.975,514 0.913,515 1.087,516 1.22,517 1.211,518 0.908,519 1.082,520 7.5,521 0.19,522 3.111,523 2.819,524 1.347,525 1.15,526 0.678,527 0.633,528 0.446,529 0.341,530 20467,531 53772,532 2.13,533 45.5,534 10,535 17,536 1,538 1,540 1,542 1.778,543 2.028,544 3.531,545 -0.41,550 101.332,551 1.535,552 3.424,553 4.36,554 5.095,555 5.457,556 5.548,557 2.853,558 4.663,559 5.145,560 3.8,561 2393.73,562 9.063,563 39179.3,568 398.93,569 1.355,570 5.112,571 0.188,572 0.005,573 0.056,574 0.052,575 0.025,576 0.022,577 0.013,578 0.012,579 0.008,580 0.008,581 0.388,582 0.5,583 0.63,584 0.586,585 196.692,586 -0.014,587 -0.037,588 0.057,589 0.034,590 -0.057,591 0.037,592 0.414,593 0.172,594 0.048,595 -0.04,596 0.475,597 -0.062,598 0.036,599 -0.133,600 0.016,601 -0.103,602 0.061,603 -0.076,604 0.008,605 -0.145,606 0.112,607 -0.019,608 0.05,609 0.051,610 -0.055,611 0.213,612 -0.022,613 0.164,614 -0.091,615 0.062,616 -0.018,617 -0.043,618 0.009,619 0.007,620 -0.008,621 0.043,622 -0.164,623 0.052,624 -0.107,625 0.056,626 -0.156,627 0.001,628 0.06,629 -0.084,630 -0.043,631 -0.114,632 0.038,633 -0.09,634 5.608,635 5.668,636 0.75,637 38.25,638 1.003,639 1.131,640 6.204,641 38.489,642 0.68,643 3.714,644 4.043,645 4.277,646 4.554,647 4.727,648 4.762,649 4.905,650 5.05,651 5.159,652 5.22,653 7.838,654 0.641,655 509.69,656 3.714,657 5.263,658 6.103,659 6.984,660 7.838,661 8.722,662 9.582,663 10.467,664 11.329,665 12.215,666 4.5,669 1,674 1,676 1,680 2,681 12,682 1,685 1,686 5,688 22,697 1,703 66,705 22,706 3,707 40,709 70,710 29,711 19,712 5,713 11,717 5,718 6,721 1,724 5,725 1,726 1,727 5,729 19,730 10,731 1,745 3,747 30,748 6,749 1,750 7,751 1,755 3,760 0.8,775 1,776 4,780 1,792 1,796 4,799 1,803 3,805 36,810 8,811 1,814 1,815 1,816 1,819 1,824 3,832 17.75,833 11.579,834 7.75,835 4.202,836 4.076,837 1.499,838 1.015,839 7.812,840 12.246,841 3.951,842 4.535,843 5.088,844 5.665,845 6.122,846 6.322,847 6.716,848 7.091,849 7.477,850 7.585,851 0.875,852 54,853 13.824,854 6.334,855 7.822,856 25.916,857 22.029,859 2.322,860 83.583,864 341.362,865 187.446,866 37.921,869 44.88,870 31.278,871 156.168,872 341.362,873 82.801,875 18.99,876 111.888,877 16.786,878 83.547,879 11.771,880 360.869,881 7.76,882 341.362,883 194.089,884 44.88,885 31.278,887 329.591,888 56.651,891 51.142,892 126.162,893 16.786,894 31.278,895 386.242,896 37.921,897 187.446,900 349.121,901 67.799,902 115.012,903 18.011,904 61.666,905 341.362,906 82.801,907 187.446,909 0.581,910 0.327,911 0.183,912 0.096,913 27,914 11,915 0.114,916 8,917 1,918 1.074,919 4.672,920 347.315,921 0.074,922 27,923 173.362,924 1,928 25.081,929 11.213,930 6.413,931 2.278,932 82.801,933 22.277,934 4.802,937 1.526,938 2.435,940 18.011,941 611.609,942 51,952 66.174,953 74.662,954 0.254,955 0.567,956 0.721,957 0.843,958 0.903,959 0.918,960 5.196,961 1.686,962 6.098,963 5.829,964 4.727,965 5.223,966 3.145,967 6.915,968 4.619,969 6.392,970 1.618,971 7.658,972 4.912,973 4.369,974 4.977,975 3.911,976 7.978,977 4.102,978 7.696,979 1.463,980 9.33,981 3.756,982 6.358,983 7.397,984 5.427,985 11.024,986 6.126,987 9.036,988 1.325,989 11.074,990 3.364,991 6.836,992 8.011,993 6.69,994 12.951,995 6.437,996 10.412,997 1.268,998 12.868,999 2.984,1000 8.309,1001 9.9,1002 8.058,1003 15.578,1004 7.928,1005 11.814,1006 1.152,1007 14.697,1008 2.827,1009 9.17,1010 10.938,1011 9.389,1012 17.844,1013 8.642,1014 13.236,1015 1,1016 16.554,1017 2.822,1018 10.448,1019 12.593,1020 10.734,1021 20.359,1022 9.903,1023 3.377,1024 0.902,1025 18.431,1026 2.136,1027 11.486,1028 13.844,1029 12.074,1030 22.758,1031 10.816,1032 3.05,1033 12.241,1034 20.326,1035 2.116,1036 12.694,1037 15.392,1038 13.416,1039 25.247,1040 11.978,1041 2.801,1042 10.243,1043 22.235,1044 4.433,1045 13.813,1046 16.75,1047 14.758,1048 27.7,1049 12.987,1050 2.615,1051 8.338,1052 24.155,1053 3.996,1054 15.001,1055 18.251,1056 16.1,1057 30.188,1058 14.109,1059 2.416,1060 7.743,1061 26.084,1062 3.736,1063 16.158,1064 19.664,1065 17.441,1066 32.664,1067 15.164,1068 2.203,1069 7.169,1070 28.021,1071 2.922,1072 17.345,1073 21.145,1074 18.783,1075 35.155,1076 16.27,1077 2.007,1078 6.543,1079 29.965,1080 2.874,1081 18.522,1082 22.586,1083 20.124,1084 37.643,1085 17.349,1086 19051,1087 31183,1088 27.216,1089 44.898,1090 60.174,1091 59.436,1092 59.726,1093 59.639,1094 59.412,1095 75.54,1096 11.158,1097 170.051,1098 56.109,1099 5.537,1100 6.471,1101 7.05,1102 5.378,1103 5.377,1104 7.433,1105 5.335,1106 19.758,1107 5.033,1108 14.128,1109 1.504,1110 1.486,1111 1.493,1112 1.491,1113 1.485,1114 1.889,1115 0.279,1116 4.251,1117 1.403,1118 4.097,1119 4.123,1120 4.231,1121 4.051,1122 8.513,1123 4.045,1124 3.982,1125 4.019,1126 4.013,1127 3.902,1128 7.999,1129 3.898,1130 3.875,1131 3.92,1132 3.92,1133 3.81,1134 7.999,1135 3.771,1136 3.812,1137 3.844,1138 3.738,1139 3.758,1140 4.944,1141 3.716,1142 3.491,1143 3.555,1144 3.403,1145 3.387,1146 4.794,1147 3.377,1148 3.435,1149 3.488,1150 3.362,1151 3.289,1152 4.696,1153 3.276,1154 3.316,1155 3.363,1156 3.313,1157 3.022,1158 4.344,1159 3.067,1160 3.142,1161 3.219,1162 3.012,1163 3.002,1164 4.296,1165 2.996,1166 0.113,1167 0.112,1168 0.181,1169 0.106,1170 0.084,1171 4.537,1172 0.111,1173 4.471,1174 0.096,1175 7.248,1176 0.306,1177 4.259,1178 0.076,1179 3.377,1180 4.433,1181 3.825,1182 12.241,1183 3.033,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.518,1189 2.138,1190 1.942,1191 1.911,1192 2.12,1193 2.065,1194 1.285,1195 2.082,1196 1.882,1197 1.833,1198 2.029,1199 2,1200 1.223,1201 2.013,1202 1.592,1203 1.537,1204 1.775,1205 1.782,1206 1.031,1207 1.786,1208 1.499,1209 1.46,1210 1.668,1211 1.628,1212 0.858,1213 1.645,1214 1.319,1215 1.289,1216 1.551,1217 1.496,1218 0.825,1219 1.515,1220 1.28,1221 1.229,1222 1.513,1223 1.44,1224 0.708,1225 1.44,1226 1.153,1227 1.083,1228 1.407,1229 1.403,1230 0.623,1231 1.429,1232 4.394,1233 5.72,1234 2.398,1235 7.232,1236 4.595,1237 8.828,1238 6.555,1239 10.469,1243 41.005,1247 7.51,1248 3.441,1251 0.517,1252 2.15,1253 -4.358,1257 42.303,1258 101.332,1259 226.005,1260 287.783,1261 336.301,1262 360.175,1263 366.175,1264 71.426,1265 8.17,1266 28.16,1267 56.4,1268 29,1269 12.751,1270 4.524,1271 3.585,1272 54.245,1273 166,1274 162,1275 0.151,1276 257.816,1277 448.18,1278 620.831,1279 45270,1280 4.5,1281 24.96,1282 0.693,1283 0.581,1284 22.813,1285 20.915,1286 17.454,1287 0.436,1288 0.335,1289 12.46,1290 16.487,1291 12.152,1292 10.04,1293 16.696,1294 13.402,1295 16.274,1296 0.291,1297 0.187,1298 14.857,1299 10.482,1300 12.725,1301 0.179,1302 0.109,1303 12.651,1304 7.733,1305 11.112,1306 0.118,1307 0.063,1308 10.921,1309 5.925,1310 8.702,1311 0.078,1312 0.037,1313 8.742,1314 4.168,1315 0.238,1316 112.942,1317 0.192,1318 32.968,1319 0.41,1320 192,1321 632.817,1322 238.657,1323 563.685,1324 752.09,1325 526,1326 223,1327 521.583,1328 259.316,1329 530.419,1330 795.43,1331 498,1332 7.854}
{0 CHEMBL378272,1 1.473,2 8.05,3 3.964,4 15.713,5 83.757,6 7.66,7 0.727,8 3.696,9 3.817,10 3.36,11 3.345,12 4.757,13 3.271,14 4.201,15 4.377,16 3.752,17 3.729,18 5.183,19 3.644,20 4.411,21 4.596,22 3.679,23 3.835,24 5.39,25 3.711,26 4.6,27 4.883,28 3.686,29 3.829,30 5.438,31 3.642,32 4.319,33 4.55,34 3.478,35 3.654,36 5.179,37 3.434,38 3.982,39 4.206,40 3.313,41 3.38,42 4.926,43 3.237,44 3.926,45 4.15,46 3.133,47 3.335,48 4.799,49 3.189,50 3.855,51 4.046,52 2.892,53 3.285,54 4.736,55 3.139,56 0.033,57 0.544,58 7.959,59 3.496,60 8.046,61 4.57,62 0.127,63 0.901,64 16.082,65 5.911,66 14.57,67 7.895,68 0.093,69 1.071,70 17.918,71 7.254,72 18.326,73 9.719,74 0.211,75 1.241,76 26.514,77 9.251,78 29.901,79 12.21,80 0.176,81 1.008,82 27.446,83 8.929,84 19.106,85 9.869,86 0.146,87 0.726,88 15.026,89 4.716,90 15.827,91 5.722,92 0.116,93 0.641,94 14.358,95 5.161,96 12.509,97 6.611,98 0.027,99 0.56,100 8.988,101 4.378,102 8.912,103 6.201,104 11,105 32,106 0.265,107 0.612,108 0.727,109 0.776,110 0.776,111 0.776,112 3.058,113 1.02,114 -4.29,115 -4.23,116 -3.99,119 43.2,120 3,123 1,138 4,139 2,140 1,141 2,142 1,147 1,155 1,163 8,166 4,169 1,171 3,172 8,176 5,181 3,183 5,187 3,192 2,194 6,198 4,201 1,203 3,205 3,209 1,217 3,220 1,221 1,227 9,238 10,242 1,249 3,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.353,259 15.55,260 7.685,261 13.569,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.149,268 25.3,269 3.657,270 11.512,271 3.736,272 1.809,273 1.17,274 0.9,275 0.9,276 0.9,277 3.734,281 1,282 1,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 9.181,297 1,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 41.5,308 161,309 4.513,310 3.55,311 7.118,312 4.311,313 3.328,314 4.434,315 0.4,316 11.7,317 3.278,318 4.453,319 3.101,320 6.514,321 4.026,322 3.041,323 3.91,325 10.24,326 2.999,327 3.796,328 2.595,329 5.495,330 3.368,331 2.487,332 3.085,334 7.378,335 2.193,336 3.435,337 2.065,338 5.089,339 2.963,340 2.012,341 2.804,343 5.973,344 1.89,345 3.118,346 1.618,347 4.421,348 2.605,349 1.618,350 2.427,352 4.118,353 1.596,354 2.775,355 1.446,356 4.124,357 2.312,358 1.377,359 1.907,361 3.709,362 1.275,363 2.7,364 1.267,365 3.591,366 2.221,367 1.263,368 1.761,370 2.821,371 1.206,372 2.328,373 0.918,374 3.342,375 1.835,376 0.875,377 1.252,379 2.073,380 0.835,381 2.165,382 0.696,383 3.268,384 1.478,385 0.683,386 1.007,388 1.667,389 0.533,390 1.307,391 0.085,392 2.854,393 0.907,394 -0.037,395 -0.047,397 -0.096,398 -0.034,399 0.882,400 -0.576,401 2.536,402 0.367,403 -0.618,404 -0.904,406 -1.478,407 -0.608,408 0.735,409 -0.618,410 2.312,411 0.284,412 -0.664,413 -0.927,415 -1.753,416 -0.628,417 0.402,418 -0.934,419 2,421 -1,422 -1,424 -2.599,425 -0.972,426 0.059,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.081,439 -1.035,440 -1.408,442 -3,443 -1,444 10.033,445 0.502,446 0.634,447 0.032,448 27,449 1.35,450 14.5,451 0.725,452 12.5,453 0.625,454 16.211,455 0.811,456 20.567,457 0.556,458 15.519,459 0.776,460 4.801,461 0.24,462 4.737,463 0.237,464 0.15,465 0.05,466 0.249,472 0.912,473 1.151,474 0.764,475 0.89,476 1.021,477 0.894,478 0.729,479 1.025,480 0.777,481 0.902,482 0.657,483 0.793,484 1.063,485 1.346,486 0.983,487 1.154,488 1.044,489 1.227,490 1.268,491 0.795,492 0.816,493 0.709,494 1.174,495 0.783,496 1.238,497 1.233,498 1.982,499 1.632,500 0.857,501 1.159,502 2.089,503 0.801,504 1.329,505 0.881,506 1.47,507 0.842,508 0.684,509 0.824,510 1.153,511 1.084,512 0.756,513 0.929,514 0.443,515 1.19,516 0.821,517 1.152,518 0.847,519 1.359,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 8679,532 2.065,533 45.9,534 9,535 4,536 1,537 2,538 1,542 1.617,543 1.92,544 3.011,545 -0.32,547 1,550 54.508,551 1.473,552 3.4,553 4.04,554 4.31,555 4.31,556 4.31,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,565 1,566 1,567 1,568 192.75,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.67,583 1,584 0.843,585 88.095,586 -0.005,587 -0.076,588 0.074,589 0.036,590 -0.138,591 0.03,592 0.262,593 0.02,594 0.175,595 0.071,596 0.271,597 0.157,598 -0.092,599 -0.339,600 -0.174,601 -0.273,602 -0.11,603 -0.302,604 -0.085,605 0.178,606 0.181,607 0.247,608 -0.064,609 0.185,610 -0.042,611 -0.144,612 -0.306,613 -0.25,614 0.098,615 -0.123,616 -0.478,617 0.347,618 -0.11,619 0.177,620 -0.281,621 0.079,622 0.134,623 0.156,624 -0.057,625 -0.012,626 0.15,627 0.077,628 -0.042,629 -0.316,630 -0.241,631 -0.347,632 -0.154,633 -0.394,634 1.168,635 1.675,636 0.75,637 12.82,638 0.988,639 1.117,640 3.06,641 9.361,642 0.703,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.647,655 283.43,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 8.1,674 1,676 2,680 2,681 7,682 2,685 1,686 3,688 16,697 1,703 37,705 16,706 1,707 22,709 39,710 16,711 12,712 3,713 3,717 3,718 4,721 3,722 1,729 12,730 4,744 1,747 17,748 3,749 1,750 4,751 1,755 3,760 0.667,770 1,775 1,776 2,780 1,796 2,799 1,801 3,805 20,811 1,816 1,819 1,832 10.417,833 7.65,834 4.222,835 2.143,836 3.191,837 1.475,838 0.981,839 3.367,840 9.909,841 3.434,842 4.09,843 4.695,844 5.302,845 5.786,846 6.047,847 6.415,848 6.857,849 7.26,850 7.273,851 1,852 29,853 7.356,854 3.061,855 7.496,856 14.364,857 11.814,859 1.996,860 39.917,861 0.001,864 188.338,865 132.562,866 51.582,870 31.278,871 101.285,872 188.338,873 51.582,874 26.476,876 45.554,877 57.113,878 47.266,879 11.771,880 184.302,882 188.338,883 152.866,885 31.278,887 188.338,891 65.839,892 53.457,893 33.571,894 31.278,895 188.338,896 51.582,897 132.562,900 188.338,901 42.438,902 90.125,903 18.011,904 33.571,905 188.338,906 51.582,907 132.562,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.077,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 81.684,924 1,928 13.351,929 5.043,930 2.795,931 2.292,932 51.582,933 14.005,934 8.832,937 1.642,938 3.117,940 18.011,941 372.482,942 30,952 36.567,953 41.321,954 0.283,955 0.653,956 0.775,957 0.827,958 0.827,959 0.827,960 4.673,961 0.875,962 5.572,963 2.821,964 4.174,965 4.775,966 0.278,967 6.431,968 4.081,969 5.922,970 0.683,971 7.171,972 2.073,973 4.007,974 4.663,976 7.662,977 3.936,978 7.258,979 -0.037,980 8.887,981 1.667,982 5.878,983 7.053,984 0.05,985 10.652,986 5.736,987 8.633,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.759,994 12.663,995 6.395,996 10.04,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.63,1002 0.008,1003 15.258,1004 7.766,1005 11.469,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.728,1012 17.538,1013 8.738,1014 12.914,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 12.374,1020 0.001,1021 20.021,1022 9.969,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.666,1030 22.397,1031 11.06,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 15.212,1039 24.848,1040 12.245,1041 2.487,1042 10.24,1043 21.974,1044 4.434,1045 13.565,1046 16.599,1048 27.263,1049 13.382,1050 2.012,1051 7.378,1052 23.898,1053 3.91,1054 14.751,1055 18.103,1057 29.706,1058 14.554,1059 1.618,1060 5.973,1061 25.827,1062 3.085,1063 15.916,1064 19.536,1066 32.137,1067 15.71,1068 1.377,1069 4.118,1070 27.76,1071 2.804,1072 17.099,1073 21.023,1075 34.58,1076 16.879,1077 1.263,1078 3.709,1079 29.697,1080 2.427,1081 18.275,1082 22.479,1084 37.02,1085 18.044,1086 3656,1087 5708,1088 14.504,1089 25.995,1090 34.023,1091 33.335,1092 33.563,1093 33.219,1094 33.37,1095 45.173,1096 0.8,1097 99.357,1098 31.613,1099 5.288,1100 5.55,1101 6.807,1102 5.422,1103 5.328,1104 7.434,1105 0.8,1106 18.733,1107 5.278,1108 9.403,1109 1.547,1110 1.515,1111 1.526,1112 1.51,1113 1.517,1114 2.053,1115 0.036,1116 4.516,1117 1.437,1118 4.081,1119 4.108,1120 4.234,1121 4.021,1122 5.003,1123 4.018,1124 3.891,1125 3.923,1126 4.005,1127 3.858,1128 4.829,1129 3.808,1130 3.517,1131 3.575,1132 3.502,1133 3.435,1134 4.458,1135 3.379,1136 3.4,1137 3.454,1138 3.331,1139 3.284,1140 4.208,1141 3.277,1142 3.074,1143 3.131,1144 3,1145 2.962,1146 3.927,1147 2.956,1148 2.874,1149 3.009,1150 2.568,1151 2.618,1152 3.578,1153 2.57,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.479,1159 2.57,1160 2.712,1161 2.799,1162 2.499,1163 2.542,1164 3.467,1165 2.537,1166 0.205,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.513,1172 0.202,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.311,1178 0.149,1179 3.328,1180 4.434,1181 0.4,1182 11.7,1183 3.278,1184 2.043,1185 2.021,1186 2.117,1187 2.123,1188 1.244,1189 2.123,1190 1.778,1191 1.73,1192 1.988,1193 1.915,1194 1.208,1195 1.943,1196 1.422,1197 1.376,1198 1.582,1199 1.599,1200 0.583,1201 1.598,1202 1.287,1203 1.273,1204 1.417,1205 1.432,1206 0.523,1207 1.442,1208 1.128,1209 1.073,1210 1.417,1211 1.258,1212 0.469,1213 1.31,1214 0.956,1215 0.91,1216 1.337,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.258,1223 1.239,1224 0.37,1225 1.308,1226 0.934,1227 0.804,1228 1.093,1229 1.088,1230 0.18,1231 1.123,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.528,1248 3.419,1253 0.082,1257 23.939,1258 54.508,1259 125.814,1260 149.466,1261 159.466,1262 159.466,1263 159.466,1264 23.552,1265 6.718,1266 37.81,1267 66.05,1268 17,1269 12.226,1270 4.087,1271 3.17,1272 29.997,1273 61,1274 46,1275 0.249,1276 153.09,1277 248.61,1278 365.299,1279 6698,1281 14.165,1282 0.708,1283 0.633,1284 14.518,1285 12.661,1286 9.538,1287 0.434,1288 0.34,1289 6.625,1290 8.892,1291 6.214,1292 5.264,1293 9.992,1294 7.476,1295 9.377,1296 0.293,1297 0.209,1298 9.954,1299 6.673,1300 7.125,1301 0.178,1302 0.099,1303 7.754,1304 3.953,1305 5.868,1306 0.115,1307 0.058,1308 6.687,1309 2.972,1310 4.617,1311 0.076,1312 0.031,1313 5.252,1314 1.912,1315 0.384,1316 63.085,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 256.483,1322 136.946,1323 281.108,1324 394.89,1325 264,1326 126,1327 286.583,1328 150.646,1329 312.351,1330 452.64,1331 291,1332 5.824}
{0 CHEMBL379460,1 1.391,2 8.05,3 5.115,4 26.159,5 85.914,6 7.433,7 0.727,8 3.711,9 3.831,10 3.351,11 3.385,12 4.739,13 3.299,14 4.22,15 4.391,16 3.747,17 3.771,18 5.173,19 3.673,20 4.449,21 4.64,22 3.675,23 3.877,24 5.394,25 3.74,26 4.623,27 4.905,28 3.681,29 3.867,30 5.438,31 3.672,32 4.349,33 4.58,34 3.472,35 3.696,36 5.174,37 3.468,38 4.027,39 4.253,40 3.313,41 3.427,42 4.939,43 3.272,44 3.971,45 4.203,46 3.11,47 3.388,48 4.789,49 3.224,50 3.892,51 4.081,52 2.892,53 3.344,54 4.746,55 3.181,56 0.039,57 0.521,58 8.48,59 3.707,60 7.977,61 4.935,62 0.123,63 0.881,64 16.62,65 6.365,66 13.876,67 8.578,68 0.104,69 1.077,70 19.246,71 7.844,72 19.227,73 10.61,74 0.196,75 1.278,76 26.994,77 9.764,78 28.656,79 12.881,80 0.144,81 1.027,82 27.766,83 9.391,84 18.014,85 10.493,86 0.136,87 0.751,88 15.768,89 5.148,90 15.783,91 6.355,92 0.077,93 0.648,94 14.726,95 5.69,96 11.418,97 7.209,98 0.041,99 0.571,100 10.518,101 4.829,102 9.644,103 6.657,104 11,105 32,106 0.249,107 0.568,108 0.645,109 0.719,110 0.764,111 0.783,112 3.058,113 1.04,114 -5.37,115 -5.25,116 -4.91,119 44.7,120 3,123 1,138 7,139 2,140 1,142 1,147 1,155 1,163 12,166 2,169 1,171 3,172 14,176 3,181 3,183 10,187 2,192 4,194 10,198 3,203 4,205 5,209 3,217 5,221 1,227 10,238 12,249 10,252 444,253 13.195,254 13.195,255 13.195,256 13.195,257 13.195,258 11.353,259 15.55,260 7.685,261 13.504,262 10.889,263 10.889,264 10.889,265 10.889,266 10.889,267 8.149,268 25.3,269 3.657,270 11.42,271 3.856,272 2.077,273 1.643,274 1.231,275 0.981,276 0.876,277 3.734,282 1,283 1,284 345,285 3.082,287 50.082,288 94.702,292 81.095,295 1.16,296 8.024,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 41,308 161,309 4.513,310 3.55,311 7.118,312 4.311,313 3.328,314 4.434,315 0.4,316 11.7,317 3.278,318 4.453,319 3.101,320 6.514,321 4.029,322 3.041,323 3.91,325 10.24,326 3.007,327 3.796,328 2.595,329 5.495,330 3.37,331 2.487,332 3.085,334 7.378,335 2.202,336 3.435,337 2.065,338 5.089,339 2.972,340 2.012,341 2.804,343 5.973,344 1.904,345 3.118,346 1.618,347 4.421,348 2.618,349 1.618,350 2.427,352 4.118,353 1.618,354 2.775,355 1.446,356 4.124,357 2.324,358 1.377,359 1.907,361 3.709,362 1.3,363 2.7,364 1.267,365 3.591,366 2.255,367 1.263,368 1.761,370 2.821,371 1.245,372 2.328,373 0.918,374 3.342,375 1.852,376 0.875,377 1.252,379 2.073,380 0.851,381 2.165,382 0.696,383 3.268,384 1.478,385 0.683,386 1.007,388 1.667,389 0.533,390 1.307,391 0.085,392 2.854,393 0.914,394 -0.037,395 -0.047,397 -0.096,398 -0.034,399 0.882,400 -0.576,401 2.536,402 0.382,403 -0.618,404 -0.904,406 -1.478,407 -0.618,408 0.735,409 -0.618,410 2.312,411 0.303,412 -0.664,413 -0.927,415 -1.753,416 -0.64,417 0.402,418 -0.934,419 2,421 -1,422 -1,424 -2.599,425 -0.993,426 0.059,427 -1,428 2,430 -1,431 -1,433 -3,434 -1,436 -1,437 2,438 -0.058,439 -1.035,440 -1.408,442 -3,443 -1,444 10.133,445 0.507,446 0.634,447 0.032,448 26.5,449 1.325,450 14.5,451 0.725,452 12,453 0.6,454 16.473,455 0.824,456 20.467,457 0.539,458 15.257,459 0.763,460 4.72,461 0.236,462 4.818,463 0.241,464 0.148,465 0.049,466 0.247,472 0.949,473 1.054,474 0.786,475 0.864,476 1.141,477 0.889,478 0.582,479 1.036,480 0.787,481 0.933,482 0.59,483 0.835,484 1.139,485 1.324,486 0.975,487 1.122,488 1.099,489 1.195,490 1.453,491 0.792,492 0.824,493 0.711,494 1.287,495 0.786,496 1.465,497 1.303,498 1.962,499 1.603,500 0.924,501 1.151,502 2.37,503 0.821,504 1.312,505 0.894,506 1.515,507 0.864,508 0.929,509 0.813,510 1.144,511 0.999,512 0.853,513 0.887,514 0.603,515 1.136,516 1.033,517 1.207,518 1.036,519 1.344,520 5,521 0.037,522 2.444,523 1.313,524 1.091,525 0.344,526 0.314,527 0.309,528 0.227,529 0.121,530 3725,531 8025,532 2.065,533 47.4,534 9,535 7,536 1,538 1,542 1.617,543 1.92,544 3.011,545 -0.37,550 52.876,551 1.391,552 3.171,553 3.605,554 4.017,555 4.267,556 4.372,557 2.441,558 3.684,559 4.298,560 3.163,561 600.926,562 7.335,563 6102.48,568 199.421,569 1.601,570 4.237,571 0.227,572 0.012,573 0.076,574 0.045,575 0.044,576 0.017,577 0.017,578 0.018,579 0.016,580 0.012,581 0.486,582 0.83,583 1,584 0.843,585 88.095,586 0.007,587 -0.006,588 0.074,589 0.059,590 -0.207,591 0.045,592 0.41,593 -0.012,594 0.172,595 0.038,596 0.329,597 0.123,598 -0.063,599 -0.321,600 -0.152,601 -0.245,602 -0.09,603 -0.267,604 -0.094,605 0.22,606 0.168,607 0.238,608 -0.084,609 0.169,610 -0.132,611 -0.203,612 -0.295,613 -0.251,614 0.064,615 -0.125,616 -0.482,617 0.341,618 -0.098,619 0.148,620 -0.257,621 0.057,622 -0.099,623 0.164,624 -0.054,625 0.061,626 0.076,627 0.115,628 -0.186,629 -0.241,630 -0.325,631 -0.339,632 -0.278,633 -0.376,634 1.158,635 1.691,636 0.75,637 12.82,638 0.983,639 1.112,640 4.139,641 17.127,642 0.704,643 3.135,644 3.497,645 3.714,646 3.951,647 4.127,648 4.143,649 4.19,650 4.331,651 4.407,652 4.277,653 5.025,654 0.643,655 282.44,656 3.135,657 4.691,658 5.533,659 6.425,660 7.287,661 8.177,662 9.045,663 9.933,664 10.805,665 11.692,666 5.3,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 38,705 16,706 2,707 22,709 40,710 17,711 13,712 3,713 7,717 3,718 4,721 3,722 1,729 13,730 4,747 18,748 2,749 1,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 3,805 20,811 1,816 1,819 1,832 10.417,833 7.783,834 4.222,835 2.232,836 3.191,837 1.475,838 0.985,839 3.407,840 9.909,841 3.434,842 4.09,843 4.695,844 5.302,845 5.786,846 6.047,847 6.415,848 6.857,849 7.26,850 7.273,851 1,852 29,853 7.37,854 3.069,855 7.446,856 14.494,857 11.997,859 1.946,860 38.917,861 0.001,864 200.109,865 142.896,866 34.796,870 31.278,871 111.619,872 200.109,873 34.796,874 26.476,876 73.983,877 16.786,878 29.171,879 11.771,880 219.615,882 200.109,883 146.415,885 31.278,887 200.109,891 47.744,892 81.885,893 16.786,894 31.278,895 200.109,896 34.796,897 142.896,900 200.109,901 42.438,902 100.458,903 18.011,904 16.786,905 200.109,906 34.796,907 142.896,909 0.595,910 0.332,911 0.172,912 0.091,913 17,914 7,915 0.075,916 3,917 1,918 1.133,919 3.222,920 151.632,921 0.133,922 15,923 79.684,924 1,928 13.413,929 5.08,930 2.82,931 2.465,932 34.796,933 16.821,934 4.691,937 1.658,938 3.189,940 18.011,941 377.801,942 30,952 37.349,953 42.238,954 0.265,955 0.604,956 0.687,957 0.765,958 0.813,959 0.833,960 4.673,961 0.875,962 5.572,963 2.821,964 4.174,965 4.775,966 0.278,967 6.431,968 4.094,969 5.922,970 0.683,971 7.171,972 2.073,973 4.007,974 4.663,976 7.662,977 3.936,978 7.258,979 -0.037,980 8.887,981 1.667,982 5.878,983 7.053,984 0.05,985 10.652,986 5.752,987 8.633,988 -0.618,989 10.673,990 -0.096,991 6.509,992 7.759,994 12.663,995 6.397,996 10.04,997 -0.664,998 12.505,999 -1.478,1000 7.923,1001 9.63,1002 0.008,1003 15.258,1004 7.779,1005 11.469,1006 -1,1007 14.367,1008 -1.753,1009 8.878,1010 10.728,1012 17.538,1013 8.742,1014 12.914,1015 -1,1016 16.25,1017 -2.599,1018 10.134,1019 12.374,1020 0.001,1021 20.021,1022 9.979,1023 3.328,1024 -1.035,1025 18.148,1026 -3,1027 11.221,1028 13.666,1030 22.397,1031 11.066,1032 3.041,1033 11.7,1034 20.057,1035 -3,1036 12.423,1037 15.212,1039 24.848,1040 12.254,1041 2.487,1042 10.24,1043 21.974,1044 4.434,1045 13.565,1046 16.599,1048 27.263,1049 13.389,1050 2.012,1051 7.378,1052 23.898,1053 3.91,1054 14.751,1055 18.103,1057 29.706,1058 14.563,1059 1.618,1060 5.973,1061 25.827,1062 3.085,1063 15.916,1064 19.536,1066 32.137,1067 15.718,1068 1.377,1069 4.118,1070 27.76,1071 2.804,1072 17.099,1073 21.023,1075 34.58,1076 16.888,1077 1.263,1078 3.709,1079 29.697,1080 2.427,1081 18.275,1082 22.479,1084 37.02,1085 18.052,1086 3656,1087 5486,1088 14.504,1089 26.75,1090 34.023,1091 33.335,1092 33.563,1093 33.238,1094 33.37,1095 45.173,1096 0.8,1097 99.357,1098 31.876,1099 5.288,1100 5.55,1101 6.807,1102 5.422,1103 5.328,1104 7.434,1105 0.8,1106 18.733,1107 5.278,1108 9.403,1109 1.547,1110 1.515,1111 1.526,1112 1.511,1113 1.517,1114 2.053,1115 0.036,1116 4.516,1117 1.449,1118 4.092,1119 4.115,1120 4.234,1121 4.049,1122 4.944,1123 4.043,1124 3.893,1125 3.924,1126 4.013,1127 3.863,1128 4.8,1129 3.811,1130 3.531,1131 3.585,1132 3.503,1133 3.446,1134 4.349,1135 3.409,1136 3.431,1137 3.476,1138 3.362,1139 3.368,1140 4.205,1141 3.329,1142 3.08,1143 3.136,1144 3.002,1145 2.978,1146 3.918,1147 2.969,1148 2.874,1149 3.009,1150 2.568,1151 2.618,1152 3.551,1153 2.57,1154 2.874,1155 3.009,1156 2.526,1157 2.618,1158 3.467,1159 2.57,1160 2.713,1161 2.802,1162 2.499,1163 2.578,1164 3.467,1165 2.564,1166 0.205,1167 0.161,1168 0.324,1169 0.196,1170 0.151,1171 4.513,1172 0.202,1173 3.55,1174 0.018,1175 7.118,1176 0.532,1177 4.311,1178 0.149,1179 3.328,1180 4.434,1181 0.4,1182 11.7,1183 3.278,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.778,1191 1.73,1192 1.988,1193 1.915,1194 1.208,1195 1.943,1196 1.499,1197 1.46,1198 1.668,1199 1.628,1200 0.708,1201 1.645,1202 1.289,1203 1.279,1204 1.417,1205 1.434,1206 0.524,1207 1.443,1208 1.129,1209 1.076,1210 1.417,1211 1.259,1212 0.469,1213 1.31,1214 0.976,1215 0.93,1216 1.345,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.26,1223 1.239,1224 0.384,1225 1.308,1226 0.934,1227 0.804,1228 1.108,1229 1.101,1230 0.193,1231 1.141,1232 3.807,1233 5.153,1234 2.398,1235 6.686,1236 4.595,1237 8.301,1238 6.605,1239 9.959,1241 6.553,1248 3.447,1253 0.092,1257 24.444,1258 52.876,1259 120.486,1260 136.976,1261 152.627,1262 162.137,1263 166.137,1264 23.42,1265 6.718,1266 24.92,1267 53.16,1268 17,1269 12.226,1270 4.087,1271 3.17,1272 29.997,1273 61,1274 46,1275 0.249,1276 155.888,1277 254.91,1278 372.126,1279 6698,1281 14.165,1282 0.708,1283 0.64,1284 14.518,1285 12.791,1286 9.538,1287 0.434,1288 0.347,1289 6.793,1290 8.966,1291 6.369,1292 5.398,1293 9.992,1294 7.627,1295 9.377,1296 0.293,1297 0.212,1298 9.954,1299 6.798,1300 7.125,1301 0.178,1302 0.102,1303 7.754,1304 4.062,1305 5.868,1306 0.115,1307 0.06,1308 6.687,1309 3.075,1310 4.617,1311 0.076,1312 0.033,1313 5.252,1314 2.011,1315 0.384,1316 62.585,1317 0.263,1318 19.739,1319 0.704,1320 108,1321 236.838,1322 135.558,1323 263.868,1324 373.49,1325 248,1326 126,1327 272.47,1328 149.147,1329 298.708,1330 434.06,1331 279,1332 7.097}
{0 CHEMBL380537,1 1.459,2 11.571,3 8.344,4 69.616,5 136.966,6 6.924,7 0.447,8 4.319,9 4.457,10 3.815,11 3.84,12 5.326,13 3.801,14 4.919,15 5.123,16 4.235,17 4.248,18 6.241,19 4.187,20 5.161,21 5.394,22 4.228,23 4.415,24 6.086,25 4.308,26 5.334,27 5.606,28 4.228,29 4.429,30 6.268,31 4.307,32 5.326,33 5.606,34 4.22,35 4.404,36 6.308,37 4.294,38 5.278,39 5.541,40 4.267,41 4.461,42 6.154,43 4.354,44 5.349,45 5.597,46 4.291,47 4.507,48 6.345,49 4.402,50 5.387,51 5.66,52 4.328,53 4.473,54 6.408,55 4.362,56 0.037,57 1.224,58 15.668,59 6.942,60 15.842,61 9.309,62 0.79,63 2.301,64 31.723,65 11.385,66 138.817,67 15.923,68 0.248,69 2.311,70 39.427,71 14.735,72 38.891,73 21.114,74 0.431,75 2.614,76 49.225,77 16.41,78 72.732,79 23.752,80 0.904,81 2.604,82 50.538,83 15.679,84 108.02,85 22.462,86 0.404,87 2.485,88 45.829,89 15.763,90 58.155,91 22.939,92 0.597,93 2.796,94 50.132,95 16.775,96 99.827,97 23.321,98 0.651,99 2.852,100 52.489,101 17.059,102 101.812,103 24.715,104 38,105 54,106 0.23,107 0.519,108 0.717,109 0.808,110 0.855,111 0.86,112 3.589,113 0.982,114 -6.99,115 -6.79,116 -6.29,119 40,120 2,121 5,122 1,124 1,125 3,131 1,138 8,139 4,140 1,142 1,149 1,159 1,163 18,166 4,169 1,171 3,172 19,175 1,176 5,179 1,181 3,183 12,186 1,187 6,192 2,194 5,198 9,201 1,205 9,209 11,217 14,221 12,226 2,227 14,231 9,236 4,238 10,242 4,247 4,249 8,252 2512,253 23.057,254 23.057,255 23.057,256 23.057,257 23.057,258 20.84,259 27.299,260 13.567,261 23.548,262 18.785,263 18.785,264 18.785,265 18.785,266 18.785,267 15.548,268 41.601,269 6.498,270 19.686,271 4.67,272 2.837,273 1.579,274 1.001,275 0.7,276 0.672,277 4.278,283 1,284 861,285 4.183,287 106.211,288 396.435,295 1.771,296 40.226,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 76.5,308 405,309 4.538,310 4.471,311 7.248,312 4.259,313 3.377,314 4.051,315 3.825,316 12.241,317 3.033,318 4.386,319 3.223,320 6.376,321 3.998,322 3.034,323 3.996,324 0.995,325 9.65,326 2.943,327 4.241,328 3.114,329 6.123,330 3.836,331 2.867,332 3.906,333 0.4,334 8.949,335 2.762,336 3.756,337 2.938,338 5.752,339 3.628,340 2.677,341 2.889,342 0.359,343 8.074,344 2.562,345 3.575,346 2.643,347 5.48,348 3.367,349 2.418,350 2.714,352 7.182,353 2.237,354 3.399,355 2.422,356 5.22,357 3.145,358 2.201,359 2.567,361 6.513,362 2.046,363 3.244,364 2.18,365 5.01,366 2.928,367 1.961,368 2.421,370 5.659,371 1.889,372 3.024,373 1.973,374 4.756,375 2.704,376 1.748,377 2.166,379 5.068,380 1.667,381 2.867,382 1.545,383 4.153,384 2.461,385 1.463,386 2.029,388 3.531,389 1.459,390 2.783,391 1.537,392 4.094,393 2.414,394 1.414,395 1.852,397 3.362,398 1.414,399 2.62,400 1.43,401 3.863,402 2.304,403 1.322,404 1.66,406 3.175,407 1.294,408 2.582,409 1.381,410 3.615,411 2.234,412 1.27,413 1.615,415 2.98,416 1.221,417 2.394,418 1.329,419 3.575,420 2.116,421 1.152,422 1.392,424 2.824,425 1.092,426 2,427 1,428 3.247,429 2,430 1,431 1,433 2.136,434 1,435 1.544,436 0.738,437 3.053,438 1.334,439 0.359,440 0.408,442 0.86,443 0.349,444 16.457,445 0.47,446 1.055,447 0.03,448 38.25,449 1.093,450 16.5,451 0.471,452 21.75,453 0.621,454 39.342,455 1.124,456 39.943,457 0.571,458 31.921,459 0.912,460 7.252,461 0.207,462 9.45,463 0.27,464 0.143,465 0.03,466 0.292,469 3,472 0.555,473 1.111,474 0.815,475 1.173,476 0.56,477 1.08,478 0.474,479 0.852,480 0.815,481 0.987,482 0.303,483 0.972,484 0.552,485 0.99,486 0.942,487 1.17,488 0.427,489 1.146,490 0.802,491 1.035,492 0.942,493 1.067,494 0.683,495 1.038,496 1.088,497 0.858,498 1.002,499 0.824,500 1.077,501 0.873,502 0.717,503 0.885,504 0.874,505 0.929,506 0.597,507 0.926,508 1.177,509 1.081,510 1.163,511 1.063,512 1.147,513 1.093,514 0.822,515 1.007,516 0.907,517 1.017,518 0.785,519 0.985,520 8.5,521 0.243,522 3.778,523 3.292,524 1.529,525 1.393,526 0.852,527 0.761,528 0.558,529 0.462,530 17401,531 43056,532 2.034,533 50,534 16,535 17,538 1,540 1,542 1.773,543 1.883,544 3.451,545 -0.401,550 102.164,551 1.459,552 3.292,553 4.551,554 5.129,555 5.429,556 5.458,557 2.803,558 4.879,559 5.103,560 3.722,561 2214.38,562 8.992,563 35211.7,568 429.05,569 1.592,570 5.043,571 0.224,572 0.007,573 0.07,574 0.062,575 0.031,576 0.027,577 0.015,578 0.014,579 0.01,580 0.01,581 0.469,582 0.33,583 0.75,584 0.729,585 188.724,586 0.019,587 -0.063,588 0.048,589 -0.028,590 -0.062,591 0.004,592 0.388,593 0.192,594 0.129,595 0.056,596 0.484,597 0.042,598 0.019,599 -0.134,600 -0.045,601 -0.156,602 0.047,603 -0.126,604 -0.011,605 -0.16,606 0.013,607 -0.11,608 0.028,609 -0.058,610 -0.018,611 0.133,612 0.008,613 0.119,614 -0.057,615 0.08,616 -0.031,617 -0.034,618 0.058,619 0.044,620 -0.006,621 0.068,622 -0.15,623 -0.043,624 -0.176,625 -0.074,626 -0.141,627 -0.116,628 0.066,629 -0.089,630 0.068,631 -0.062,632 0.053,633 -0.013,634 5.61,635 5.666,636 0.657,637 36.134,638 1,639 1.144,640 5.76,641 33.18,642 0.64,643 3.664,644 4.007,645 4.22,646 4.454,647 4.605,648 4.644,649 4.762,650 4.905,651 5.017,652 5.112,653 7.473,654 0.603,655 484.67,656 3.664,657 5.22,658 6.057,659 6.938,660 7.79,661 8.674,662 9.532,663 10.417,664 11.278,665 12.164,666 5.7,669 1,674 2,676 1,681 8,682 1,686 7,687 1,688 17,697 1,703 70,705 17,706 2,707 38,709 73,710 28,711 15,712 5,713 7,717 4,718 4,721 3,724 5,725 1,726 1,727 5,729 15,730 13,731 1,745 3,747 35,748 6,749 1,750 7,755 4,760 1,769 1,775 1,776 3,792 1,796 4,801 3,803 3,805 35,810 8,811 1,814 1,815 1,816 1,824 3,832 18.583,833 13.279,834 7.528,835 4.428,836 2.804,837 1.364,838 0.977,839 8.113,840 10.508,841 3.861,842 4.434,843 4.923,844 5.422,845 5.792,846 5.884,847 6.167,848 6.478,849 6.815,850 7.093,851 1,852 53,853 13.454,854 6.066,855 7.836,856 25.177,857 20.991,859 2.336,860 81.75,864 400.217,865 149.19,866 39.575,869 44.88,871 149.19,872 400.217,873 84.455,874 26.047,875 18.99,876 75.81,877 16.663,878 88.376,880 400.217,881 7.76,882 400.217,883 188.764,884 44.88,887 388.446,888 56.651,891 72.396,892 99.705,893 16.663,895 445.098,896 39.575,897 149.19,900 407.977,901 39.573,902 106.758,903 18.011,904 61.543,905 400.217,906 84.455,907 149.19,909 0.59,910 0.332,911 0.173,912 0.089,913 25,914 12,915 0.11,916 8,918 1,919 4.449,920 329.4,922 23,923 168.77,928 25.633,929 11.078,930 6.61,932 82.678,933 14.078,934 4.695,938 4.894,939 1.805,940 18.011,941 633.862,942 46.5,952 69.967,953 80.071,954 0.238,955 0.537,956 0.742,957 0.837,958 0.886,959 0.89,960 5.125,961 1.748,962 6.075,963 5.659,964 4.691,965 5.121,966 3.145,967 6.903,968 4.6,969 6.332,970 1.463,971 7.653,972 5.068,973 4.443,974 4.977,975 3.911,976 7.989,977 4.201,978 7.645,979 1.414,980 9.34,981 3.531,982 6.344,983 7.255,984 5.427,985 11.02,986 6.136,987 8.992,988 1.322,989 11.094,990 3.362,991 6.889,992 7.904,993 6.69,994 12.935,995 6.523,996 10.372,997 1.27,998 12.893,999 3.175,1000 8.316,1001 9.704,1002 8.058,1003 15.56,1004 7.957,1005 11.775,1006 1.152,1007 14.723,1008 2.98,1009 9.21,1010 10.724,1011 9.389,1012 17.812,1013 8.709,1014 13.196,1015 1,1016 16.579,1017 2.824,1018 10.466,1019 12.316,1020 10.734,1021 20.326,1022 9.936,1023 3.377,1024 0.359,1025 18.454,1026 2.136,1027 11.517,1028 13.516,1029 12.074,1030 22.718,1031 10.862,1032 3.034,1033 12.241,1034 20.345,1035 0.86,1036 12.715,1037 15.009,1038 13.416,1039 25.207,1040 12.002,1041 2.867,1042 9.65,1043 22.249,1044 4.051,1045 13.838,1046 16.298,1047 14.758,1048 27.659,1049 13.01,1050 2.677,1051 8.949,1052 24.164,1053 3.996,1054 15.02,1055 17.741,1056 16.1,1057 30.148,1058 14.114,1059 2.418,1060 8.074,1061 26.089,1062 3.906,1063 16.178,1064 19.076,1065 17.441,1066 32.626,1067 15.162,1068 2.201,1069 7.182,1070 28.022,1071 2.889,1072 17.36,1073 20.492,1074 18.783,1075 35.12,1076 16.253,1077 1.961,1078 6.513,1079 29.962,1080 2.714,1081 18.536,1082 21.85,1083 20.124,1084 37.61,1085 17.32,1086 16738,1087 26667,1088 24.849,1089 44.779,1090 57.26,1091 56.876,1092 58.064,1093 56.974,1094 56.673,1095 69.495,1096 11.158,1097 164.809,1098 54.082,1099 5.538,1100 6.471,1101 7.05,1102 5.304,1103 5.377,1104 7.051,1105 5.335,1106 19.758,1107 5.033,1108 19.581,1109 1.507,1110 1.497,1111 1.528,1112 1.499,1113 1.491,1114 1.829,1115 0.294,1116 4.337,1117 1.423,1118 4.046,1119 4.098,1120 3.993,1121 3.933,1122 8.513,1123 3.937,1124 3.95,1125 3.986,1126 3.903,1127 3.876,1128 7.999,1129 3.875,1130 3.878,1131 3.921,1132 3.816,1133 3.774,1134 7.999,1135 3.767,1136 3.856,1137 3.91,1138 3.731,1139 3.709,1140 4.954,1141 3.722,1142 3.495,1143 3.577,1144 3.378,1145 3.29,1146 4.719,1147 3.296,1148 3.316,1149 3.363,1150 3.309,1151 3.052,1152 4.698,1153 3.067,1154 3.197,1155 3.281,1156 3.023,1157 3.022,1158 4.302,1159 3.031,1160 3.167,1161 3.255,1162 2.975,1163 3.008,1164 4.066,1165 2.991,1166 0.119,1167 0.118,1168 0.191,1169 0.112,1170 0.089,1171 4.538,1172 0.107,1173 4.471,1174 0.101,1175 7.248,1176 0.322,1177 4.259,1178 0.08,1179 3.377,1180 4.051,1181 3.825,1182 12.241,1183 3.033,1184 1.944,1185 1.915,1186 2.12,1187 2.065,1188 1.518,1189 2.083,1190 1.94,1191 1.91,1192 2.06,1193 2.035,1194 1.223,1195 2.044,1196 1.882,1197 1.833,1198 2.029,1199 2,1200 1.199,1201 2.013,1202 1.608,1203 1.557,1204 1.787,1205 1.816,1206 1.033,1207 1.797,1208 1.519,1209 1.435,1210 1.729,1211 1.777,1212 0.875,1213 1.78,1214 1.326,1215 1.253,1216 1.582,1217 1.527,1218 0.825,1219 1.547,1220 1.219,1221 1.144,1222 1.561,1223 1.44,1224 0.791,1225 1.473,1226 1.188,1227 1.1,1228 1.534,1229 1.42,1230 0.634,1231 1.461,1232 4.344,1233 5.68,1234 2.398,1235 7.194,1236 4.727,1237 8.786,1238 6.783,1239 10.418,1241 6.053,1243 40.998,1247 7.464,1248 3.468,1251 0.512,1252 2.143,1253 -4.36,1257 42.191,1258 102.164,1259 230.474,1260 318.546,1261 359.011,1262 380.03,1263 382.03,1264 79.49,1265 7.704,1266 33.09,1267 33.09,1268 23,1269 12.701,1270 4.17,1271 3.248,1272 59.12,1273 152,1274 150,1275 0.18,1276 257.135,1277 451.91,1278 619.169,1279 23447,1280 4.3,1281 25.001,1282 0.714,1283 0.595,1284 22.501,1285 20.829,1286 16.703,1287 0.44,1288 0.327,1289 12.273,1290 16.081,1291 11.893,1292 9.916,1293 15.491,1294 12.441,1295 15.932,1296 0.295,1297 0.182,1298 13.937,1299 9.846,1300 12.343,1301 0.184,1302 0.107,1303 11.61,1304 7.141,1305 10.122,1306 0.119,1307 0.06,1308 9.235,1309 5.07,1310 7.679,1311 0.078,1312 0.035,1313 7.146,1314 3.488,1315 0.281,1316 104.554,1317 0.201,1318 32.045,1319 0.496,1320 184,1321 609.602,1322 209.343,1323 517.997,1324 688.51,1325 482,1326 213,1327 494.18,1328 233.634,1329 487.308,1330 726.17,1331 455,1332 6.432}
{0 CHEMBL382244,1 1.405,2 7.294,3 4.692,4 22.019,5 74.505,6 7.04,7 0.611,8 3.608,9 3.74,10 3.2,11 3.239,12 4.608,13 3.139,14 4.125,15 4.324,16 3.588,17 3.603,18 5.031,19 3.49,20 4.316,21 4.513,22 3.473,23 3.694,24 5.252,25 3.539,26 4.543,27 4.848,28 3.473,29 3.702,30 5.306,31 3.471,32 4.231,33 4.491,34 3.272,35 3.515,36 4.983,37 3.246,38 3.822,39 4.044,40 2.946,41 3.193,42 4.727,43 3.03,44 3.799,45 4.044,46 2.662,47 3.139,48 4.535,49 2.958,50 3.755,51 3.976,52 2.601,53 3.125,54 4.558,55 2.944,56 0.041,57 0.5,58 8.563,59 3.575,60 7.746,61 4.821,62 0.127,63 0.816,64 16.511,65 5.902,66 13.323,67 8.112,68 0.101,69 0.961,70 18.004,71 6.921,72 18.725,73 9.543,74 0.205,75 1.117,76 25.737,77 8.596,78 27.121,79 11.534,80 0.129,81 0.872,82 26.012,83 8.539,84 15.825,85 9.538,86 0.139,87 0.612,88 14.968,89 4.253,90 13.827,91 5.213,92 0.047,93 0.509,94 10.521,95 4.531,96 8.371,97 6.233,98 0.033,99 0.488,100 8.998,101 4.253,102 8.695,103 6.033,104 18,105 26,106 0.261,107 0.596,108 0.699,109 0.741,110 0.752,111 0.752,112 2.907,113 1.105,114 -4.78,115 -4.69,116 -4.41,119 40,120 4,123 1,138 4,139 1,140 1,142 1,147 1,155 1,163 8,166 2,169 1,171 3,172 8,176 3,181 3,183 5,187 2,192 2,194 6,198 3,203 3,205 3,209 1,217 3,227 9,238 10,249 3,252 291,253 10.834,254 10.834,255 10.834,256 10.834,257 10.834,258 9.474,259 16.144,260 6.286,261 11.142,262 8.885,263 8.885,264 8.885,265 8.885,266 8.885,267 6.904,268 24.51,269 2.997,270 9.417,271 3.725,272 1.925,273 1.373,274 1.144,275 1.087,276 1.087,277 3.551,282 1,283 1,284 254,285 3,287 46.986,288 57.477,295 1.135,296 7.032,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 35,308 124,309 4.473,310 3.55,311 7.118,312 4.311,313 3.328,314 3.938,315 0.4,316 11.699,317 3.278,318 4.178,319 3.012,320 6.062,321 3.803,322 2.835,323 3.752,325 8.757,326 2.753,327 3.726,328 2.497,329 5.362,330 3.27,331 2.391,332 3.002,334 6.974,335 2.075,336 2.921,337 1.697,338 4.461,339 2.516,340 1.555,341 2.087,343 4.318,344 1.49,345 2.85,346 1.489,347 4.093,348 2.414,349 1.414,350 1.985,352 3.472,353 1.414,354 2.634,355 1.307,356 3.597,357 2.196,358 1.247,359 1.679,361 2.954,362 1.17,363 2.167,364 0.703,365 3.282,366 1.479,367 0.688,368 1.011,370 1.681,371 0.534,372 1.395,373 0.336,374 2.895,375 1.081,376 0.126,377 0.155,379 0.298,380 0.119,381 0.781,382 -0.291,383 2.533,384 0.432,385 -0.534,386 -0.658,388 -1.314,389 -0.514,390 0.485,391 -0.811,392 2,393 0.046,394 -0.924,395 -1,397 -2.38,398 -0.892,399 0.057,400 -1,401 2,403 -1,404 -1,406 -3,407 -1,409 -1,410 2,412 -1,413 -1.239,415 -3,416 -1,418 -1.042,419 1.852,420 -0.396,421 -1.286,422 -1.565,424 -3.459,425 -1.06,426 -0.092,427 -1.251,428 1.424,429 -0.414,430 -1.414,431 -1.885,433 -3.844,434 -1.414,435 -0.14,436 -1.456,437 1.2,438 -0.627,439 -1.553,440 -2.063,442 -4.566,443 -1.439,444 8.633,445 0.508,446 0.621,447 0.037,448 20.5,449 1.206,450 10.5,451 0.618,452 10,453 0.588,454 15.028,455 0.884,456 18.367,457 0.525,458 10.776,459 0.634,460 3.555,461 0.209,462 4.411,463 0.259,464 0.232,465 0.058,466 0.232,472 0.978,473 1.176,474 0.835,475 0.945,476 1.225,477 0.989,478 0.565,479 1.06,480 0.766,481 0.928,482 0.521,483 0.821,484 1.196,485 1.48,486 1.036,487 1.224,488 1.181,489 1.318,490 1.584,491 0.714,492 0.842,493 0.669,494 1.432,495 0.772,496 1.189,497 1.26,498 1.938,499 1.603,500 0.694,501 1.086,502 2.976,503 0.834,504 1.919,505 1.21,506 1.98,507 1.004,508 0.501,509 0.912,510 0.84,511 0.972,512 0.762,513 1.075,514 0.358,515 1.103,516 0.786,517 1.077,518 0.729,519 1.302,520 5,522 2.222,523 1.125,524 1.037,525 0.254,526 0.369,527 0.266,528 0.091,529 0.047,530 2225,531 4701,532 1.947,533 51.4,534 12,535 4,536 1,538 1,542 1.567,543 1.774,544 2.879,545 -0.314,550 49.163,551 1.405,552 3.204,553 3.757,554 3.985,555 4.042,556 4.042,557 2.278,558 3.572,559 4.063,560 3.02,561 410.722,562 6.855,563 3735.98,565 1,568 179.525,569 1.735,570 3.975,571 0.278,573 0.085,574 0.051,575 0.058,576 0.017,577 0.028,578 0.024,579 0.009,580 0.016,581 0.566,582 0.83,583 1,584 0.972,585 70.443,586 0.013,587 -0.046,588 0.075,589 0.044,590 -0.232,591 0.025,592 0.454,593 -0.002,594 0.23,595 0.081,596 0.419,597 0.18,598 -0.075,599 -0.434,600 -0.193,601 -0.325,602 -0.114,603 -0.361,604 -0.176,605 0.27,606 0.138,607 0.248,608 -0.2,609 0.148,610 -0.026,611 -0.185,612 -0.201,613 -0.183,614 0.225,615 -0.039,616 -0.815,617 0.417,618 -0.464,619 -0.04,620 -0.547,621 -0.065,622 -0.06,623 -0.013,624 -0.109,625 -0.086,626 -0.052,627 -0.08,628 -0.076,629 -0.217,630 -0.203,631 -0.259,632 -0.029,633 -0.309,634 1.137,635 1.625,636 0.647,637 10.491,638 0.981,639 1.121,640 3.552,641 12.617,642 0.679,643 2.944,644 3.296,645 3.434,646 3.584,647 3.689,648 3.638,649 3.584,650 3.689,651 3.526,652 3.296,653 4.596,654 0.613,655 246.41,656 2.944,657 4.489,658 5.303,659 6.18,660 7.018,661 7.892,662 8.739,663 9.611,664 10.463,665 11.333,666 5.7,674 1,676 1,681 5,682 1,685 1,686 4,688 11,697 1,703 35,705 11,706 1,707 18,709 36,710 14,711 9,712 2,713 4,717 2,718 2,721 4,722 1,729 9,730 5,744 1,747 18,748 2,749 1,750 3,751 1,755 2,760 1,775 1,776 1,796 2,799 1,801 4,805 17,811 1,816 1,819 1,832 9.583,833 7.533,834 3.611,835 2.031,836 2.026,837 1.342,838 0.938,839 3.41,840 7.945,841 3.199,842 3.801,843 4.285,844 4.779,845 5.104,846 5.173,847 5.344,848 5.744,849 5.942,850 6.099,851 0.8,852 22,853 6.263,854 2.519,855 7.456,856 12.305,857 9.85,859 1.956,860 33.25,861 0.004,864 200.109,865 121.332,866 34.796,870 31.278,871 90.055,872 200.109,873 34.796,874 35.301,876 45.554,877 16.786,878 27.211,879 11.771,880 219.615,882 200.109,883 124.851,885 31.278,887 200.109,891 56.569,892 51.496,893 16.786,894 31.278,895 200.109,896 34.796,897 121.332,900 200.109,901 40.478,902 80.855,903 18.011,904 16.786,905 200.109,906 34.796,907 121.332,909 0.599,910 0.322,911 0.15,912 0.078,913 13,914 6,915 0.083,916 3,918 1,919 2.885,920 113.31,922 11,923 62.732,924 1,928 12.406,929 4.672,930 2.991,932 34.796,933 10.38,934 4.625,937 1.658,938 4.463,940 18.011,941 356.237,942 23.5,952 34.349,953 39.238,954 0.274,955 0.625,956 0.732,957 0.777,958 0.788,959 0.788,960 4.44,961 0.126,962 5.361,963 1.681,964 3.97,965 4.483,966 0.278,967 6.205,968 3.87,969 5.684,970 -0.534,971 6.961,972 0.298,973 3.892,974 4.369,976 7.476,977 3.811,978 7.015,979 -0.924,980 8.68,981 -1.314,982 5.68,983 6.657,984 0.05,985 10.413,986 5.525,987 8.381,988 -1,989 10.47,990 -2.38,991 6.365,992 7.289,994 12.449,995 6.234,996 9.776,997 -1,998 12.304,999 -3,1000 7.737,1001 9.095,1002 0.008,1003 15.026,1004 7.562,1005 11.191,1006 -1.286,1007 14.169,1008 -3,1009 8.717,1010 10.07,1012 17.324,1013 8.557,1014 12.621,1015 -1.414,1016 16.055,1017 -3.459,1018 9.955,1019 11.659,1020 0.001,1021 19.808,1022 9.77,1023 3.328,1024 -1.553,1025 17.956,1026 -3.844,1027 11.054,1028 12.807,1030 22.202,1031 10.872,1032 2.835,1033 11.699,1034 19.869,1035 -4.566,1036 12.25,1037 14.287,1039 24.662,1040 12.053,1041 2.391,1042 8.757,1043 21.792,1044 3.938,1045 13.399,1046 15.527,1048 27.094,1049 13.197,1050 1.555,1051 6.974,1052 23.721,1053 3.752,1054 14.586,1055 16.95,1057 29.549,1058 14.37,1059 1.414,1060 4.318,1061 25.657,1062 3.002,1063 15.757,1064 18.241,1066 31.996,1067 15.533,1068 1.247,1069 3.472,1070 27.597,1071 2.087,1072 16.944,1073 19.634,1075 34.452,1076 16.707,1077 0.688,1078 2.954,1079 29.54,1080 1.985,1081 18.127,1082 20.953,1084 36.906,1085 17.879,1086 2309,1087 3463,1088 11.326,1089 23.75,1090 27.801,1091 27.262,1092 27.52,1093 27.029,1094 27.168,1095 35.217,1096 0.8,1097 80.307,1098 25.67,1099 5.245,1100 5.55,1101 6.806,1102 5.418,1103 5.328,1104 6.938,1105 0.8,1106 18.728,1107 5.278,1108 9.528,1109 1.544,1110 1.515,1111 1.529,1112 1.502,1113 1.509,1114 1.956,1115 0.044,1116 4.462,1117 1.426,1118 3.974,1119 4.007,1120 4.229,1121 3.921,1122 4.887,1123 3.893,1124 3.849,1125 3.883,1126 3.832,1127 3.805,1128 4.703,1129 3.775,1130 3.492,1131 3.544,1132 3.499,1133 3.427,1134 4.213,1135 3.361,1136 3.17,1137 3.257,1138 2.972,1139 3.025,1140 3.908,1141 3.001,1142 2.957,1143 3.034,1144 2.856,1145 2.795,1146 3.821,1147 2.791,1148 2.874,1149 3.009,1150 2.499,1151 2.618,1152 3.467,1153 2.57,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.623,1161 2.724,1162 2.442,1163 2.411,1164 3.399,1165 2.397,1166 0.249,1167 0.197,1168 0.395,1169 0.24,1170 0.185,1171 4.473,1172 0.219,1173 3.55,1174 0.022,1175 7.118,1176 0.65,1177 4.311,1178 0.182,1179 3.328,1180 3.938,1181 0.4,1182 11.699,1183 3.278,1184 1.914,1185 1.885,1186 2.035,1187 2.007,1188 1.208,1189 2.019,1190 1.777,1191 1.73,1192 1.987,1193 1.913,1194 1.137,1195 1.942,1196 1.289,1197 1.284,1198 1.553,1199 1.446,1200 0.605,1201 1.47,1202 1.207,1203 1.128,1204 1.417,1205 1.418,1206 0.521,1207 1.447,1208 1.116,1209 1.05,1210 1.417,1211 1.256,1212 0.469,1213 1.31,1214 0.934,1215 0.804,1216 1.304,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.246,1223 1.239,1224 0.317,1225 1.308,1226 0.815,1227 0.759,1228 1.05,1229 0.976,1230 0.123,1231 1.022,1232 3.611,1233 4.949,1234 2.398,1235 6.457,1236 4.595,1237 8.037,1238 6.605,1239 9.652,1241 8.638,1248 3.372,1253 0.113,1257 21.444,1258 49.163,1259 112.141,1260 131.486,1261 139.486,1262 141.486,1263 141.486,1264 21.361,1265 5.919,1266 24.92,1267 53.16,1268 11,1269 11.88,1270 3.585,1271 2.7,1272 28.517,1273 47,1274 35,1275 0.311,1276 140.359,1277 231.55,1278 334.236,1279 2245,1281 12.466,1282 0.733,1283 0.68,1284 12.82,1285 11.559,1286 7.965,1287 0.443,1288 0.368,1289 5.799,1290 7.394,1291 5.338,1292 4.586,1293 8.419,1294 6.633,1295 8,1296 0.308,1297 0.234,1298 8.577,1299 6.086,1300 5.691,1301 0.19,1302 0.114,1303 6.32,1304 3.417,1305 4.247,1306 0.121,1307 0.07,1308 5.066,1309 2.453,1310 3.147,1311 0.081,1312 0.04,1313 3.802,1314 1.558,1315 0.477,1316 53.15,1317 0.297,1318 17.099,1319 0.879,1320 88,1321 194.838,1322 115.558,1323 220.232,1324 307.14,1325 206,1326 100,1327 218.47,1328 123.147,1329 243.263,1330 349,1331 225,1332 6.046}
{0 CHEMBL382826,1 1.684,2 13.871,3 4.148,4 17.205,5 123.989,6 8.008,7 0.353,8 4.159,9 4.281,10 3.792,11 3.67,12 5.174,13 3.645,14 4.756,15 4.952,16 4.178,17 4.086,18 5.737,19 4.034,20 5.029,21 5.243,22 4.269,23 4.269,24 5.967,25 4.174,26 5.127,27 5.372,28 4.253,29 4.207,30 6.14,31 4.093,32 4.978,33 5.227,34 3.991,35 4.099,36 5.908,37 3.99,38 4.963,39 5.213,40 3.996,41 4.072,42 5.879,43 3.962,44 4.882,45 5.142,46 3.902,47 4.022,48 5.767,49 3.886,50 4.813,51 5.097,52 3.893,53 3.908,54 5.673,55 3.774,56 0.038,57 0.862,58 11.373,59 5.11,60 5.829,61 6.913,62 0.462,63 1.388,64 25.622,65 8.541,66 29.456,67 11.882,68 0.42,69 1.654,70 38.293,71 12.349,72 36.767,73 16.94,74 0.985,75 1.637,76 51.525,77 13.053,78 89.794,79 17.821,80 0.585,81 1.505,82 36.154,83 11.445,84 58.589,85 15.991,86 0.675,87 1.463,88 38.402,89 10.816,90 59.574,91 15.259,92 0.561,93 1.373,94 33.721,95 10.556,96 48.072,97 15.205,98 0.431,99 1.236,100 34.306,101 9.796,102 39.508,103 14.621,104 17,105 47,106 0.277,107 0.557,108 0.748,109 0.841,110 0.864,111 0.864,112 3.471,113 1.003,114 -5.13,115 -5.03,116 -4.71,119 37.9,121 2,122 1,124 1,125 7,138 4,139 1,140 2,141 1,143 1,146 1,151 1,163 4,165 5,166 8,172 8,175 1,176 4,183 3,186 4,187 7,194 4,197 3,198 2,205 1,209 7,217 3,220 4,221 6,231 9,238 1,241 3,242 5,249 1,252 1719,253 20.878,254 20.878,255 20.878,256 20.878,257 20.878,258 19.244,259 29.568,260 12.273,261 21.68,262 16.76,263 16.76,264 16.76,265 16.76,266 16.76,267 14.252,268 39.185,269 5.834,270 18.144,271 4.174,272 2.469,273 1.306,274 0.737,275 0.599,276 0.599,277 4.167,279 2,282 1,283 1,284 928,285 3.082,288 446.631,295 2.4,296 30.998,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 67.167,308 430,309 4.238,310 3.824,311 6.406,312 3.978,313 3.012,314 3.881,315 1.94,316 9.742,317 2.924,318 4.182,319 3.291,320 6.164,321 3.806,322 2.881,323 3.725,324 1.151,325 9.154,326 2.64,327 4.099,328 3.14,329 6.059,330 3.761,331 2.836,332 3.278,333 0.8,334 8.708,335 2.601,336 3.618,337 2.843,338 5.385,339 3.385,340 2.461,341 2.84,342 0.8,343 6.974,344 2.272,345 3.459,346 2.761,347 5.291,348 3.23,349 2.319,350 2.749,351 0.555,352 6.71,353 2.107,354 3.413,355 2.686,356 4.955,357 2.988,358 2.107,359 2.445,361 5.802,362 1.792,363 2.999,364 2.315,365 4.826,366 2.829,367 1.893,368 2.055,370 5.323,371 1.747,372 2.85,373 2.062,374 4.327,375 2.429,376 1.533,377 1.973,379 4.057,380 1.362,381 2.743,382 1.854,383 4.164,384 2.346,385 1.426,386 1.811,388 3.731,389 1.242,390 2.511,391 1.631,392 3.654,393 2.203,394 1.225,395 1.501,397 2.702,398 1.19,399 2.253,400 1.235,401 3.489,402 2.062,403 1.109,404 1.218,406 2.552,407 1.052,408 2.044,409 1.189,410 3.434,411 1.967,412 1,413 1,415 2.275,416 0.965,417 2,418 1.146,419 3.414,420 1.74,421 0.75,422 0.887,424 1.86,425 0.724,426 1.963,427 1.079,428 3.238,429 1.628,430 0.715,431 0.86,433 1.724,434 0.633,435 1.261,436 0.531,437 2.597,438 0.842,444 15.095,445 0.487,446 0.767,447 0.025,448 36,449 1.161,450 14.5,451 0.468,452 21.5,453 0.694,454 30.486,455 0.983,456 34.705,457 0.598,458 26.218,459 0.846,460 6.874,461 0.222,462 8.117,463 0.262,464 0.15,466 0.311,472 0.725,473 1.686,474 0.598,475 1.14,476 0.533,477 1.022,478 0.927,479 0.977,480 0.703,481 0.781,482 0.568,483 0.845,484 1.012,485 1.204,486 0.908,487 1.081,488 0.925,489 1.066,490 1.204,491 0.897,492 0.905,493 0.905,494 1.613,495 0.953,496 1.02,497 0.976,498 0.699,499 0.881,500 1.344,501 0.936,502 1.115,503 0.989,504 0.816,505 0.892,506 1.079,507 0.939,508 0.729,509 0.978,510 0.721,511 0.875,512 0.493,513 0.952,514 0.528,515 1.05,516 0.624,517 0.894,518 0.477,519 0.85,520 6.5,521 0.152,522 3.778,523 1.938,524 1.48,525 0.903,526 0.504,527 0.476,528 0.332,529 0.206,530 14694,531 41241,532 2.084,533 46.6,534 2,535 21,537 1,539 1,540 2,542 1.731,543 1.958,544 3.744,545 -0.703,547 1,550 97.664,551 1.684,552 3.389,553 4.552,554 5.121,555 5.259,556 5.259,557 3.216,558 4.761,559 4.925,560 3.938,561 1831.03,562 8.573,563 27434.1,568 339.763,569 1.383,570 4.888,571 0.191,572 0.006,573 0.08,574 0.04,575 0.036,576 0.024,577 0.014,578 0.014,579 0.011,580 0.007,581 0.423,582 0.17,583 0.88,584 0.541,585 164.598,586 -0.019,587 -0.402,588 0.035,589 -0.149,590 0.016,591 -0.055,592 0.01,593 0.202,594 0.033,595 0.132,596 0.08,597 0.075,598 -0.087,599 -0.15,600 -0.043,601 -0.115,602 -0.029,603 -0.097,604 0.014,605 0.055,606 0.03,607 0.027,608 -0.092,609 -0.011,610 -0.038,611 0.007,612 0.018,613 0.031,614 -0.093,615 0.016,616 -0.081,617 -0.008,618 -0.009,619 0.024,620 -0.051,621 0.008,622 0.084,623 0.01,624 0.046,625 0.05,626 0.141,627 0.018,628 0.175,629 -0.111,630 0.218,631 0.046,632 0.177,633 0.146,634 1.385,635 5.875,636 0.774,637 37.27,638 1.007,639 1.134,640 3.901,641 15.22,642 0.669,643 3.555,644 3.871,645 4.111,646 4.317,647 4.533,648 4.533,649 4.615,650 4.718,651 4.836,652 4.942,653 8.109,654 0.63,655 464.44,656 3.555,657 5.094,658 5.932,659 6.795,660 7.644,661 8.508,662 9.362,663 10.225,664 11.081,665 11.945,666 8.6,669 1,672 1,673 1,676 2,681 5,682 2,686 5,688 12,699 1,701 1,702 2,703 58,705 13,706 1,707 34,709 61,710 22,711 10,712 3,713 3,717 4,718 4,719 2,724 2,725 1,727 2,729 11,730 11,731 1,733 1,737 1,741 1,744 1,747 27,748 7,750 9,751 2,755 5,760 1,761 2,771 1,776 4,784 1,792 1,796 4,801 1,802 2,805 31,810 9,812 1,814 1,815 3,824 2,825 3.4,828 1,830 1,832 15.833,833 10.619,834 6.778,835 3.598,836 2.253,837 1.289,838 0.964,839 7.54,840 10.054,841 3.738,842 4.248,843 4.705,844 5.127,845 5.571,846 5.584,847 5.743,848 6.028,849 6.39,850 6.729,851 1,852 48,853 11.509,854 4.869,855 7.679,856 22.28,857 18.44,859 2.179,860 67.556,864 317.82,865 99.25,866 42.944,867 78.297,868 36.145,871 99.25,872 432.262,873 42.944,874 8.396,875 25.42,876 37.905,877 75.192,878 36.483,879 6.714,880 306.049,881 78.297,882 317.82,883 142.194,884 36.145,885 78.297,887 294.278,888 59.687,891 39.491,892 69.132,893 111.868,895 317.82,896 79.089,897 177.547,900 317.82,901 43.901,902 64.722,904 148.013,905 317.82,906 79.089,907 177.547,909 0.584,910 0.337,911 0.174,912 0.094,913 22,914 10,915 0.082,916 5,918 1,919 4.336,920 269.562,922 24,923 149.58,928 22.591,929 10.346,930 5.805,932 79.089,933 8.735,934 8.94,938 3.091,941 574.455,942 41,946 12.875,950 0.282,952 58.414,953 65.781,954 0.287,955 0.578,956 0.777,957 0.874,958 0.898,959 0.898,960 4.99,961 1.533,962 5.911,963 5.323,964 4.554,965 4.934,966 2.506,967 6.683,968 4.401,969 6.152,970 1.426,971 7.451,972 4.057,973 4.111,974 4.649,975 1.803,976 7.493,977 3.831,978 7.431,979 1.225,980 9.086,981 3.731,982 6.12,983 6.963,984 3.173,985 10.551,986 5.838,987 8.736,988 1.109,989 10.776,990 2.702,991 6.463,992 7.453,993 3.157,994 12.158,995 6.078,996 10.073,997 1,998 12.501,999 2.552,1000 7.944,1001 9.282,1002 4.212,1003 14.722,1004 7.546,1005 11.429,1006 0.75,1007 14.25,1008 2.275,1009 8.655,1010 10.137,1011 4.543,1012 16.669,1013 8.179,1014 12.801,1015 0.715,1016 16.017,1017 1.86,1018 9.909,1019 11.752,1020 5.411,1021 19.047,1022 9.408,1023 3.012,1025 17.797,1026 1.724,1027 10.803,1028 12.801,1029 5.912,1030 21.151,1031 10.242,1032 2.881,1033 9.742,1034 19.586,1036 11.955,1037 14.306,1038 6.68,1039 23.452,1040 11.363,1041 2.836,1042 9.154,1043 21.384,1044 3.881,1045 12.94,1046 15.466,1047 7.263,1048 25.63,1049 12.299,1050 2.461,1051 8.708,1052 23.189,1053 3.725,1054 14.048,1055 16.907,1056 7.98,1057 27.9,1058 13.373,1059 2.319,1060 6.974,1061 24.999,1062 3.278,1063 15.078,1064 18.135,1065 8.602,1066 30.114,1067 14.363,1068 2.107,1069 6.71,1070 26.813,1071 2.84,1072 16.167,1073 19.537,1074 9.293,1075 32.372,1076 15.418,1077 1.893,1078 5.802,1079 28.631,1080 2.749,1081 17.221,1082 20.808,1083 9.936,1084 34.605,1085 16.436,1086 13912,1087 23611,1088 22.77,1089 38.79,1090 51.09,1091 52.408,1092 52.198,1093 50.926,1094 50.532,1095 60.446,1096 10.493,1097 142.625,1098 46.502,1099 5.238,1100 5.824,1101 5.958,1102 5.067,1103 5.012,1104 6.881,1105 3.348,1106 16.552,1107 4.924,1108 15.266,1109 1.503,1110 1.541,1111 1.535,1112 1.498,1113 1.486,1114 1.778,1115 0.309,1116 4.195,1117 1.368,1118 3.979,1119 4.029,1120 4.095,1121 3.886,1122 7.427,1123 3.879,1124 3.905,1125 3.933,1126 3.88,1127 3.768,1128 5.066,1129 3.778,1130 3.838,1131 3.895,1132 3.77,1133 3.663,1134 4.988,1135 3.683,1136 3.683,1137 3.744,1138 3.602,1139 3.496,1140 4.633,1141 3.507,1142 3.333,1143 3.397,1144 3.57,1145 3.11,1146 4.436,1147 3.124,1148 3.221,1149 3.297,1150 3.241,1151 3.055,1152 4.353,1153 3.049,1154 3.195,1155 3.248,1156 3.179,1157 2.994,1158 4.233,1159 2.978,1160 3.111,1161 3.206,1162 2.986,1163 2.941,1164 4.05,1165 2.91,1166 0.125,1167 0.112,1168 0.188,1169 0.117,1170 0.089,1171 4.238,1172 0.114,1173 3.824,1174 0.057,1175 6.406,1176 0.287,1177 3.978,1178 0.086,1179 3.012,1180 3.881,1181 1.94,1182 9.742,1183 2.924,1184 1.896,1185 1.881,1186 2.06,1187 2.075,1188 1.418,1189 2.069,1190 1.87,1191 1.815,1192 1.968,1193 2.005,1194 1.265,1195 2,1196 1.782,1197 1.724,1198 1.949,1199 1.952,1200 1.133,1201 1.964,1202 1.63,1203 1.574,1204 1.768,1205 1.834,1206 0.832,1207 1.821,1208 1.279,1209 1.21,1210 1.606,1211 1.541,1212 0.825,1213 1.562,1214 1.212,1215 1.125,1216 1.513,1217 1.45,1218 0.761,1219 1.47,1220 1.157,1221 1.113,1222 1.51,1223 1.38,1224 0.748,1225 1.429,1226 1.153,1227 1.064,1228 1.392,1229 1.376,1230 0.573,1231 1.389,1232 4.234,1233 5.549,1235 7.057,1237 8.646,1239 10.274,1241 2.088,1242 12.155,1247 7.114,1249 5.818,1251 0.123,1252 6.334,1257 36.513,1258 97.664,1259 196.536,1260 263.988,1261 297.008,1262 305.008,1263 305.008,1264 57.38,1265 7.801,1266 61.8,1267 61.8,1268 24,1269 12.494,1270 3.807,1271 3,1272 49.75,1273 151,1274 145,1275 0.158,1276 230.366,1277 402.44,1278 553.854,1279 29873,1280 3.4,1281 21.794,1282 0.703,1283 0.618,1284 22.794,1285 19.148,1286 14.991,1287 0.441,1288 0.334,1289 10.502,1290 13.764,1291 10.205,1292 8.372,1293 15.569,1294 11.37,1295 13.591,1296 0.289,1297 0.191,1298 14.371,1299 8.977,1300 11.325,1301 0.189,1302 0.107,1303 11.941,1304 6.443,1305 9.115,1306 0.123,1307 0.062,1308 9.811,1309 4.572,1310 7.234,1311 0.079,1312 0.034,1313 7.592,1314 3.107,1315 0.255,1316 100.493,1317 0.21,1318 29.765,1319 0.41,1320 162,1321 480.103,1322 209.425,1323 516.051,1324 679.47,1325 482,1326 188,1327 445.492,1328 227.494,1329 467.788,1330 684.78,1331 438,1332 5.921}
{0 CHEMBL383736,1 1.468,2 7.118,3 3.568,4 12.733,5 72.212,6 8.288,7 0.842,8 3.473,9 3.579,10 3.22,11 3.187,12 4.566,13 3.114,14 3.933,15 4.073,16 3.579,17 3.534,18 4.983,19 3.446,20 4.09,21 4.281,22 3.441,23 3.554,24 5.059,25 3.437,26 4.078,27 4.286,28 3.316,29 3.487,30 4.986,31 3.327,32 3.943,33 4.164,34 3.264,35 3.359,36 4.873,37 3.203,38 3.826,39 4.055,40 3.161,41 3.262,42 4.718,43 3.081,44 3.59,45 3.788,46 2.778,47 3.052,48 4.502,49 2.874,50 3.446,51 3.692,52 2.084,53 2.722,54 4.222,55 2.495,56 0.024,57 0.392,58 5.421,59 2.537,60 4.943,61 3.19,62 0.09,63 0.659,64 11.105,65 4.375,66 9.075,67 5.516,68 0.09,69 0.763,70 12.83,71 5.126,72 13.067,73 6.416,74 0.082,75 0.754,76 15.456,77 5.959,78 12.071,79 7.148,80 0.099,81 0.678,82 12.931,83 4.833,84 13.201,85 5.799,86 0.074,87 0.589,88 13.271,89 5.004,90 11.129,91 5.9,92 0.057,93 0.455,94 10.378,95 3.894,96 8.327,97 4.505,98 0.034,99 0.362,100 7.561,101 3.219,102 7.121,103 4.283,104 2,105 26,106 0.278,107 0.59,108 0.698,109 0.8,110 0.862,111 0.888,112 2.909,113 1.007,114 -4.62,115 -4.54,116 -4.27,119 48.3,120 1,138 7,139 2,140 1,142 1,147 1,155 1,163 9,166 2,169 1,171 3,172 11,181 3,183 10,187 2,192 4,194 7,198 3,203 1,205 5,209 3,217 5,221 1,227 4,238 3,249 1,252 303,253 11.723,254 11.723,255 11.723,256 11.723,257 11.723,258 9.79,259 11.912,260 7.044,261 12.046,262 9.415,263 9.415,264 9.415,265 9.415,266 9.415,267 6.611,268 20.888,269 3.371,270 9.968,271 3.39,272 1.738,273 1.17,274 0.63,275 0.302,276 0.164,277 3.59,282 1,283 1,284 265,285 1.871,287 39.282,288 73.756,292 63.307,295 0.962,296 5.928,299 1,300 1,301 1,302 0.6,304 1,305 1,306 0.8,307 35,308 121,309 4.501,310 3.114,311 6.515,312 4.032,313 3.048,314 4.433,315 0.4,316 10.243,317 3.007,318 4.081,319 2.791,320 5.594,321 3.566,322 2.677,323 3.709,325 7.682,326 2.379,327 3.507,328 2.275,329 5.161,330 3.089,331 2.118,332 2.903,334 6.186,335 2.054,336 3.118,337 1.855,338 4.595,339 2.627,340 1.705,341 2.427,343 4.786,344 1.618,345 3.066,346 1.618,347 4.126,348 2.618,349 1.618,350 2.249,352 3.748,353 1.548,354 2.766,355 1.272,356 3.591,357 2.267,358 1.269,359 1.898,361 2.824,362 1.266,363 2.349,364 0.96,365 3.332,366 1.872,367 0.901,368 1.283,370 2.101,371 0.869,372 2.199,373 0.744,374 3.264,375 1.518,376 0.717,377 1.055,379 1.707,380 0.563,381 1.318,382 0.121,383 2.779,384 0.934,385 -0.017,386 -0.022,388 -0.045,389 -0.016,390 0.882,391 -0.37,392 2.323,393 0.382,394 -0.604,395 -0.773,397 -1.478,398 -0.578,399 0.761,400 -0.618,401 2,402 0.36,403 -0.618,404 -0.927,406 -1.504,407 -0.618,408 0.469,409 -0.679,410 1.925,411 0.096,412 -0.85,413 -1.094,415 -2.069,416 -0.774,417 0.321,418 -1.01,419 1.603,420 -0.107,421 -1.076,422 -1.495,424 -2.733,425 -1.039,426 -0.062,427 -1.424,428 1.449,429 -0.549,430 -1.507,431 -2.038,433 -4.172,434 -1.416,435 -0.167,436 -1.641,437 1.178,438 -0.686,439 -1.649,440 -2.453,442 -4.548,443 -1.455,444 8.633,445 0.508,446 0.346,447 0.02,448 25,449 1.471,450 14.5,451 0.853,452 10.5,453 0.618,454 10.385,455 0.611,456 16.567,457 0.571,458 13.595,459 0.8,460 4.826,461 0.284,462 3.5,463 0.206,464 0.058,466 0.29,472 0.95,473 0.979,474 0.718,475 0.767,476 0.995,477 0.778,478 0.616,479 1.141,480 0.854,481 1.033,482 0.694,483 0.913,484 1.381,485 1.038,486 0.928,487 0.911,488 1.266,489 0.988,490 1.131,491 1.18,492 1.198,493 1.181,494 0.881,495 1.117,496 1.546,497 0.904,498 1.043,499 0.882,500 1.239,501 0.919,502 1.044,503 0.877,504 1.14,505 0.984,506 0.915,507 0.873,508 1.149,509 1.02,510 1.497,511 1.314,512 1.208,513 1.184,514 0.618,515 1.085,516 1.064,517 1.221,518 1.094,519 1.381,520 3,522 1.556,523 1.132,524 0.556,525 0.288,526 0.192,527 0.153,528 0.057,529 0.016,530 2432,531 6048,532 2.163,533 41.4,535 7,536 1,538 1,539 3,542 1.57,543 2.082,544 2.863,545 -0.314,547 1,548 1,550 42.559,551 1.468,552 3.12,553 3.688,554 4.228,555 4.556,556 4.694,557 2.207,558 3.735,559 4.063,560 2.93,561 398.467,562 6.871,563 3552.18,564 1,565 1,567 1,568 140.881,569 1.166,570 4.043,571 0.158,573 0.06,574 0.049,575 0.029,576 0.017,577 0.013,578 0.014,579 0.011,580 0.016,581 0.367,582 0.83,583 1,584 0.481,585 69.55,586 -0.033,588 0.066,589 0.068,590 -0.163,591 0.051,592 0.376,593 -0.155,594 0.068,595 -0.116,596 0.191,597 -0.034,598 -0.205,599 -0.031,600 -0.099,601 -0.054,602 -0.229,603 -0.098,604 -0.093,605 -0.196,606 -0.157,607 -0.178,608 0.015,609 -0.157,610 -0.246,611 0.144,612 -0.015,613 0.098,614 -0.158,615 0.024,616 -0.04,617 0.12,618 0.069,619 0.135,620 0.141,621 0.147,622 -0.269,623 -0.045,624 -0.333,625 -0.223,626 -0.2,627 -0.199,628 -0.099,629 -0.253,630 -0.262,631 -0.317,632 -0.242,633 -0.362,634 0.723,635 1.42,636 0.882,637 8.913,638 0.99,639 1.103,640 3.39,641 11.491,642 0.74,643 2.996,644 3.296,645 3.555,646 3.829,647 3.97,648 3.932,649 4.043,650 4.111,651 4.111,652 3.871,653 4.321,654 0.685,655 240.35,656 2.996,657 4.511,658 5.352,659 6.221,660 7.077,661 7.951,662 8.813,663 9.687,664 10.552,665 11.426,666 6.9,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 29,705 16,706 2,707 19,709 31,710 14,711 13,712 3,713 7,717 3,718 4,721 1,729 13,730 1,744 1,747 12,748 2,749 1,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 1,805 17,811 1,819 1,832 8.167,833 5.533,834 3.722,835 1.669,836 3.143,837 1.492,838 1.043,839 2.712,840 9.528,841 3.332,842 3.984,843 4.609,844 5.232,845 5.699,846 5.929,847 6.364,848 6.773,849 7.141,850 7.062,851 0.8,852 23,853 6.242,854 2.599,855 7.48,856 12.185,857 9.955,859 1.98,860 33.667,861 0.003,864 129.482,865 125.246,866 34.796,870 31.278,871 93.968,872 129.482,873 34.796,874 8.825,876 73.983,877 16.786,878 29.171,879 11.771,880 148.989,882 129.482,883 128.764,885 31.278,887 129.482,891 30.093,892 81.885,893 16.786,894 31.278,895 129.482,896 34.796,897 125.246,900 129.482,901 42.438,902 82.808,903 18.011,904 16.786,905 129.482,906 34.796,907 125.246,909 0.575,910 0.333,911 0.189,912 0.097,913 14,914 5,915 0.065,916 2,917 1,918 1.133,919 3.03,920 120.476,921 0.133,922 15,923 67.487,924 1,928 10.574,929 4.36,930 2.119,931 2.466,932 34.796,933 16.664,934 4.42,937 1.631,938 3.106,940 18.011,941 289.524,942 27,952 28.698,953 31.993,954 0.302,955 0.642,956 0.759,957 0.87,958 0.938,959 0.966,960 4.522,961 0.717,962 5.313,963 2.101,964 3.97,965 4.668,966 0.278,967 6.089,968 3.87,969 5.737,970 -0.017,971 6.841,972 1.707,973 3.434,974 4.407,976 6.899,977 3.303,978 7.039,979 -0.604,980 8.469,981 -0.045,982 5.517,983 6.943,984 0.05,985 10.007,986 5.337,987 8.382,988 -0.618,989 10.159,990 -1.478,991 5.832,992 7.573,994 11.7,995 5.62,996 9.758,997 -0.85,998 11.89,999 -1.504,1000 7.352,1001 9.513,1002 0.008,1003 14.297,1004 7.116,1005 11.158,1006 -1.076,1007 13.652,1008 -2.069,1009 8.077,1010 10.58,1012 16.355,1013 7.822,1014 12.578,1015 -1.507,1016 15.435,1017 -2.733,1018 9.353,1019 12.259,1020 0.001,1021 18.777,1022 9.086,1023 3.048,1024 -1.649,1025 17.236,1026 -4.172,1027 10.277,1028 13.541,1030 20.988,1031 9.999,1032 2.677,1033 10.243,1034 19.049,1035 -4.548,1036 11.448,1037 15.105,1039 23.348,1040 11.163,1041 2.118,1042 7.682,1043 20.873,1044 4.433,1045 12.466,1046 16.492,1048 25.623,1049 12.175,1050 1.705,1051 6.186,1052 22.706,1053 3.709,1054 13.594,1055 18.007,1057 27.961,1058 13.298,1059 1.618,1060 4.786,1061 24.546,1062 2.903,1063 14.656,1064 19.443,1066 30.264,1067 14.357,1068 1.269,1069 3.748,1070 26.391,1071 2.427,1072 15.767,1073 20.939,1075 32.594,1076 15.464,1077 0.901,1078 2.824,1079 28.241,1080 2.249,1081 16.851,1082 22.4,1084 34.91,1085 16.544,1086 2351,1087 3803,1088 13.118,1089 21.466,1090 28.437,1091 28.098,1092 28.651,1093 28.022,1094 28.104,1095 39.916,1096 0.8,1097 78.553,1098 26.61,1099 5.274,1100 5.114,1101 6.204,1102 5.134,1103 5.048,1104 7.433,1105 0.8,1106 17.083,1107 5.007,1108 4.943,1109 1.497,1110 1.479,1111 1.508,1112 1.475,1113 1.479,1114 2.101,1115 0.042,1116 4.134,1117 1.401,1118 4.089,1119 4.112,1120 4.224,1121 4.047,1122 4.944,1123 4.041,1124 3.822,1125 3.849,1126 4.012,1127 3.809,1128 4.802,1129 3.735,1130 3.466,1131 3.513,1132 3.367,1133 3.385,1134 4.343,1135 3.373,1136 3.155,1137 3.23,1138 3.047,1139 3.017,1140 3.987,1141 3.01,1142 2.963,1143 3.032,1144 2.958,1145 2.872,1146 3.695,1147 2.802,1148 2.679,1149 2.763,1150 2.568,1151 2.576,1152 3.454,1153 2.561,1154 2.641,1155 2.714,1156 2.526,1157 2.458,1158 3.402,1159 2.438,1160 2.324,1161 2.421,1162 2.195,1163 2.133,1164 3.281,1165 2.123,1166 0.237,1167 0.164,1168 0.343,1169 0.212,1170 0.16,1171 4.501,1172 0.233,1173 3.114,1174 0.021,1175 6.515,1176 0.539,1177 4.032,1178 0.158,1179 3.048,1180 4.433,1181 0.4,1182 10.243,1183 3.007,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.531,1191 1.483,1192 1.745,1193 1.708,1194 0.831,1195 1.722,1196 1.498,1197 1.46,1198 1.667,1199 1.615,1200 0.707,1201 1.641,1202 1.286,1203 1.264,1204 1.336,1205 1.413,1206 0.483,1207 1.441,1208 1.008,1209 0.975,1210 1.108,1211 1.102,1212 0.319,1213 1.158,1214 0.743,1215 0.648,1216 1.073,1217 0.997,1218 0.099,1219 1.051,1220 0.687,1221 0.626,1222 0.948,1223 0.838,1224 0.057,1225 0.878,1226 0.515,1227 0.434,1228 0.787,1229 0.742,1231 0.78,1232 3.664,1233 4.963,1234 2.398,1235 6.46,1236 4.595,1237 8.05,1238 6.529,1239 9.691,1241 2.005,1248 3.375,1257 19.864,1258 42.559,1259 90.475,1260 106.965,1261 122.617,1262 132.127,1263 136.127,1264 14.928,1265 6.385,1266 24.92,1267 53.16,1268 17,1269 11.968,1270 4.087,1271 3.17,1272 23.697,1273 43,1274 43,1275 0.274,1276 127.111,1277 203.01,1278 301.91,1279 4352,1281 11.665,1282 0.686,1283 0.605,1284 12.018,1285 10.291,1286 8.326,1287 0.438,1288 0.336,1289 5.543,1290 7.747,1291 5.277,1292 4.42,1293 8.781,1294 6.377,1295 7.419,1296 0.285,1297 0.185,1298 7.997,1299 4.804,1300 6.163,1301 0.181,1302 0.104,1303 6.863,1304 3.526,1305 5.331,1306 0.118,1307 0.057,1308 6.018,1309 2.561,1310 4.092,1311 0.079,1312 0.031,1313 4.565,1314 1.594,1315 0.413,1316 55.317,1317 0.276,1318 16.95,1319 0.796,1320 90,1321 218.838,1322 117.558,1323 243.582,1324 344.45,1325 230,1326 105,1327 248.47,1328 127.648,1329 270.908,1330 393.8,1331 255,1332 5.523}
{0 CHEMBL394467,1 1.591,2 14.5,3 3.115,4 9.703,5 132.556,6 7.479,7 0.447,8 4.254,9 4.366,10 3.956,11 3.84,12 5.231,13 3.788,14 4.851,15 5.021,16 4.286,17 4.267,18 5.967,19 4.191,20 5.171,21 5.39,22 4.369,23 4.448,24 6.14,25 4.322,26 5.253,27 5.48,28 4.342,29 4.392,30 6.316,31 4.283,32 5.183,33 5.405,34 4.252,35 4.315,36 6.426,37 4.216,38 5.106,39 5.327,40 4.178,41 4.328,42 6.11,43 4.202,44 5.169,45 5.416,46 4.094,47 4.325,48 6.103,49 4.173,50 5.112,51 5.368,52 3.935,53 4.194,54 6.06,55 4.045,56 0.075,57 0.975,58 16.506,59 6.379,60 15.556,61 8.118,62 0.399,63 1.651,64 28.396,65 10.714,66 56.033,67 14.217,68 0.427,69 2.133,70 46.455,71 16.098,72 59.993,73 20.481,74 0.588,75 2.125,76 52.4,77 16.579,78 97.575,79 20.882,80 0.91,81 1.942,82 45.802,83 14.504,84 168.87,85 18.523,86 0.426,87 1.9,88 41.665,89 14.561,90 77.189,91 18.88,92 0.462,93 1.964,94 46.694,95 16.141,96 74.862,97 20.992,98 0.488,99 1.779,100 44.353,101 14.558,102 87.01,103 19.361,104 10,105 54,106 0.252,107 0.547,108 0.722,109 0.843,110 0.861,111 0.871,112 3.56,113 1.056,114 -3.22,115 -3.21,116 -3.08,119 40.6,121 4,125 4,127 2,138 10,139 2,140 1,141 1,142 1,151 1,163 12,165 3,166 6,169 1,171 2,172 14,175 2,176 9,179 1,181 1,183 10,187 14,190 1,192 1,194 4,197 2,198 11,201 2,205 9,208 1,209 8,214 2,217 8,220 1,221 10,224 1,226 3,227 6,231 3,236 3,238 8,241 3,242 3,247 3,249 6,252 2220,253 23.134,254 23.134,255 23.134,256 23.134,257 23.134,258 20.746,259 24.96,260 13.661,261 23.54,262 18.785,263 18.785,264 18.785,265 18.785,266 18.785,267 15.154,268 36.546,269 6.507,270 19.455,271 4.409,272 2.548,273 1.441,274 0.68,275 0.562,276 0.5,277 4.267,283 1,284 1094,285 3.873,287 102.263,288 432.556,292 161.945,295 2.294,296 42.839,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 73,308 493,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.897,322 2.908,323 4.25,324 0.916,325 9.495,326 2.88,327 3.997,328 3.02,329 6.136,330 3.753,331 2.779,332 3.457,333 0.465,334 8.963,335 2.693,336 3.935,337 2.868,338 5.625,339 3.632,340 2.677,341 3.166,342 0.172,343 7.792,344 2.547,345 3.572,346 2.683,347 5.444,348 3.401,349 2.435,350 2.651,351 0.132,352 7.061,353 2.35,354 3.305,355 2.546,356 5.204,357 3.036,358 2.098,359 2.558,361 6.01,362 1.962,363 3.144,364 2.241,365 4.947,366 2.808,367 1.82,368 2.427,370 5.491,371 1.786,372 3.118,373 1.698,374 4.466,375 2.618,376 1.618,377 2.23,379 4.407,380 1.618,381 2.926,382 1.618,383 4.334,384 2.578,385 1.577,386 2.043,388 3.998,389 1.574,390 2.828,391 1.519,392 3.727,393 2.396,394 1.413,395 1.941,397 3.038,398 1.387,399 2.778,400 1.396,401 3.601,402 2.334,403 1.336,404 1.797,406 2.962,407 1.331,408 2.5,409 1.21,410 3.584,411 1.984,412 1,413 1.5,415 2.275,416 0.983,417 2.16,418 1.077,419 3.414,420 1.958,421 1,422 1.002,424 2.155,425 0.956,426 2,427 1,428 3.397,429 1.811,430 0.838,431 1,433 2.136,434 0.812,435 1.936,436 0.982,437 3.247,438 1.755,439 0.777,440 0.868,442 1.984,443 0.755,444 16.433,445 0.483,446 0.841,447 0.025,448 42.5,449 1.25,450 20.5,451 0.603,452 22,453 0.647,454 31.886,455 0.938,456 36.967,457 0.578,458 33.685,459 0.991,460 7.901,461 0.232,462 8.602,463 0.253,464 0.061,465 0.051,466 0.262,472 0.543,473 1.402,474 0.828,475 1.226,476 0.577,477 1,478 0.697,479 1.15,480 0.89,481 0.974,482 0.521,483 1.002,484 0.937,485 1.036,486 1.185,487 1.129,488 0.802,489 1.032,490 1.465,491 1.036,492 1.153,493 1.09,494 1.597,495 0.974,496 1.585,497 0.89,498 1.066,499 0.852,500 1.693,501 0.909,502 1.154,503 1.063,504 1.117,505 1.074,506 1.119,507 1.07,508 1.042,509 0.978,510 1.134,511 1.093,512 1.038,513 1.05,514 1.235,515 0.997,516 1.067,517 1.016,518 1.324,519 0.994,520 7,521 0.199,522 4.222,523 2.306,524 2.384,525 1.038,526 0.799,527 0.594,528 0.315,529 0.224,530 18965,531 45842,532 2.138,533 46.9,535 20,537 1,538 1,540 4,541 4,542 1.757,543 2.03,544 3.789,545 -0.363,550 101.827,551 1.591,552 3.452,553 4.559,554 5.32,555 5.438,556 5.5,557 3.268,558 4.735,559 5.055,560 3.965,561 2224.49,562 8.848,563 34641.5,568 384,569 1.396,570 5.027,571 0.184,572 0.007,573 0.078,574 0.042,575 0.046,576 0.021,577 0.017,578 0.014,579 0.009,580 0.007,581 0.425,582 0.33,583 0.75,584 0.459,585 184.184,586 0.096,587 -0.189,588 0.202,589 -0.074,590 -0.074,591 0.018,592 0.186,593 -0.005,594 0.033,595 0.012,596 0.18,597 -0.042,598 -0.009,599 0.034,600 -0.047,601 -0.047,602 0.017,603 -0.042,604 -0.112,605 -0.054,606 -0.021,607 -0.057,608 -0.133,609 -0.008,610 -0.022,611 0.082,612 -0.045,613 0.09,614 0.041,615 0.02,616 -0.096,617 -0.056,618 -0.1,619 -0.07,620 -0.049,621 -0.092,622 -0.051,623 -0.016,624 -0.082,625 -0.074,626 -0.034,627 -0.055,628 -0.112,629 -0.083,630 -0.054,631 -0.041,632 -0.107,633 -0.01,634 4.668,635 6.435,636 0.794,637 42.069,638 0.999,639 1.124,640 1.992,641 3.967,642 0.671,643 3.664,644 4.007,645 4.29,646 4.543,647 4.754,648 4.771,649 4.905,650 5.03,651 5.124,652 5.159,653 8.213,654 0.629,655 478.67,656 3.664,657 5.22,658 6.08,659 6.967,660 7.843,661 8.735,662 9.619,663 10.514,664 11.404,665 12.302,666 6.3,669 2,673 1,676 1,680 2,681 11,682 1,686 2,688 17,703 64,705 20,706 2,707 38,709 68,710 26,711 15,712 3,713 7,717 5,718 6,724 6,727 6,729 16,730 10,733 3,736 1,737 3,741 1,747 30,748 7,749 1,750 8,751 1,755 4,760 0.8,761 3,770 1,773 1,775 1,776 4,780 1,783 1,792 1,796 4,799 1,805 34,808 1,810 8,811 1,814 2,815 2,825 4.7,828 3,832 16.75,833 11.1,834 7.333,835 4.033,836 3.01,837 1.364,838 1.004,839 6.757,840 11.287,841 3.922,842 4.511,843 5.024,844 5.536,845 6.073,846 6.278,847 6.662,848 6.957,849 7.281,850 7.166,851 0.9,852 55,853 13.008,854 5.994,855 7.748,856 24.718,857 21.47,859 2.248,860 76.417,864 341.362,865 142.336,866 39.439,868 69.458,870 5.807,871 136.529,872 410.82,873 39.439,875 36.572,876 100.57,877 102.719,878 23.144,880 329.591,882 341.362,883 175.968,884 69.458,885 5.807,887 247.193,888 163.627,891 53.019,892 106.164,893 22.593,895 341.362,896 108.897,897 142.336,899 5.807,900 341.362,901 32.719,902 108.453,903 18.011,904 86.243,905 341.362,906 108.897,907 142.336,909 0.586,910 0.346,911 0.186,912 0.1,913 27,914 11,915 0.088,916 6,917 1,918 1.074,919 4.565,920 322.091,921 0.074,922 27,923 166.974,927 1,928 23.134,929 9.931,930 5.088,931 1.868,932 108.897,933 20.603,934 4.392,938 1.291,940 18.011,941 592.595,942 49.5,945 -3.751,946 40.016,950 -0.176,952 63.952,953 71.939,954 0.265,955 0.575,956 0.76,957 0.887,958 0.906,959 0.917,960 5.178,961 1.618,962 6.084,963 5.491,964 4.691,965 5.198,966 2.242,967 6.94,968 4.62,969 6.384,970 1.577,971 7.676,972 4.407,973 4.369,974 5.173,975 1.668,976 8.138,977 4.215,978 7.716,979 1.413,980 9.387,981 3.998,982 6.358,983 7.453,984 3.075,985 11.244,986 6.186,987 9.093,988 1.336,989 11.179,990 3.038,991 6.909,992 8.316,993 3.135,994 13.363,995 6.633,996 10.514,997 1,998 13.028,999 2.962,1000 8.384,1001 10.119,1002 4.217,1003 16.097,1004 8.08,1005 11.968,1006 1,1007 14.919,1008 2.275,1009 9.324,1010 11.368,1011 4.564,1012 18.553,1013 8.913,1014 13.447,1015 0.838,1016 16.842,1017 2.155,1018 10.625,1019 13.005,1020 5.468,1021 21.207,1022 10.165,1023 3.565,1024 0.777,1025 18.79,1026 2.136,1027 11.739,1028 14.421,1029 5.961,1030 23.779,1031 11.176,1032 2.908,1033 13.976,1034 20.759,1035 1.984,1036 12.991,1037 15.998,1038 6.764,1039 26.417,1040 12.36,1041 2.779,1042 9.495,1043 22.743,1044 4.791,1045 14.183,1046 17.488,1047 7.335,1048 29.031,1049 13.454,1050 2.677,1051 8.963,1052 24.74,1053 4.25,1054 15.427,1055 19.045,1056 8.08,1057 31.666,1058 14.619,1059 2.435,1060 7.792,1061 26.747,1062 3.457,1063 16.656,1064 20.568,1065 8.695,1066 34.295,1067 15.753,1068 2.098,1069 7.061,1070 28.762,1071 3.166,1072 17.905,1073 22.12,1074 9.407,1075 36.931,1076 16.917,1077 1.82,1078 6.01,1079 30.783,1080 2.651,1081 19.152,1082 23.659,1083 10.046,1084 39.564,1085 18.072,1086 17458,1087 27343,1088 25.83,1089 42.932,1090 57.222,1091 58.818,1092 57.927,1093 57.432,1094 57.373,1095 73.433,1096 7.282,1097 167.532,1098 55.524,1099 5.958,1100 6.734,1101 7.537,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 12.842,1109 1.506,1110 1.548,1111 1.524,1112 1.511,1113 1.51,1114 1.932,1115 0.192,1116 4.409,1117 1.461,1118 4.167,1119 4.165,1120 4.746,1121 4.146,1122 7.715,1123 4.095,1124 3.955,1125 4.002,1126 3.968,1127 3.862,1128 7.428,1129 3.828,1130 3.915,1131 3.947,1132 3.856,1133 3.798,1134 6.999,1135 3.79,1136 3.792,1137 3.841,1138 3.732,1139 3.666,1140 4.899,1141 3.657,1142 3.641,1143 3.643,1144 3.604,1145 3.547,1146 4.874,1147 3.513,1148 3.362,1149 3.43,1150 3.26,1151 3.194,1152 4.36,1153 3.164,1154 3.28,1155 3.297,1156 3.23,1157 3.124,1158 4.28,1159 3.13,1160 3.141,1161 3.206,1162 2.999,1163 2.961,1164 4.2,1165 2.964,1166 0.13,1167 0.125,1168 0.204,1169 0.118,1170 0.094,1171 4.958,1172 0.126,1173 4.734,1174 0.051,1175 7.735,1176 0.368,1177 4.494,1178 0.087,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.411,1189 2.161,1190 1.885,1191 1.835,1192 2.057,1193 2.059,1194 1.324,1195 2.063,1196 1.788,1197 1.756,1198 1.941,1199 1.941,1200 1.216,1201 1.944,1202 1.713,1203 1.715,1204 1.855,1205 1.848,1206 1.068,1207 1.878,1208 1.602,1209 1.546,1210 1.691,1211 1.772,1212 1.032,1213 1.803,1214 1.418,1215 1.364,1216 1.609,1217 1.594,1218 0.825,1219 1.606,1220 1.248,1221 1.192,1222 1.513,1223 1.468,1224 0.756,1225 1.484,1226 1.153,1227 1.101,1228 1.492,1229 1.376,1230 0.713,1231 1.429,1232 4.344,1233 5.68,1234 2.398,1235 7.216,1236 4.595,1237 8.839,1238 6.629,1239 10.509,1247 5.879,1248 3.141,1251 -0.582,1252 3.736,1257 40.265,1258 101.827,1259 220.913,1260 291.761,1261 340.49,1262 348,1263 352,1264 76.504,1265 8.277,1266 82.61,1267 90.99,1268 29,1269 12.827,1270 4.392,1271 3.644,1272 50.255,1273 165,1274 184,1275 0.144,1276 247.155,1277 428.98,1278 594.817,1279 56056,1281 23.545,1282 0.693,1283 0.587,1284 23.795,1285 19.954,1286 16.503,1287 0.434,1288 0.352,1289 11.932,1290 15.231,1291 11.597,1292 9.529,1293 17.292,1294 13.379,1295 15.177,1296 0.281,1297 0.205,1298 16.477,1299 11.053,1300 12.911,1301 0.179,1302 0.122,1303 14.225,1304 8.784,1305 10.743,1306 0.116,1307 0.072,1308 11.986,1309 6.699,1310 8.664,1311 0.075,1312 0.042,1313 9.87,1314 4.872,1315 0.231,1316 110.473,1317 0.197,1318 31.906,1319 0.38,1320 184,1321 495.335,1322 239.013,1323 500.488,1324 682.18,1325 464,1326 218,1327 471.572,1328 283.11,1329 514.717,1330 754.97,1331 485,1332 5}
{0 CHEMBL394642,1 1.317,2 14.531,3 4.269,4 18.226,5 131.279,6 6.579,7 0.472,8 4.246,9 4.379,10 3.725,11 3.826,12 5.18,13 3.771,14 4.839,15 5.031,16 4.069,17 4.255,18 5.703,19 4.168,20 5.165,21 5.407,22 4.091,23 4.417,24 5.962,25 4.278,26 5.237,27 5.515,28 4.007,29 4.364,30 6.011,31 4.207,32 5.151,33 5.415,34 3.961,35 4.303,36 5.994,37 4.161,38 5.109,39 5.361,40 3.948,41 4.315,42 5.91,43 4.162,44 5.165,45 5.446,46 3.866,47 4.301,48 5.88,49 4.121,50 5.088,51 5.381,52 3.751,53 4.178,54 5.82,55 3.996,56 0.068,57 0.926,58 15.111,59 6.336,60 8.863,61 8.974,62 0.25,63 1.606,64 28.324,65 10.612,66 22.18,67 15.514,68 0.374,69 2.067,70 39.919,71 15.02,72 34.267,73 21.853,74 0.374,75 2.104,76 43.47,77 15.935,78 37.447,79 23.218,80 0.397,81 1.913,82 40.17,83 14.403,84 52.061,85 20.658,86 0.338,87 1.887,88 37.838,89 14.401,90 42.099,91 20.798,92 0.314,93 1.953,94 40.127,95 15.331,96 34.761,97 22.317,98 0.28,99 1.767,100 37.343,101 14.054,102 37.317,103 20.514,104 2,105 49,106 0.209,107 0.484,108 0.653,109 0.789,110 0.849,111 0.859,112 3.502,113 1.002,114 -5.01,115 -4.91,116 -4.6,119 43.1,121 4,125 5,127 2,138 12,139 4,151 1,163 18,166 6,169 1,171 2,172 21,175 1,176 5,179 1,181 1,183 15,187 7,190 1,192 1,194 10,198 6,203 1,205 12,208 1,209 4,214 3,217 10,220 1,221 4,226 4,227 8,231 4,236 4,238 8,242 6,247 3,249 7,252 1914,253 22.239,254 22.239,255 22.239,256 22.239,257 22.239,258 20.092,259 26.339,260 13.398,261 22.477,262 17.842,263 17.842,264 17.842,265 17.842,266 17.842,267 14.689,268 40.605,269 6.441,270 18.23,271 4.705,272 2.973,273 1.914,274 1.056,275 0.677,276 0.615,277 4.216,283 1,284 1040,285 3.162,287 95.063,288 403.548,292 150.776,295 2.406,296 19.378,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 66.5,308 465,309 4.409,310 3.788,311 6.474,312 4.01,313 3.042,314 4.336,315 1.959,316 10.051,317 2.955,318 4.117,319 3.059,320 6.181,321 3.898,322 2.903,323 3.457,324 0.922,325 9.217,326 2.877,327 3.94,328 3.014,329 5.626,330 3.676,331 2.719,332 3.261,333 0.916,334 7.809,335 2.61,336 3.679,337 2.837,338 5.445,339 3.465,340 2.486,341 3.032,342 0.241,343 7.228,344 2.43,345 3.558,346 2.569,347 5.279,348 3.274,349 2.281,350 2.619,351 0.172,352 6.72,353 2.263,354 3.254,355 2.35,356 5,357 3.043,358 2.092,359 2.427,360 0.111,361 5.953,362 1.981,363 3.118,364 2.237,365 4.783,366 2.769,367 1.78,368 2.322,370 5.061,371 1.747,372 3.008,373 1.618,374 4.411,375 2.618,376 1.618,377 2.114,379 4.356,380 1.618,381 2.887,382 1.519,383 3.793,384 2.415,385 1.419,386 2.042,388 3.056,389 1.414,390 2.798,391 1.462,392 3.612,393 2.404,394 1.407,395 1.859,397 3.023,398 1.401,399 2.5,400 1.34,401 3.588,402 2.134,403 1.157,404 1.5,406 2.771,407 1.127,408 2.253,409 1.162,410 3.414,411 2,412 1,413 1.218,415 2.275,416 1,417 2.13,418 1.077,419 3.4,420 1.984,421 1,422 1.002,424 2.136,425 0.983,426 2,427 1,428 3.247,429 1.769,430 0.786,431 1,433 1.997,434 0.767,435 1.886,436 0.723,437 3.175,438 1.69,439 0.692,440 0.823,442 1.602,443 0.69,444 15.533,445 0.485,446 0.602,447 0.019,448 37.75,449 1.18,450 17.5,451 0.547,452 20.25,453 0.633,454 30.42,455 0.951,456 34.267,457 0.527,458 26.513,459 0.829,460 7.201,461 0.225,462 8.542,463 0.267,464 0.021,466 0.277,472 0.784,473 1.299,474 0.901,475 1.089,476 0.563,477 1.015,478 1.058,479 1.146,480 1.07,481 1.038,482 0.592,483 1.04,484 1.073,485 1.082,486 1.111,487 1.078,488 0.942,489 1.09,490 1.216,491 0.976,492 0.985,493 0.963,494 1.263,495 0.955,496 1.826,497 0.918,498 1.068,499 0.887,500 2.175,501 0.921,502 1.161,503 1.087,504 1.091,505 1.077,506 1.234,507 1.08,508 0.945,509 0.996,510 1.005,511 1.018,512 0.88,513 1.016,514 1.029,515 0.98,516 0.927,517 0.951,518 1.063,519 0.936,520 5.5,521 0.182,522 2.667,523 1.5,524 1.574,525 0.636,526 0.553,527 0.413,528 0.281,529 0.153,530 17291,531 33894,532 2.194,533 50.8,535 24,538 1,540 4,541 4,542 1.74,543 2.133,544 3.804,545 -0.465,550 85.628,551 1.317,552 3.05,553 4.108,554 4.967,555 5.345,556 5.407,557 3.254,558 4.625,559 4.969,560 3.986,561 1976.99,562 8.665,563 30334.5,568 391.454,569 1.043,570 4.964,571 0.153,572 0.007,573 0.054,574 0.032,575 0.037,576 0.016,577 0.014,578 0.011,579 0.009,580 0.005,581 0.338,582 0.33,583 0.88,584 0.313,585 171.746,586 0.028,587 -0.116,588 0.072,589 -0.011,590 0.018,591 0.025,592 -0.006,593 0.002,594 -0.072,595 -0.035,596 0.032,597 -0.053,598 0.011,599 -0.039,600 -0.116,601 -0.099,602 -0.025,603 -0.115,604 0.002,605 -0.001,606 0.02,607 -0.008,608 -0.036,609 0.006,610 -0.188,611 0.06,612 -0.039,613 0.068,614 -0.208,615 0.031,616 -0.008,617 -0.09,618 -0.096,619 -0.095,620 -0.025,621 -0.103,622 0.014,623 -0.034,624 -0.022,625 -0.049,626 0.018,627 -0.04,628 0.013,629 -0.046,630 0.063,631 0.01,632 0.033,633 0.035,634 1.44,635 6.133,636 0.844,637 39.477,638 0.983,639 1.122,640 3.776,641 14.261,642 0.66,643 3.611,644 3.912,645 4.174,646 4.431,647 4.625,648 4.625,649 4.762,650 4.92,651 5.037,652 5.05,653 8.325,654 0.61,655 427.64,656 3.611,657 5.142,658 5.984,659 6.847,660 7.7,661 8.566,662 9.424,663 10.291,664 11.152,665 12.02,666 4.6,669 2,673 1,680 2,681 12,686 2,688 17,703 65,705 18,706 3,707 36,709 69,710 28,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 11,733 1,737 1,741 1,747 33,748 4,749 1,750 4,755 3,760 0.8,761 1,773 1,775 1,776 4,780 1,783 1,792 2,796 4,805 32,810 9,811 1,814 2,815 2,825 1.5,828 1,832 15,833 11.233,834 7,835 4.206,836 3.044,837 1.371,838 1.003,839 6.637,840 11.259,841 3.839,842 4.369,843 4.883,844 5.41,845 5.922,846 6.039,847 6.377,848 6.743,849 7.063,850 6.87,851 0.9,852 47,853 11.937,854 5.111,855 7.438,856 23.863,857 20.535,859 1.938,860 62,864 376.675,865 150.603,866 24.259,868 25.145,871 150.603,872 401.82,873 24.259,875 38.677,876 113.715,877 29.85,878 17.766,880 376.675,882 376.675,883 174.863,884 25.145,887 282.506,888 119.314,891 44.926,892 129.937,895 376.675,896 49.404,897 150.603,900 376.675,901 36.888,902 119.964,903 18.011,904 25.145,905 376.675,906 49.404,907 150.603,909 0.574,910 0.333,911 0.184,912 0.097,913 24,914 9,915 0.087,916 6,917 1,918 1.074,919 4.577,920 287.112,921 0.074,922 27,923 149.245,928 21.333,929 9.955,930 5.291,931 2.54,932 49.404,933 25.809,938 2.655,940 18.011,941 576.683,942 45.5,946 13.133,950 0.227,952 63.887,953 72.932,954 0.219,955 0.506,956 0.682,957 0.825,958 0.888,959 0.898,960 5.07,961 1.618,962 5.938,963 5.061,964 4.595,965 5.056,966 2.361,967 6.698,968 4.553,969 6.223,970 1.419,971 7.456,972 4.356,973 4.007,974 4.649,975 1.738,976 7.455,977 3.932,978 7.493,979 1.407,980 9.072,981 3.056,982 6.138,983 7.14,984 3.124,985 10.547,986 6.047,987 8.792,988 1.157,989 10.747,990 3.023,991 6.399,992 7.6,993 3.163,994 12.158,995 6.273,996 10.125,997 1,998 12.462,999 2.771,1000 7.943,1001 9.553,1002 4.24,1003 14.728,1004 7.804,1005 11.481,1006 1,1007 14.203,1008 2.275,1009 8.613,1010 10.467,1011 4.581,1012 16.703,1013 8.441,1014 12.854,1015 0.786,1016 15.964,1017 2.136,1018 9.901,1019 12.172,1020 5.487,1021 19.089,1022 9.713,1023 3.042,1024 0.692,1025 17.741,1026 1.997,1027 10.777,1028 13.341,1029 5.978,1030 21.23,1031 10.56,1032 2.903,1033 10.051,1034 19.53,1035 1.602,1036 11.948,1037 14.921,1038 6.784,1039 23.548,1040 11.713,1041 2.719,1042 9.217,1043 21.328,1044 4.336,1045 12.928,1046 16.23,1047 7.355,1048 25.766,1049 12.667,1050 2.486,1051 7.809,1052 23.135,1053 3.457,1054 14.048,1055 17.748,1056 8.103,1057 28.061,1058 13.766,1059 2.281,1060 7.228,1061 24.949,1062 3.261,1063 15.081,1064 19.132,1065 8.719,1066 30.315,1067 14.774,1068 2.092,1069 6.72,1070 26.768,1071 3.032,1072 16.18,1073 20.621,1074 9.434,1075 32.605,1076 15.851,1077 1.78,1078 5.953,1079 28.593,1080 2.619,1081 17.24,1082 22.045,1083 10.075,1084 34.878,1085 16.887,1086 15764,1087 22167,1088 25.137,1089 42.893,1090 53.367,1091 54.072,1092 53.74,1093 53.206,1094 53.18,1095 66.482,1096 8.646,1097 147.536,1098 52.13,1099 5.409,1100 5.788,1101 6.276,1102 5.052,1103 5.042,1104 7.336,1105 3.431,1106 16.846,1107 4.955,1108 7.21,1109 1.482,1110 1.502,1111 1.493,1112 1.478,1113 1.477,1114 1.847,1115 0.24,1116 4.098,1117 1.448,1118 4.098,1119 4.125,1120 4.045,1121 4.053,1122 7.428,1123 4.048,1124 3.959,1125 4.007,1126 3.874,1127 3.868,1128 4.902,1129 3.862,1130 3.879,1131 3.927,1132 3.793,1133 3.741,1134 4.755,1135 3.746,1136 3.782,1137 3.841,1138 3.662,1139 3.644,1140 4.395,1141 3.64,1142 3.502,1143 3.546,1144 3.404,1145 3.424,1146 4.338,1147 3.413,1148 3.361,1149 3.43,1150 3.251,1151 3.127,1152 4.211,1153 3.145,1154 3.142,1155 3.206,1156 3.001,1157 2.993,1158 3.917,1159 2.98,1160 3.111,1161 3.199,1162 2.962,1163 2.963,1164 3.858,1165 2.966,1166 0.122,1167 0.105,1168 0.18,1169 0.111,1170 0.085,1171 4.409,1172 0.12,1173 3.788,1174 0.054,1175 6.474,1176 0.279,1177 4.01,1178 0.082,1179 3.042,1180 4.336,1181 1.959,1182 10.051,1183 2.955,1184 2.077,1185 2.058,1186 2.165,1187 2.133,1188 1.414,1189 2.145,1190 1.928,1191 1.892,1192 2.078,1193 2.063,1194 1.318,1195 2.072,1196 1.808,1197 1.753,1198 1.99,1199 1.952,1200 1.216,1201 1.966,1202 1.633,1203 1.584,1204 1.856,1205 1.822,1206 1.136,1207 1.819,1208 1.592,1209 1.532,1210 1.797,1211 1.765,1212 1.066,1213 1.796,1214 1.418,1215 1.364,1216 1.611,1217 1.585,1218 0.825,1219 1.599,1220 1.238,1221 1.164,1222 1.513,1223 1.465,1224 0.772,1225 1.481,1226 1.153,1227 1.064,1228 1.496,1229 1.376,1230 0.724,1231 1.429,1232 4.29,1233 5.595,1234 2.398,1235 7.091,1236 4.595,1237 8.671,1238 6.581,1239 10.292,1247 9.082,1248 3.383,1251 0.307,1252 4.865,1257 39.681,1258 85.628,1259 198.221,1260 267.05,1261 322.825,1262 347.454,1263 351.454,1264 48.815,1265 8.214,1266 35.58,1267 35.58,1268 29,1269 12.566,1270 4.248,1271 3.392,1272 46.009,1273 159,1274 162,1275 0.136,1276 240.422,1277 416.49,1278 578.389,1279 53574,1281 21.753,1282 0.68,1283 0.586,1284 21.753,1285 18.75,1286 15.742,1287 0.437,1288 0.334,1289 11.935,1290 15.413,1291 11.68,1292 9.634,1293 15.742,1294 12.029,1295 13.914,1296 0.284,1297 0.191,1298 13.914,1299 9.355,1300 11.796,1301 0.184,1302 0.11,1303 11.796,1304 7.049,1305 10.018,1306 0.121,1307 0.063,1308 10.018,1309 5.258,1310 8.01,1311 0.079,1312 0.036,1313 8.01,1314 3.684,1315 0.221,1316 96.627,1317 0.199,1318 30.657,1319 0.354,1320 170,1321 365.359,1322 178.764,1323 363.856,1324 506.9,1325 344,1326 198,1327 373.186,1328 207.903,1329 384.055,1330 560.13,1331 363,1332 4.602}
{0 CHEMBL394714,1 1.52,2 14.4,3 4.043,4 16.346,5 139.982,6 7.231,7 0.436,8 4.302,9 4.415,10 3.977,11 3.896,12 5.254,13 3.834,14 4.907,15 5.084,16 4.311,17 4.327,18 5.975,19 4.244,20 5.22,21 5.43,22 4.423,23 4.528,24 6.17,25 4.4,26 5.355,27 5.58,28 4.407,29 4.507,30 6.396,31 4.39,32 5.327,33 5.558,34 4.344,35 4.471,36 6.478,37 4.346,38 5.289,39 5.529,40 4.268,41 4.481,42 6.225,43 4.328,44 5.318,45 5.574,46 4.16,47 4.434,48 6.245,49 4.274,50 5.203,51 5.46,52 4.02,53 4.31,54 6.124,55 4.156,56 0.089,57 0.999,58 18.016,59 6.98,60 15.222,61 9.029,62 0.453,63 1.72,64 31.191,65 11.612,66 54.239,67 15.618,68 0.372,69 2.236,70 48.312,71 17.525,72 51.891,73 22.451,74 0.645,75 2.36,76 57.191,77 18.623,78 101.152,79 23.663,80 0.918,81 2.251,82 52.25,83 17.534,84 161.678,85 22.904,86 0.461,87 2.26,88 52.761,89 18.523,90 78.212,91 24.128,92 0.574,93 2.228,94 54.174,95 18.612,96 92.933,97 24.349,98 0.492,99 1.976,100 47.593,101 16.194,102 82.526,103 21.702,104 17,105 56,106 0.238,107 0.504,108 0.687,109 0.813,110 0.841,111 0.85,112 3.588,113 1.07,114 -4.38,115 -4.31,116 -4.07,119 41.2,121 4,124 1,125 4,127 2,138 12,139 3,140 1,151 1,163 16,165 4,166 7,172 19,175 2,176 10,183 13,186 1,187 16,194 6,197 4,198 9,205 11,208 1,209 11,217 10,220 1,221 14,227 6,231 8,238 8,241 2,242 8,249 7,252 2364,253 23.686,254 23.686,255 23.686,256 23.686,257 23.686,258 21.323,259 25.586,260 13.849,261 24.077,262 19.226,263 19.226,264 19.226,265 19.226,266 19.226,267 15.609,268 36.576,269 6.552,270 19.857,271 4.567,272 2.868,273 1.701,274 0.899,275 0.717,276 0.658,277 4.292,283 1,284 1115,285 4.123,287 106.073,288 448.202,292 167.398,295 2.32,296 41.025,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 74.5,308 504,309 4.959,310 4.734,311 7.736,312 4.498,313 3.569,314 4.791,315 1.985,316 13.987,317 3.302,318 4.356,319 3.86,320 6.603,321 3.992,322 3.029,323 4.25,324 0.916,325 10.239,326 2.919,327 4.154,328 3.035,329 6.182,330 3.841,331 2.85,332 3.457,333 0.624,334 9.146,335 2.808,336 3.937,337 2.886,338 5.982,339 3.645,340 2.682,341 3.32,342 0.375,343 8.229,344 2.589,345 3.626,346 2.785,347 5.579,348 3.46,349 2.488,350 2.712,351 0.172,352 7.631,353 2.412,354 3.355,355 2.566,356 5.282,357 3.139,358 2.194,359 2.558,361 6.178,362 2.06,363 3.197,364 2.345,365 5.019,366 2.81,367 1.823,368 2.427,370 5.583,371 1.788,372 3.118,373 1.699,374 4.591,375 2.618,376 1.618,377 2.321,379 4.489,380 1.618,381 2.932,382 1.618,383 4.407,384 2.601,385 1.604,386 2.048,388 4.183,389 1.595,390 2.836,391 1.54,392 3.953,393 2.41,394 1.416,395 1.969,397 3.055,398 1.406,399 2.779,400 1.396,401 3.615,402 2.335,403 1.338,404 1.798,406 2.972,407 1.333,408 2.5,409 1.276,410 3.59,411 2,412 1.019,413 1.5,415 2.612,416 1,417 2.16,418 1.203,419 3.472,420 1.984,421 1,422 1.026,424 2.275,425 0.983,426 2.029,427 1.077,428 3.414,429 1.981,430 1,431 1.002,433 2.136,434 0.978,435 2,436 1,437 3.247,438 1.792,439 0.826,440 1,442 2.101,443 0.794,444 17.033,445 0.487,446 0.913,447 0.026,448 42.75,449 1.221,450 20.5,451 0.586,452 22.25,453 0.636,454 34.799,455 0.994,456 38.167,457 0.561,458 35.039,459 1.001,460 7.986,461 0.228,462 8.944,463 0.256,464 0.088,465 0.049,466 0.276,472 0.509,473 1.413,474 0.847,475 1.238,476 0.574,477 1.029,478 0.731,479 1.054,480 0.892,481 0.91,482 0.522,483 0.95,484 0.906,485 1.122,486 1.171,487 1.172,488 0.764,489 1.062,490 1.579,491 1.055,492 1.172,493 1.084,494 1.695,495 0.997,496 1.462,497 0.915,498 1.005,499 0.86,500 1.546,501 0.932,502 1.021,503 1.076,504 1.165,505 1.13,506 0.933,507 1.048,508 1.268,509 0.944,510 1.107,511 0.996,512 1.293,513 0.977,514 1.233,515 0.993,516 1.048,517 0.991,518 1.287,519 0.977,520 7,521 0.228,522 4.889,523 2.681,524 2.494,525 1.347,526 0.881,527 0.688,528 0.401,529 0.298,530 19800,531 45039,532 2.116,533 48.5,535 25,540 4,541 4,542 1.765,543 1.991,544 3.783,545 -0.794,550 103.367,551 1.52,552 3.219,553 4.387,554 5.189,555 5.37,556 5.429,557 3.269,558 4.708,559 5.096,560 3.951,561 2350.94,562 8.939,563 36848.1,568 413.947,569 1.482,570 5.06,571 0.179,572 0.007,573 0.087,574 0.045,575 0.045,576 0.025,577 0.018,578 0.015,579 0.01,580 0.008,581 0.441,582 0.17,583 0.75,584 0.504,585 190.371,586 0.127,587 -0.211,588 0.207,589 -0.084,590 -0.077,591 0.009,592 0.197,593 0.1,594 0.055,595 0.073,596 0.173,597 0.015,598 0.016,599 -0.042,600 -0.038,601 -0.085,602 0.045,603 -0.065,604 -0.124,605 -0.055,606 -0.055,607 -0.067,608 -0.143,609 -0.042,610 0.029,611 0.062,612 -0.007,613 0.078,614 0.052,615 0.006,616 -0.026,617 -0.069,618 -0.069,619 -0.088,620 0.028,621 -0.058,622 -0.104,623 0.011,624 -0.061,625 -0.007,626 -0.078,627 -0.003,628 -0.103,629 -0.051,630 -0.051,631 -0.027,632 -0.098,633 -0.003,634 4.671,635 6.557,636 0.771,637 43.623,638 0.994,639 1.122,640 3.15,641 9.925,642 0.668,643 3.689,644 4.043,645 4.344,646 4.585,647 4.796,648 4.844,649 4.963,650 5.075,651 5.182,652 5.22,653 8.132,654 0.622,655 491.71,656 3.689,657 5.252,658 6.12,659 7.011,660 7.895,661 8.791,662 9.683,663 10.582,664 11.478,665 12.381,666 4.4,669 2,673 1,680 2,681 12,686 2,688 17,703 68,705 20,706 3,707 39,709 72,710 28,711 16,712 4,713 12,717 5,718 6,724 6,727 6,729 17,730 11,733 3,736 1,737 3,741 1,747 33,748 6,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,805 35,808 1,810 8,814 2,815 3,825 4.4,828 3,832 17.583,833 12.183,834 7.556,835 4.282,836 2.991,837 1.36,838 0.997,839 7.039,840 11.298,841 3.942,842 4.533,843 5.056,844 5.552,845 6.084,846 6.298,847 6.674,848 6.968,849 7.298,850 7.197,851 0.9,852 59,853 13.4,854 6.145,855 7.698,856 25.629,857 22.285,859 2.198,860 76.917,864 388.446,865 161.067,866 7.767,868 69.458,870 5.807,871 155.259,872 457.904,873 7.767,874 8.396,875 21.685,876 119.522,877 74.163,878 14.525,880 388.446,882 388.446,883 163.026,884 69.458,885 5.807,887 294.278,888 163.627,891 26.328,892 136.698,893 5.807,895 388.446,896 77.225,897 161.067,899 5.807,900 388.446,901 33.148,902 129.879,904 69.458,905 388.446,906 77.225,907 161.067,909 0.59,910 0.355,911 0.187,912 0.098,913 28,914 12,915 0.083,916 6,917 1,918 1.074,919 4.568,920 339.427,921 0.074,922 27,923 169.525,927 1,928 24.15,929 10.202,930 5.053,931 1.883,932 77.225,933 23.385,938 1.559,941 626.738,942 50.5,945 -3.754,946 40.638,950 -0.076,952 67.618,953 76.271,954 0.25,955 0.529,956 0.721,957 0.852,958 0.882,959 0.892,960 5.205,961 1.618,962 6.133,963 5.583,964 4.727,965 5.22,966 2.308,967 7.006,968 4.661,969 6.416,970 1.604,971 7.739,972 4.489,973 4.443,974 5.207,975 1.738,976 8.22,977 4.286,978 7.752,979 1.416,980 9.465,981 4.183,982 6.412,983 7.474,984 3.129,985 11.334,986 6.247,987 9.133,988 1.338,989 11.267,990 3.055,991 6.995,992 8.342,993 3.224,994 13.441,995 6.722,996 10.557,997 1.019,998 13.122,999 2.972,1000 8.456,1001 10.136,1002 4.298,1003 16.175,1004 8.162,1005 12.012,1006 1,1007 15.016,1008 2.612,1009 9.412,1010 11.385,1011 4.681,1012 18.612,1013 9.01,1014 13.492,1015 1,1016 16.938,1017 2.275,1018 10.706,1019 13.017,1020 5.581,1021 21.261,1022 10.259,1023 3.569,1024 0.826,1025 18.883,1026 2.136,1027 11.825,1028 14.432,1029 6.105,1030 23.821,1031 11.277,1032 3.029,1033 13.987,1034 20.847,1035 2.101,1036 13.07,1037 16.006,1038 6.909,1039 26.454,1040 12.459,1041 2.85,1042 10.239,1043 22.825,1044 4.791,1045 14.261,1046 17.494,1047 7.507,1048 29.06,1049 13.553,1050 2.682,1051 9.146,1052 24.816,1053 4.25,1054 15.501,1055 19.05,1056 8.258,1057 31.692,1058 14.717,1059 2.488,1060 8.229,1061 26.816,1062 3.457,1063 16.726,1064 20.572,1065 8.895,1066 34.317,1067 15.849,1068 2.194,1069 7.631,1070 28.824,1071 3.32,1072 17.97,1073 22.123,1074 9.617,1075 36.951,1076 17.011,1077 1.823,1078 6.178,1079 30.839,1080 2.712,1081 19.213,1082 23.661,1083 10.276,1084 39.583,1085 18.164,1086 18303,1087 27834,1088 26.235,1089 45.449,1090 59.196,1091 60.815,1092 60.338,1093 59.187,1094 59.069,1095 75.097,1096 8.148,1097 174.743,1098 57.327,1099 5.959,1100 6.734,1101 7.538,1102 5.572,1103 5.569,1104 7.791,1105 3.458,1106 22.436,1107 5.302,1108 15.059,1109 1.518,1110 1.559,1111 1.547,1112 1.518,1113 1.515,1114 1.926,1115 0.209,1116 4.481,1117 1.47,1118 4.168,1119 4.167,1120 4.746,1121 4.147,1122 7.715,1123 4.096,1124 3.967,1125 4.013,1126 3.969,1127 3.872,1128 7.427,1129 3.866,1130 3.927,1131 3.953,1132 3.876,1133 3.856,1134 6.999,1135 3.814,1136 3.815,1137 3.858,1138 3.758,1139 3.695,1140 4.886,1141 3.681,1142 3.645,1143 3.648,1144 3.605,1145 3.549,1146 4.755,1147 3.515,1148 3.435,1149 3.512,1150 3.309,1151 3.21,1152 4.353,1153 3.221,1154 3.281,1155 3.297,1156 3.242,1157 3.181,1158 4.28,1159 3.144,1160 3.151,1161 3.223,1162 3.001,1163 2.99,1164 4.201,1165 2.982,1166 0.127,1167 0.121,1168 0.198,1169 0.115,1170 0.092,1171 4.959,1172 0.123,1173 4.734,1174 0.051,1175 7.736,1176 0.359,1177 4.498,1178 0.085,1179 3.569,1180 4.791,1181 1.985,1182 13.987,1183 3.302,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.425,1189 2.162,1190 1.929,1191 1.893,1192 2.08,1193 2.068,1194 1.324,1195 2.075,1196 1.821,1197 1.777,1198 1.995,1199 1.961,1200 1.218,1201 1.974,1202 1.715,1203 1.725,1204 1.857,1205 1.85,1206 1.14,1207 1.88,1208 1.605,1209 1.551,1210 1.715,1211 1.777,1212 1.067,1213 1.807,1214 1.436,1215 1.377,1216 1.636,1217 1.635,1218 0.825,1219 1.655,1220 1.304,1221 1.241,1222 1.557,1223 1.511,1224 0.794,1225 1.534,1226 1.153,1227 1.103,1228 1.513,1229 1.376,1230 0.735,1231 1.429,1232 4.369,1233 5.714,1234 2.398,1235 7.261,1236 4.595,1237 8.894,1238 6.629,1239 10.572,1241 1.846,1247 6.246,1251 -0.487,1252 5.676,1257 42.298,1258 103.367,1259 218.915,1260 298.299,1261 352.828,1262 365.193,1263 369.193,1264 80.58,1265 8.307,1266 60.93,1267 69.31,1268 29,1269 12.903,1270 4.392,1271 3.644,1272 52.397,1273 168,1274 191,1275 0.148,1276 259.545,1277 452.58,1278 625.05,1279 57228,1281 24.416,1282 0.698,1283 0.601,1284 24.666,1285 21.031,1286 16.931,1287 0.434,1288 0.357,1289 12.466,1290 15.695,1291 12.05,1292 9.935,1293 17.719,1294 13.909,1295 15.576,1296 0.278,1297 0.207,1298 16.876,1299 11.615,1300 13.648,1301 0.18,1302 0.124,1303 14.962,1304 9.422,1305 11.057,1306 0.114,1307 0.074,1308 12.294,1309 7.146,1310 8.797,1311 0.073,1312 0.043,1313 10.011,1314 5.172,1315 0.236,1316 112.798,1317 0.195,1318 32.509,1319 0.396,1320 190,1321 487.002,1322 243.653,1323 494.104,1324 675.58,1325 458,1326 227,1327 467.952,1328 291.582,1329 514.02,1330 755.27,1331 483,1332 5.886}
{0 CHEMBL394859,1 1.689,2 12.97,3 3.767,4 14.188,5 130.074,6 8.387,7 0.459,8 4.178,9 4.305,10 3.851,11 3.718,12 5.226,13 3.701,14 4.755,15 4.941,16 4.254,17 4.143,18 5.784,19 4.098,20 5.038,21 5.263,22 4.336,23 4.283,24 6.029,25 4.201,26 5.039,27 5.268,28 4.339,29 4.196,30 6.128,31 4.121,32 4.96,33 5.193,34 4.099,35 4.146,36 5.95,37 4.069,38 4.967,39 5.207,40 4.131,41 4.201,42 5.863,43 4.101,44 4.999,45 5.254,46 4.146,47 4.217,48 5.921,49 4.097,50 4.934,51 5.193,52 4.197,53 4.128,54 5.9,55 4.021,56 0.065,57 0.922,58 10.285,59 4.738,60 6.296,61 6.302,62 0.396,63 1.503,64 22.637,65 8.28,66 26.296,67 11.285,68 0.519,69 1.761,70 37.884,71 11.852,72 43.901,73 16.296,74 0.807,75 1.694,76 44.51,77 11.182,78 81.061,79 14.849,80 0.683,81 1.643,82 33.862,83 9.828,84 65.951,85 13.44,86 0.531,87 1.678,88 34.36,89 10.513,90 39.71,91 15.01,92 0.521,93 1.657,94 36.301,95 12.123,96 50.511,97 17.249,98 0.552,99 1.493,100 37.368,101 11.172,102 46.533,103 16.016,104 10,105 52,106 0.274,107 0.607,108 0.77,109 0.85,110 0.873,111 0.873,112 3.532,113 0.966,114 -5.25,115 -5.14,116 -4.81,119 39.7,121 2,125 6,127 1,138 5,139 2,140 2,141 1,143 1,145 1,146 1,151 1,163 5,165 5,166 4,169 1,171 4,172 8,175 1,176 5,179 2,181 2,183 3,186 2,187 6,190 3,192 4,194 4,197 3,198 2,205 2,209 8,212 1,214 1,217 5,220 3,221 5,224 1,227 4,231 13,234 2,238 4,241 1,242 5,245 1,249 1,252 2029,253 22.585,254 22.585,255 22.585,256 22.585,257 22.585,258 20.416,259 29.674,260 13.263,261 23.325,262 18.259,263 18.259,264 18.259,265 18.259,266 18.259,267 14.906,268 43.148,269 6.297,270 19.559,271 4.169,272 2.12,273 1.118,274 0.621,275 0.483,276 0.483,277 4.24,279 2,283 1,284 944,285 3.162,287 95.65,288 381.28,292 154.18,295 2.092,296 33.198,299 1,300 0.83,301 1,302 0.8,303 0.5,304 1,305 1,306 0.88,307 71.167,308 428,309 4.548,310 3.838,311 6.567,312 4.068,313 3.124,314 4.478,315 1.985,316 10.461,317 2.957,318 4.228,319 3.281,320 6.394,321 3.945,322 2.975,323 3.879,324 0.8,325 9.681,326 2.88,327 4.122,328 3.214,329 6.073,330 3.783,331 2.85,332 3.297,333 0.657,334 8.786,335 2.628,336 3.878,337 2.919,338 6.054,339 3.602,340 2.669,341 3.207,342 0.624,343 8.693,344 2.478,345 3.529,346 2.748,347 5.248,348 3.149,349 2.213,350 2.9,351 0.375,352 6.399,353 2.068,354 3.432,355 2.497,356 5.227,357 3.079,358 2.178,359 2.76,361 6.344,362 1.952,363 3.266,364 2.285,365 4.956,366 2.942,367 2.049,368 2.312,370 5.793,371 1.758,372 2.972,373 2.188,374 4.496,375 2.587,376 1.628,377 2.134,379 4.441,380 1.557,381 2.853,382 1.97,383 4.185,384 2.381,385 1.484,386 1.984,388 3.794,389 1.36,390 2.767,391 1.637,392 3.915,393 2.372,394 1.39,395 1.813,397 3.144,398 1.251,399 2.526,400 1.343,401 3.772,402 2.176,403 1.224,404 1.513,406 2.899,407 1.16,408 2.313,409 1.219,410 3.604,411 2.008,412 1.072,413 1.267,415 2.705,416 0.997,417 2,418 1.209,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 1.933,427 1.146,428 3.215,429 1.606,430 0.667,431 0.82,433 1.582,434 0.604,435 1.833,436 0.88,437 3.098,438 1.568,439 0.618,440 0.647,442 1.372,443 0.585,444 16.062,445 0.487,446 0.763,447 0.023,448 41.75,449 1.265,450 18.5,451 0.561,452 23.25,453 0.705,454 30.903,455 0.936,456 35.538,457 0.613,458 31.325,459 0.949,460 7.929,461 0.24,462 8.152,463 0.247,464 0.11,466 0.33,472 0.753,473 1.548,474 0.58,475 1.008,476 0.548,477 0.916,478 0.793,479 1.066,480 0.687,481 0.852,482 0.563,483 0.893,484 0.971,485 1.146,486 0.864,487 0.978,488 0.89,489 0.964,490 1.35,491 1.003,492 0.948,493 0.933,494 1.722,495 0.957,496 1.345,497 0.969,498 0.869,499 0.819,500 1.582,501 0.935,502 0.839,503 1.029,504 0.832,505 0.967,506 0.543,507 1.023,508 0.617,509 0.962,510 0.698,511 0.888,512 0.465,513 0.937,514 0.597,515 0.944,516 0.688,517 0.884,518 0.513,519 0.85,520 6,521 0.216,522 4.222,523 1.965,524 1.742,525 1,526 0.576,527 0.529,528 0.424,529 0.33,530 16650,531 47299,532 2.15,533 43.1,535 18,537 1,538 2,540 4,542 1.753,543 2.041,544 3.645,545 0.252,550 97.973,551 1.689,552 3.738,553 4.74,554 5.237,555 5.375,556 5.375,557 3.11,558 4.741,559 5.013,560 3.833,561 2024.06,562 8.787,563 30517.1,568 339.763,569 1.301,570 4.989,571 0.162,572 0.007,573 0.081,574 0.037,575 0.036,576 0.023,577 0.013,578 0.012,579 0.01,580 0.008,581 0.389,582 0.17,583 0.75,584 0.467,585 175.805,586 -0.063,587 -0.302,588 0.024,589 -0.077,590 -0.005,591 -0.011,592 0.051,593 0.103,594 0.019,595 0.049,596 0.068,597 0.009,598 -0.023,599 -0.125,600 0.015,601 -0.028,602 0.021,603 -0.005,604 -0.074,605 -0.001,606 0.006,607 -0.008,608 -0.16,609 -0.034,610 -0.227,611 0.075,612 -0.117,613 0.066,614 -0.254,615 -0.026,616 -0.062,617 0.019,618 -0.061,619 -0.047,620 -0.003,621 -0.069,622 0.114,623 0.012,624 0.091,625 0.069,626 0.146,627 0.064,628 0.214,629 0.004,630 0.217,631 0.091,632 0.169,633 0.16,634 1.463,635 5.716,636 0.818,637 38.681,638 1.009,639 1.133,640 4.019,641 16.156,642 0.687,643 3.638,644 3.97,645 4.263,646 4.511,647 4.727,648 4.828,649 4.977,650 5.136,651 5.313,652 5.442,653 7.622,654 0.652,655 486.45,656 3.638,657 5.187,658 6.047,659 6.925,660 7.797,661 8.678,662 9.555,663 10.438,664 11.318,665 12.203,666 12.1,668 1,671 1,672 1,673 1,676 3,680 2,681 6,682 3,686 5,688 17,697 1,699 1,702 2,703 58,705 18,706 1,707 37,709 62,710 23,711 13,712 3,713 3,717 5,718 6,719 2,724 3,727 3,729 14,730 9,733 1,737 1,741 1,747 25,748 8,749 2,750 10,751 2,755 7,760 0.8,761 1,770 1,771 1,773 1,775 1,776 4,780 1,784 1,791 1,796 4,802 2,805 33,810 8,811 2,814 1,815 2,824 2,825 1.7,828 1,832 16.167,833 10.286,834 7.167,835 3.638,836 3.323,837 1.404,838 1.007,839 6.834,840 11.55,841 3.861,842 4.443,843 5.012,844 5.552,845 6.097,846 6.36,847 6.722,848 7.119,849 7.542,850 7.739,851 0.889,852 53,853 12.236,854 5.292,855 7.678,856 23.613,857 19.892,859 2.178,860 71.889,864 270.735,865 97.539,866 92.627,867 78.297,868 25.145,871 97.539,872 374.178,873 92.627,875 20.828,876 65.392,877 109.988,878 26.647,879 4.227,880 258.964,881 78.297,882 270.735,883 190.165,884 25.145,885 78.297,887 225.366,888 72.229,891 49.785,892 70.298,893 146.665,895 270.735,896 117.772,897 175.836,900 270.735,901 41.11,902 62.677,903 36.022,904 153.799,905 270.735,906 117.772,907 175.836,909 0.585,910 0.347,911 0.185,912 0.095,913 26,914 11,915 0.081,916 5,917 1,918 1.074,919 4.467,920 311.32,921 0.074,922 27,923 155.71,928 22.603,929 9.978,930 5.017,931 1.466,932 117.772,933 10.987,934 13.951,938 3.43,940 36.022,941 564.343,942 46.5,946 12.716,950 0.204,952 58.523,953 65.738,954 0.288,955 0.638,956 0.809,957 0.894,958 0.918,959 0.918,960 5.113,961 1.628,962 6.028,963 5.793,964 4.654,965 5.13,966 2.339,967 6.836,968 4.52,969 6.3,970 1.484,971 7.586,972 4.441,973 4.205,974 4.934,975 1.738,976 7.716,977 3.961,978 7.601,979 1.39,980 9.244,981 3.794,982 6.248,983 7.304,984 3.123,985 10.814,986 6,987 8.937,988 1.224,989 10.96,990 3.144,991 6.635,992 7.955,993 3.217,994 12.513,995 6.302,996 10.306,997 1.072,998 12.713,999 2.899,1000 8.119,1001 9.81,1002 4.294,1003 15.109,1004 7.767,1005 11.699,1006 1,1007 14.492,1008 2.705,1009 8.885,1010 10.867,1011 4.678,1012 17.143,1013 8.466,1014 13.108,1015 0.667,1016 16.287,1017 2.275,1018 10.145,1019 12.512,1020 5.58,1021 19.562,1022 9.695,1023 3.124,1024 0.618,1025 18.096,1026 1.582,1027 11.09,1028 13.778,1029 6.104,1030 21.743,1031 10.583,1032 2.975,1033 10.461,1034 19.914,1035 1.372,1036 12.256,1037 15.331,1038 6.909,1039 24.095,1040 11.711,1041 2.85,1042 9.681,1043 21.74,1044 4.478,1045 13.287,1046 16.706,1047 7.507,1048 26.346,1049 12.689,1050 2.669,1051 8.786,1052 23.571,1053 3.879,1054 14.415,1055 18.218,1056 8.258,1057 28.673,1058 13.776,1059 2.213,1060 8.693,1061 25.407,1062 3.297,1063 15.486,1064 19.649,1065 8.895,1066 30.958,1067 14.798,1068 2.178,1069 6.399,1070 27.247,1071 3.207,1072 16.601,1073 21.146,1074 9.617,1075 33.279,1076 15.869,1077 2.049,1078 6.344,1079 29.091,1080 2.9,1081 17.693,1082 22.607,1083 10.276,1084 35.582,1085 16.912,1086 15431,1087 26231,1088 25.255,1089 39.824,1090 55.568,1091 57.164,1092 56.489,1093 55.821,1094 55.439,1095 69.326,1096 8.885,1097 159.53,1098 51.536,1099 5.548,1100 5.838,1101 6.249,1102 5.146,1103 5.124,1104 7.478,1105 3.458,1106 17.412,1107 4.957,1108 13.595,1109 1.502,1110 1.545,1111 1.527,1112 1.509,1113 1.498,1114 1.874,1115 0.24,1116 4.312,1117 1.393,1118 4.068,1119 4.115,1120 4.105,1121 3.939,1122 7.427,1123 3.954,1124 3.907,1125 3.955,1126 4.014,1127 3.855,1128 5.122,1129 3.85,1130 3.897,1131 3.927,1132 3.807,1133 3.723,1134 5.01,1135 3.733,1136 3.735,1137 3.809,1138 3.612,1139 3.551,1140 4.631,1141 3.557,1142 3.425,1143 3.493,1144 3.598,1145 3.234,1146 4.573,1147 3.252,1148 3.285,1149 3.35,1150 3.355,1151 3.082,1152 4.374,1153 3.093,1154 3.133,1155 3.206,1156 3.231,1157 2.946,1158 4.282,1159 2.957,1160 3.111,1161 3.182,1162 3.07,1163 2.941,1164 4.157,1165 2.91,1166 0.123,1167 0.104,1168 0.177,1169 0.11,1170 0.084,1171 4.548,1172 0.121,1173 3.838,1174 0.054,1175 6.567,1176 0.283,1177 4.068,1178 0.08,1179 3.124,1180 4.478,1181 1.985,1182 10.461,1183 2.957,1184 1.974,1185 1.939,1186 2.041,1187 2.132,1188 1.292,1189 2.107,1190 1.887,1191 1.868,1192 1.965,1193 1.99,1194 1.205,1195 1.987,1196 1.769,1197 1.708,1198 1.939,1199 1.949,1200 1.164,1201 1.958,1202 1.583,1203 1.52,1204 1.846,1205 1.757,1206 1.057,1207 1.789,1208 1.459,1209 1.386,1210 1.679,1211 1.718,1212 0.932,1213 1.714,1214 1.348,1215 1.283,1216 1.532,1217 1.573,1218 0.825,1219 1.569,1220 1.174,1221 1.112,1222 1.513,1223 1.409,1224 0.662,1225 1.429,1226 1.153,1227 1.064,1228 1.351,1229 1.376,1230 0.45,1231 1.401,1232 4.317,1233 5.645,1234 2.398,1235 7.169,1236 4.443,1237 8.782,1238 6.293,1239 10.44,1242 12.357,1247 6.07,1248 6.686,1251 -0.034,1252 4.056,1257 37.788,1258 97.973,1259 216.792,1260 274.934,1261 303.763,1262 311.763,1263 311.763,1264 55.451,1265 8.228,1266 86.28,1267 86.28,1268 29,1269 12.736,1270 4.248,1271 3.392,1272 47.809,1273 149,1274 151,1275 0.153,1276 236.303,1277 404.41,1278 568.339,1279 47657,1280 3.4,1281 22.786,1282 0.69,1283 0.594,1284 23.786,1285 19.61,1286 16.081,1287 0.435,1288 0.322,1289 11.061,1290 14.899,1291 10.832,1292 8.849,1293 16.658,1294 11.916,1295 14.511,1296 0.279,1297 0.176,1298 15.29,1299 9.141,1300 12.672,1301 0.181,1302 0.096,1303 13.288,1304 6.74,1305 10.511,1306 0.117,1307 0.053,1308 11.207,1309 4.789,1310 8.154,1311 0.073,1312 0.027,1313 8.512,1314 3.004,1315 0.242,1316 106.74,1317 0.199,1318 30.843,1319 0.414,1320 178,1321 505.034,1322 225.629,1323 549.252,1324 737.55,1325 514,1326 211,1327 502.193,1328 250.92,1329 524.783,1330 775.99,1331 496,1332 7.097}
{0 CHEMBL395626,1 1.556,2 11.852,3 2.078,4 4.32,5 108.024,6 6.786,7 0.207,8 4.127,9 4.254,10 3.762,11 3.655,12 5.017,13 3.581,14 4.761,15 4.959,16 4.08,17 4.087,18 5.799,19 3.98,20 5.093,21 5.326,22 4.122,23 4.269,24 6.027,25 4.117,26 5.206,27 5.462,28 4.051,29 4.2,30 6.225,31 4.078,32 5.057,33 5.292,34 3.923,35 4.148,36 6.226,37 4.016,38 5.07,39 5.343,40 3.795,41 4.16,42 5.889,43 3.967,44 5.056,45 5.355,46 3.679,47 4.062,48 5.825,49 3.846,50 4.859,51 5.141,52 3.53,53 3.856,54 5.714,55 3.668,56 0.091,57 0.868,58 17.358,59 5.901,60 14.42,61 8.107,62 0.433,63 1.433,64 30.22,65 10.057,66 59.302,67 14.059,68 0.448,69 1.798,70 47.228,71 14.38,72 59.925,73 19.131,74 0.775,75 1.738,76 49.914,77 13.258,78 108.863,79 18.794,80 0.806,81 1.568,82 39.161,83 12.243,84 147.019,85 17.435,86 0.41,87 1.615,88 39.582,89 13.317,90 62.174,91 19.117,92 0.477,93 1.506,94 42.213,95 13.021,96 63.888,97 18.261,98 0.396,99 1.225,100 35.043,101 10.331,102 61.608,103 14.657,104 28,105 41,106 0.257,107 0.524,108 0.731,109 0.803,110 0.811,111 0.811,112 3.339,113 1.185,114 -2.81,115 -2.82,116 -2.74,119 34.5,120 2,121 4,125 4,127 3,138 5,139 1,151 1,163 7,165 3,166 5,169 1,171 2,172 8,175 1,176 9,179 1,181 1,183 3,187 9,190 1,192 1,194 2,197 2,198 3,201 2,205 10,208 1,209 2,214 3,217 6,220 1,221 5,226 2,227 2,231 2,236 2,238 4,241 2,242 3,247 1,249 1,252 1101,253 17.756,254 17.756,255 17.756,256 17.756,257 17.756,258 16.581,259 24.96,260 10.407,261 18.152,262 14.28,263 14.28,264 14.28,265 14.28,266 14.28,267 12.397,268 36.546,269 4.91,270 14.881,271 4.302,272 2.691,273 1.438,274 1.005,275 0.957,276 0.957,277 4.015,282 1,283 1,284 674,285 4.062,287 87.766,288 196.57,295 1.953,296 36.314,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 58.5,308 320,309 4.897,310 4.712,311 7.691,312 4.466,313 3.537,314 4.632,315 1.956,316 13.694,317 3.27,318 3.991,319 3.752,320 6.297,321 3.784,322 2.817,323 3.457,324 0.916,325 9.16,326 2.711,327 3.935,328 3.02,329 5.622,330 3.648,331 2.685,332 3.149,333 0.465,334 7.787,335 2.589,336 3.565,337 2.699,338 5.402,339 3.415,340 2.435,341 2.602,342 0.172,343 7.019,344 2.378,345 3.197,346 2.547,347 5.094,348 3.033,349 2.091,350 2.249,351 0.132,352 5.944,353 1.96,354 2.948,355 2.241,356 4.912,357 2.729,358 1.742,359 2.011,361 4.852,362 1.703,363 2.793,364 1.537,365 4.125,366 2.409,367 1.416,368 1.837,370 3.165,371 1.405,372 2.504,373 1.519,374 3.597,375 2.342,376 1.349,377 1.5,379 3.031,380 1.334,381 2.5,382 1.2,383 3.533,384 2,385 1,386 1.46,388 2.275,389 1,390 2,391 1.077,392 3.414,393 1.984,394 1,395 1,397 2.136,398 0.983,399 1.929,400 1,401 3.37,402 1.785,403 0.802,404 0.861,406 2.028,407 0.783,408 1.875,409 0.88,410 3.247,411 1.723,412 0.754,413 0.805,415 1.93,416 0.728,417 1.368,418 0.647,419 2.879,420 1.184,421 0.206,422 0.226,424 0.506,425 0.2,426 1,427 0.225,428 2.596,429 0.693,430 -0.297,431 -0.342,433 -0.743,434 -0.292,435 0.962,436 -0.192,437 2.503,438 0.215,439 -0.785,440 -0.899,442 -1.851,443 -0.776,444 13.033,445 0.483,446 0.797,447 0.03,448 27.5,449 1.019,450 10.5,451 0.389,452 17,453 0.63,454 29.082,455 1.077,456 31.967,457 0.551,458 19.919,459 0.738,460 4.691,461 0.174,462 8.184,463 0.303,464 0.153,465 0.064,466 0.253,472 0.537,473 1.608,474 0.919,475 1.407,476 0.59,477 1.174,478 0.66,479 1.222,480 0.967,481 1.065,482 0.506,483 1.06,484 1.028,485 1.219,486 1.387,487 1.336,488 0.889,489 1.135,490 1.7,491 0.877,492 1.094,493 0.896,494 1.801,495 0.889,496 1.284,497 0.967,498 0.978,499 0.9,500 1.375,501 1.044,502 0.8,503 1.057,504 0.911,505 1.003,506 0.769,507 1.097,508 0.908,509 0.853,510 1.004,511 0.929,512 0.853,513 0.925,514 1.11,515 1.017,516 1.054,517 1.03,518 1.158,519 0.972,520 6.5,521 0.141,522 3.556,523 1.743,524 1.788,525 0.712,526 0.514,527 0.389,528 0.236,529 0.197,530 9160,531 21680,532 2.005,533 53.4,535 16,538 1,540 10,541 4,542 1.696,543 1.851,544 3.513,545 -0.309,546 1,547 1,550 90.234,551 1.556,552 3.167,553 4.42,554 4.853,555 4.901,556 4.901,557 2.94,558 4.236,559 4.726,560 3.704,561 1300.15,562 8.178,563 17199.3,565 1,567 1,568 339.763,569 1.623,570 4.663,571 0.224,572 0.008,573 0.087,574 0.043,575 0.047,576 0.02,577 0.018,578 0.016,579 0.011,580 0.01,581 0.483,582 0.33,583 1,584 0.979,585 135.776,586 0.111,587 -0.238,588 0.224,589 -0.093,590 -0.083,592 0.224,593 -0.013,594 0.065,595 0.019,596 0.187,597 -0.017,598 -0.035,599 -0.104,600 -0.141,601 -0.167,602 0.008,603 -0.112,604 -0.201,605 0.072,606 -0.061,607 0.024,608 -0.199,609 0.029,610 0.042,611 0.007,612 -0.108,613 -0.011,614 0.082,615 -0.09,616 -0.017,617 -0.095,618 -0.055,619 -0.078,620 -0.028,621 -0.11,622 -0.044,623 0.065,624 -0.007,625 0.031,626 -0.04,627 0.035,628 -0.077,629 -0.105,630 -0.039,631 -0.057,632 -0.073,633 -0.01,634 4.307,635 5.735,636 0.63,637 26.79,638 0.995,639 1.135,640 1.583,641 2.504,642 0.633,643 3.401,644 3.738,645 3.97,646 4.143,647 4.277,648 4.205,649 4.248,650 4.357,651 4.382,652 4.466,653 7.029,654 0.582,655 393.61,656 3.401,657 4.949,658 5.79,659 6.666,660 7.528,661 8.405,662 9.275,663 10.155,664 11.03,665 11.911,666 5.2,669 2,673 1,681 5,686 1,688 6,703 58,705 9,706 1,707 29,709 60,710 20,711 6,712 1,713 5,717 3,718 3,721 2,724 6,727 7,729 7,730 13,733 3,736 1,737 3,741 1,744 1,747 31,748 6,749 1,750 7,751 1,755 3,760 1,761 3,773 1,775 1,776 2,783 1,792 1,796 3,799 1,801 2,805 27,808 1,810 8,811 1,814 3,815 2,825 5.2,828 3,832 14.583,833 10.483,834 5.889,835 3.785,836 1.085,837 1.153,838 0.939,839 6.695,840 8.196,841 3.584,842 4.086,843 4.404,844 4.679,845 5,846 4.761,847 4.859,848 5.082,849 5.134,850 5.298,851 0.875,852 41,853 10.352,854 4.669,855 7.787,856 19.854,857 17.096,859 2.287,860 61.75,864 353.133,865 97.29,866 22.654,868 69.458,870 5.807,871 91.483,872 422.591,873 22.654,874 17.65,875 36.572,876 53.189,877 74.163,878 7.828,880 353.133,882 353.133,883 114.136,884 69.458,885 5.807,887 188.338,888 234.253,891 58.865,892 55.271,893 5.807,895 353.133,896 92.112,897 97.29,899 5.807,900 353.133,901 26.451,902 69.675,903 18.011,904 69.458,905 353.133,906 92.112,907 97.29,909 0.59,910 0.345,911 0.169,912 0.087,913 19,914 9,915 0.1,916 6,918 1,919 3.86,920 221.03,922 17,923 116.382,927 1,928 20.474,929 8.829,930 4.969,932 92.112,933 10.411,938 1.306,940 18.011,941 542.535,942 35,945 -3.391,946 37.726,950 -0.127,952 57.734,953 65.856,954 0.266,955 0.541,956 0.755,957 0.829,958 0.837,959 0.837,960 4.856,961 1.349,962 5.814,963 3.165,964 4.419,965 4.771,966 2.242,967 6.671,968 4.337,969 6.046,970 1,971 7.419,972 3.031,973 4.205,974 4.856,975 1.668,976 7.951,977 4.031,978 7.379,979 1,980 9.148,981 2.275,982 6.103,983 6.931,984 3.075,985 11.019,986 5.902,987 8.757,988 0.802,989 10.959,990 2.136,991 6.735,992 7.898,993 3.135,994 13.186,995 6.422,996 10.183,997 0.754,998 12.826,999 2.028,1000 8.165,1001 9.57,1002 4.217,1003 15.904,1004 7.816,1005 11.642,1006 0.206,1007 14.734,1008 1.93,1009 9.152,1010 10.876,1011 4.564,1012 18.371,1013 8.69,1014 13.127,1015 -0.297,1016 16.673,1017 0.506,1018 10.438,1019 12.443,1020 5.468,1021 21.011,1022 9.919,1023 3.537,1024 -0.785,1025 18.635,1026 -0.743,1027 11.577,1028 13.88,1029 5.961,1030 23.577,1031 10.952,1032 2.817,1033 13.694,1034 20.615,1035 -1.851,1036 12.825,1037 15.419,1038 6.764,1039 26.199,1040 12.129,1041 2.685,1042 9.16,1043 22.608,1044 4.632,1045 14.028,1046 16.909,1047 7.335,1048 28.798,1049 13.235,1050 2.435,1051 7.787,1052 24.612,1053 3.457,1054 15.272,1055 18.441,1056 8.08,1057 31.415,1058 14.399,1059 2.091,1060 7.019,1061 26.624,1062 3.149,1063 16.505,1064 19.954,1065 8.695,1066 34.026,1067 15.54,1068 1.742,1069 5.944,1070 28.642,1071 2.602,1072 17.753,1073 21.485,1074 9.407,1075 36.642,1076 16.706,1077 1.416,1078 4.852,1079 30.665,1080 2.249,1081 19,1082 23.008,1083 10.046,1084 39.257,1085 17.865,1086 8953,1087 13905,1088 18.781,1089 36.688,1090 43.625,1091 45.14,1092 44.845,1093 43.721,1094 43.666,1095 51.578,1096 7.282,1097 127.052,1098 42.088,1099 5.897,1100 6.712,1101 7.493,1102 5.507,1103 5.537,1104 7.632,1105 3.423,1106 21.87,1107 5.27,1108 14.848,1109 1.504,1110 1.557,1111 1.546,1112 1.508,1113 1.506,1114 1.779,1115 0.251,1116 4.381,1117 1.451,1118 4.081,1119 4.083,1120 4.737,1121 4.028,1122 7.714,1123 3.929,1124 3.946,1125 3.984,1126 3.871,1127 3.865,1128 7.428,1129 3.852,1130 3.815,1131 3.86,1132 3.739,1133 3.686,1134 6.999,1135 3.677,1136 3.694,1137 3.735,1138 3.608,1139 3.57,1140 4.757,1141 3.546,1142 3.362,1143 3.431,1144 3.246,1145 3.127,1146 4.36,1147 3.145,1148 3.224,1149 3.251,1150 3.129,1151 3.045,1152 4.223,1153 2.982,1154 3.141,1155 3.206,1156 2.999,1157 2.963,1158 4.089,1159 2.966,1160 3.111,1161 3.199,1162 2.866,1163 2.941,1164 3.914,1165 2.91,1166 0.169,1167 0.162,1168 0.265,1169 0.154,1170 0.122,1171 4.897,1172 0.16,1173 4.712,1174 0.067,1175 7.691,1176 0.472,1177 4.466,1178 0.113,1179 3.537,1180 4.632,1181 1.956,1182 13.694,1183 3.27,1184 1.928,1185 1.893,1186 2.078,1187 2.065,1188 1.414,1189 2.074,1190 1.849,1191 1.865,1192 1.99,1193 1.976,1194 1.286,1195 2.026,1196 1.798,1197 1.747,1198 1.893,1199 1.936,1200 1.216,1201 1.961,1202 1.605,1203 1.549,1204 1.856,1205 1.781,1206 1.136,1207 1.805,1208 1.44,1209 1.369,1210 1.655,1211 1.673,1212 0.945,1213 1.688,1214 1.239,1215 1.168,1216 1.513,1217 1.479,1218 0.825,1219 1.494,1220 1.153,1221 1.064,1222 1.493,1223 1.376,1224 0.729,1225 1.429,1226 1.029,1227 1.017,1228 1.417,1229 1.283,1230 0.469,1231 1.308,1232 4.078,1233 5.407,1234 2.398,1235 6.927,1236 4.595,1237 8.528,1238 6.629,1239 10.172,1241 3.343,1247 6.449,1248 3.115,1251 -0.902,1252 3.82,1257 33.771,1258 90.234,1259 183.692,1260 256.379,1261 281.498,1262 284.253,1263 284.253,1264 73.642,1265 7.112,1266 69.72,1267 78.1,1268 17,1269 12.448,1270 3.322,1271 2.807,1272 47.285,1273 115,1274 113,1275 0.202,1276 212.23,1277 373.9,1278 509.601,1279 11884,1281 19.441,1282 0.72,1283 0.634,1284 19.691,1285 17.12,1286 12.875,1287 0.444,1288 0.395,1289 9.965,1290 11.607,1291 9.56,1292 7.91,1293 13.664,1294 11.453,1295 12.017,1296 0.293,1297 0.252,1298 13.402,1299 10.349,1300 9.807,1301 0.189,1302 0.152,1303 11.208,1304 7.894,1305 7.319,1306 0.118,1307 0.088,1308 8.17,1309 5.433,1310 5.638,1311 0.079,1312 0.054,1313 6.374,1314 3.824,1315 0.323,1316 88.25,1317 0.231,1318 26.298,1319 0.535,1320 140,1321 375.69,1322 193.292,1323 378.702,1324 503.99,1325 348,1326 163,1327 332.764,1328 223.076,1329 370.11,1330 538.29,1331 347,1332 4.538}
{0 CHEMBL395627,1 1.623,2 10.593,3 1.718,4 2.95,5 105.178,6 7.453,7 0.367,8 4.049,9 4.162,10 3.77,11 3.627,12 4.999,13 3.57,14 4.659,15 4.827,16 4.097,17 4.066,18 5.799,19 3.98,20 4.989,21 5.215,22 4.184,23 4.239,24 5.969,25 4.104,26 5.027,27 5.246,28 4.163,29 4.143,30 6.163,31 4.046,32 4.909,33 5.11,34 4.038,35 4.031,36 6.271,37 3.945,38 4.811,39 5.019,40 3.962,41 4.037,42 5.894,43 3.92,44 4.89,45 5.122,46 3.875,47 4.054,48 5.887,49 3.914,50 4.864,51 5.115,52 3.681,53 3.952,54 5.828,55 3.796,56 0.084,57 0.798,58 14.33,59 5.305,60 15.026,61 6.731,62 0.37,63 1.343,64 24.083,65 9.173,66 53.803,67 12.08,68 0.384,69 1.721,70 40.71,71 13.691,72 57.192,73 17.261,74 0.566,75 1.633,76 43.766,77 13.028,78 94.973,79 16.046,80 0.842,81 1.414,82 35.82,83 10.934,84 160.056,85 13.485,86 0.354,87 1.382,88 32.208,89 11.075,90 69.309,91 13.942,92 0.418,93 1.461,94 36.629,95 12.018,96 68.729,97 15.239,98 0.422,99 1.355,100 35.489,101 11.383,102 74.822,103 15.065,104 10,105 43,106 0.271,107 0.56,108 0.715,109 0.827,110 0.843,111 0.856,112 3.341,113 1.101,114 -2.92,115 -2.93,116 -2.83,119 38.5,121 4,125 3,127 2,138 7,139 2,140 1,151 1,163 10,165 3,166 2,169 1,171 4,172 13,175 1,176 7,179 1,181 1,183 10,187 13,191 1,192 1,194 4,197 2,198 8,201 2,205 7,209 8,212 1,214 2,217 6,221 9,224 1,226 3,227 4,231 2,236 3,238 8,242 2,245 2,247 2,249 6,252 1125,253 18.256,254 18.256,255 18.256,256 18.256,257 18.256,258 16.618,259 21.057,260 10.763,261 18.561,262 14.818,263 14.818,264 14.818,265 14.818,266 14.818,267 12.222,268 30.817,269 5.097,270 15.311,271 4.078,272 2.347,273 1.421,274 0.745,275 0.654,276 0.577,277 4.035,281 1,282 1,283 1,284 627,285 3.606,287 75.129,288 227.795,292 118.247,295 1.726,296 39.094,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 58.5,308 286,309 4.958,310 4.734,311 7.735,312 4.494,313 3.565,314 4.791,315 1.956,316 13.976,317 3.294,318 4.354,319 3.754,320 6.361,321 3.896,322 2.906,323 4.25,324 0.465,325 9.495,326 2.88,327 3.992,328 2.869,329 6.136,330 3.737,331 2.756,332 3.165,333 0.4,334 8.962,335 2.682,336 3.483,337 2.695,338 5.474,339 3.416,340 2.45,341 2.629,342 0.132,343 7.108,344 2.363,345 3.261,346 2.529,347 5.179,348 2.873,349 1.888,350 2.433,352 5.608,353 1.847,354 3.118,355 1.781,356 4.473,357 2.618,358 1.618,359 2.427,361 4.422,362 1.618,363 2.958,364 1.697,365 4.344,366 2.608,367 1.617,368 2.05,370 4.051,371 1.6,372 2.821,373 1.618,374 3.768,375 2.351,376 1.399,377 1.888,379 3.045,380 1.339,381 2.427,382 1.396,383 3.609,384 2.317,385 1.331,386 1.418,388 2.948,389 1.297,390 2.16,391 1.21,392 3.525,393 1.984,394 1,395 1.002,397 2.136,398 0.983,399 2,400 1.077,401 3.362,402 1.806,403 0.834,404 1,406 2.136,407 0.806,408 1.935,409 0.982,410 3.247,411 1.737,412 0.752,413 0.865,415 1.908,416 0.735,417 1.869,418 0.67,419 3.171,420 1.635,421 0.64,422 0.791,424 1.518,425 0.637,426 1.032,427 0.482,428 2.849,429 0.771,430 -0.217,431 -0.238,433 -0.517,434 -0.212,435 1,436 0.12,437 2.578,438 0.527,439 -0.451,440 -0.652,442 -1.115,443 -0.435,444 13.033,445 0.483,446 0.704,447 0.026,448 31.75,449 1.176,450 14.5,451 0.537,452 17.25,453 0.639,454 24.652,455 0.913,456 30.167,457 0.58,458 24.362,459 0.902,460 5.728,461 0.212,462 7.326,463 0.271,464 0.077,465 0.064,466 0.261,472 0.543,473 1.377,474 0.849,475 1.243,476 0.582,477 1.008,478 0.608,479 1.149,480 0.87,481 0.991,482 0.505,483 1.033,484 0.885,485 1.019,486 1.148,487 1.112,488 0.772,489 0.987,490 1.546,491 0.995,492 1.172,493 1.078,494 1.674,495 0.927,496 1.713,497 0.871,498 1.109,499 0.853,500 1.854,501 0.909,502 1.184,503 1.108,504 1.111,505 1.102,506 1.183,507 1.053,508 1.19,509 0.992,510 1.213,511 1.103,512 1.146,513 1.045,514 1.157,515 0.998,516 1.102,517 1.053,518 1.212,519 1.033,520 5.5,521 0.082,522 3.778,523 2.056,524 2.002,525 0.969,526 0.6,527 0.458,528 0.228,529 0.102,530 8819,531 21081,532 2.11,533 48.1,535 15,538 2,540 4,541 4,542 1.703,543 1.988,544 3.378,545 0.267,546 1,547 1,550 84.378,551 1.623,552 3.353,553 4.279,554 4.955,555 5.047,556 5.124,557 2.865,558 4.236,559 4.725,560 3.505,561 1230.41,562 8.215,563 15378,565 1,567 1,568 296.423,569 1.481,570 4.685,571 0.183,572 0.006,573 0.088,574 0.047,575 0.048,576 0.025,577 0.017,578 0.014,579 0.008,580 0.005,581 0.441,582 0.33,583 1,584 0.528,585 132.606,586 0.081,587 -0.119,588 0.215,589 -0.043,590 -0.085,591 0.044,592 0.219,593 0.005,594 0.045,595 0.016,596 0.185,597 -0.05,599 0.041,600 0.005,601 -0.009,602 0.026,603 0.015,604 -0.139,605 -0.009,606 -0.011,607 -0.032,608 -0.154,609 0.027,610 -0.033,611 0.099,612 -0.07,613 0.097,614 0.034,615 0.006,616 -0.081,617 -0.095,618 -0.067,619 -0.066,620 -0.027,621 -0.07,622 -0.129,623 -0.001,624 -0.134,625 -0.067,626 -0.067,627 -0.063,628 -0.12,629 -0.077,630 -0.101,631 -0.073,632 -0.109,633 -0.05,634 4.622,635 6.221,636 0.778,637 24.025,638 1.002,639 1.127,640 1.693,641 2.867,642 0.662,643 3.434,644 3.784,645 4.078,646 4.331,647 4.522,648 4.543,649 4.654,650 4.762,651 4.836,652 4.804,653 6.141,654 0.619,655 387.55,656 3.434,657 4.99,658 5.855,659 6.749,660 7.633,661 8.532,662 9.425,663 10.328,664 11.227,665 12.132,666 5.8,668 1,669 1,673 1,680 2,681 7,686 1,688 11,703 52,705 14,706 2,707 30,709 55,710 20,711 10,712 3,713 7,717 4,718 5,724 6,727 6,729 11,730 9,733 3,736 1,737 3,741 1,743 1,744 1,747 25,748 6,749 2,750 7,751 1,755 3,760 0.75,761 3,773 1,775 1,776 3,780 1,783 1,791 1,796 3,799 1,805 27,808 1,810 7,811 2,814 2,815 1,825 5.8,828 3,832 13.583,833 8.867,834 5.833,835 3.325,836 2.305,837 1.308,838 0.999,839 5.289,840 9.792,841 3.676,842 4.27,843 4.79,844 5.308,845 5.859,846 6.155,847 6.554,848 6.852,849 7.192,850 7.036,851 1,852 44,853 10.403,854 4.877,855 7.824,856 19.646,857 17.235,859 2.324,860 62.75,864 270.735,865 99.998,866 37.54,868 69.458,870 5.807,871 94.19,872 340.193,873 37.54,875 34.466,876 90.152,877 74.163,878 8.215,880 270.735,882 270.735,883 131.73,884 69.458,885 5.807,887 176.567,888 163.627,891 53.995,892 77.735,893 5.807,895 270.735,896 106.998,897 99.998,899 5.807,900 270.735,901 27.857,902 67.852,903 36.022,904 69.458,905 270.735,906 106.998,907 99.998,909 0.587,910 0.351,911 0.189,912 0.099,913 22,914 9,915 0.073,916 4,917 1,918 1.095,919 3.846,920 238.408,921 0.095,922 21,923 122.382,927 1,928 18.578,929 7.686,930 3.784,931 1.881,932 106.998,933 12.837,938 0.253,940 36.022,941 477.731,942 38.5,945 -3.705,946 39.219,950 -0.163,952 52.083,953 58.61,954 0.285,955 0.588,956 0.751,957 0.869,958 0.885,959 0.899,960 4.94,961 1.399,962 5.872,963 4.051,964 4.466,965 4.956,966 2.108,967 6.756,968 4.4,969 6.155,970 1.331,971 7.484,972 3.045,973 4.205,974 5.056,975 1.593,976 8.038,977 4.059,978 7.506,979 1,980 9.221,981 2.948,982 6.163,983 7.262,984 3.032,985 11.152,986 5.998,987 8.905,988 0.834,989 11.041,990 2.136,991 6.781,992 8.239,993 3.114,994 13.322,995 6.511,996 10.35,997 0.752,998 12.916,999 2.136,1000 8.243,1001 9.999,1002 4.207,1003 16.065,1004 7.942,1005 11.827,1006 0.64,1007 14.83,1008 1.908,1009 9.232,1010 11.319,1011 4.559,1012 18.538,1013 8.823,1014 13.328,1015 -0.217,1016 16.773,1017 1.518,1018 10.534,1019 12.937,1020 5.466,1021 21.197,1022 10.072,1023 3.565,1024 -0.451,1025 18.738,1026 -0.517,1027 11.677,1028 14.391,1029 5.96,1030 23.774,1031 11.112,1032 2.906,1033 13.976,1034 20.719,1035 -1.115,1036 12.934,1037 15.962,1038 6.763,1039 26.414,1040 12.299,1041 2.756,1042 9.495,1043 22.713,1044 4.791,1045 14.143,1046 17.471,1047 7.334,1048 29.029,1049 13.41,1050 2.45,1051 8.962,1052 24.718,1053 4.25,1054 15.393,1055 19.026,1056 8.08,1057 31.665,1058 14.579,1059 1.888,1060 7.108,1061 26.731,1062 3.165,1063 16.631,1064 20.558,1065 8.694,1066 34.294,1067 15.723,1068 1.618,1069 5.608,1070 28.75,1071 2.629,1072 17.885,1073 22.11,1074 9.407,1075 36.93,1076 16.891,1077 1.617,1078 4.422,1079 30.775,1080 2.433,1081 19.136,1082 23.654,1083 10.046,1084 39.564,1085 18.052,1086 8307,1087 13018,1088 20.167,1089 34.404,1090 45.303,1091 47.12,1092 46.235,1093 45.55,1094 45.514,1095 57.415,1096 5.904,1097 134.623,1098 44.163,1099 5.958,1100 6.734,1101 7.537,1102 5.567,1103 5.565,1104 7.791,1105 3.423,1106 22.377,1107 5.294,1108 10.706,1109 1.51,1110 1.571,1111 1.541,1112 1.518,1113 1.517,1114 1.914,1115 0.197,1116 4.487,1117 1.472,1118 4.165,1119 4.163,1120 4.746,1121 4.145,1122 7.715,1123 4.094,1124 3.944,1125 3.979,1126 3.968,1127 3.861,1128 7.428,1129 3.818,1130 3.839,1131 3.892,1132 3.766,1133 3.691,1134 6.999,1135 3.677,1136 3.64,1137 3.642,1138 3.6,1139 3.546,1140 4.884,1141 3.511,1142 3.328,1143 3.392,1144 3.251,1145 3.193,1146 4.413,1147 3.154,1148 3.278,1149 3.296,1150 3.201,1151 3.055,1152 4.282,1153 3.081,1154 3.111,1155 3.206,1156 2.906,1157 2.941,1158 4.206,1159 2.91,1160 3.016,1161 3.065,1162 2.866,1163 2.927,1164 3.892,1165 2.91,1166 0.165,1167 0.158,1168 0.258,1169 0.15,1170 0.119,1171 4.958,1172 0.16,1173 4.734,1174 0.065,1175 7.735,1176 0.466,1177 4.494,1178 0.11,1179 3.565,1180 4.791,1181 1.956,1182 13.976,1183 3.294,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.38,1189 2.161,1190 1.826,1191 1.773,1192 2.035,1193 2.024,1194 1.324,1195 2.032,1196 1.715,1197 1.725,1198 1.856,1199 1.852,1200 1.215,1201 1.881,1202 1.601,1203 1.545,1204 1.691,1205 1.773,1206 1.065,1207 1.804,1208 1.415,1209 1.362,1210 1.607,1211 1.589,1212 0.825,1213 1.602,1214 1.17,1215 1.152,1216 1.513,1217 1.419,1218 0.753,1219 1.429,1220 1.153,1221 1.064,1222 1.363,1223 1.376,1224 0.567,1225 1.424,1226 1.052,1227 0.989,1228 1.285,1229 1.252,1230 0.399,1231 1.285,1232 4.111,1233 5.451,1234 2.398,1235 6.997,1236 4.595,1237 8.634,1238 6.629,1239 10.318,1247 5.204,1248 6.328,1251 -0.485,1252 1.382,1257 32.191,1258 84.378,1259 174.365,1260 222.507,1261 257.668,1262 262.423,1263 266.423,1264 63.24,1265 7.487,1266 78.51,1267 86.89,1268 23,1269 12.652,1270 3.907,1271 3.248,1272 40.125,1273 97,1274 104,1275 0.199,1276 198.982,1277 345.36,1278 477.276,1279 18930,1281 18.855,1282 0.698,1283 0.594,1284 19.105,1285 16.043,1286 13.054,1287 0.435,1288 0.367,1289 9.591,1290 11.878,1291 9.32,1292 7.653,1293 13.842,1294 11.013,1295 12.054,1296 0.28,1297 0.214,1298 13.354,1299 9.206,1300 10.278,1301 0.177,1302 0.128,1303 11.592,1304 7.424,1305 8.569,1306 0.114,1307 0.076,1308 9.812,1309 5.709,1310 6.725,1311 0.074,1312 0.045,1313 7.931,1314 4.057,1315 0.309,1316 89.21,1317 0.223,1318 25.748,1319 0.561,1320 146,1321 400.378,1322 198.599,1323 405.514,1324 549.17,1325 374,1326 174,1327 372.121,1328 236.085,1329 412.266,1330 607.75,1331 389,1332 4.481}
{0 CHEMBL395680,1 1.626,2 15.395,3 4.282,4 18.336,5 154.242,6 7.605,7 0.405,8 4.376,9 4.492,10 4.072,11 3.961,12 5.355,13 3.902,14 4.975,15 5.151,16 4.43,17 4.401,18 6.052,19 4.318,20 5.294,21 5.502,22 4.576,23 4.615,24 6.278,25 4.491,26 5.435,27 5.651,28 4.552,29 4.612,30 6.504,31 4.489,32 5.444,33 5.691,34 4.418,35 4.549,36 6.56,37 4.409,38 5.349,39 5.599,40 4.425,41 4.531,42 6.263,43 4.382,44 5.374,45 5.613,46 4.398,47 4.529,48 6.404,49 4.389,50 5.347,51 5.606,52 4.181,53 4.458,54 6.249,55 4.291,56 0.086,57 1.085,58 18.411,59 7.268,60 18.12,61 9.392,62 0.436,63 1.825,64 32.856,65 12.439,66 55.07,67 16.624,68 0.398,69 2.365,70 53.318,71 18.721,72 59.464,73 23.86,74 0.68,75 2.497,76 63.956,77 20.387,78 118.347,79 25.652,80 1.057,81 2.439,82 62.719,83 19.91,84 181.654,85 26.094,86 0.53,87 2.357,88 59.941,89 19.444,90 82.099,91 25.247,92 0.795,93 2.349,94 59.482,95 19.206,96 122.5,97 24.98,98 0.544,99 2.231,100 55.96,101 18.97,102 100.801,103 25.455,104 37,105 61,106 0.251,107 0.549,108 0.739,109 0.861,110 0.875,111 0.875,112 3.668,113 1.078,114 -4.55,115 -4.47,116 -4.21,119 39.7,121 5,124 1,125 4,127 2,138 10,139 3,140 3,151 1,156 1,157 1,158 1,163 13,165 4,166 7,171 2,172 17,174 2,175 2,176 9,181 3,183 14,185 3,186 1,187 15,192 1,194 10,196 1,197 4,198 10,200 1,201 1,205 9,208 1,209 9,217 8,220 1,221 16,226 2,227 8,229 2,231 7,238 8,241 2,242 6,244 1,245 1,249 9,252 2982,253 25.393,254 25.393,255 25.393,256 25.393,257 25.393,258 22.932,259 28.195,260 14.595,261 25.919,262 20.637,263 20.637,264 20.637,265 20.637,266 20.637,267 16.858,268 35.038,269 6.83,270 21.543,271 4.564,272 2.637,273 1.407,274 0.623,275 0.531,276 0.531,277 4.367,279 1,283 1,284 1281,285 4.359,287 117.267,288 497.008,292 185.225,295 2.573,296 49.235,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 81.333,308 585,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.165,328 3.205,329 6.457,330 3.923,331 2.963,332 3.774,333 0.624,334 9.936,335 2.831,336 4.156,337 3.016,338 6.025,339 3.79,340 2.803,341 3.323,342 0.375,343 8.562,344 2.765,345 3.666,346 2.907,347 6.007,348 3.551,349 2.598,350 2.91,352 8.258,353 2.471,354 3.492,355 2.734,356 5.4,357 3.261,358 2.338,359 2.66,361 6.901,362 2.151,363 3.339,364 2.486,365 5.241,366 2.96,367 2.023,368 2.5,370 6.076,371 1.863,372 3.162,373 2.318,374 4.993,375 2.757,376 1.781,377 2.34,379 5.261,380 1.706,381 2.963,382 1.75,383 4.555,384 2.615,385 1.618,386 2.107,388 4.234,389 1.612,390 2.901,391 1.665,392 4.204,393 2.515,394 1.526,395 2.061,397 3.883,398 1.507,399 2.849,400 1.5,401 4.107,402 2.403,403 1.414,404 1.975,406 3.63,407 1.396,408 2.817,409 1.458,410 3.941,411 2.381,412 1.393,413 1.833,415 2.986,416 1.366,417 2.368,418 1.32,419 3.605,420 2.01,421 1.046,422 1.307,424 2.657,425 1.006,426 2.076,427 1.206,428 3.483,429 1.984,430 1,431 1.064,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 18.648,445 0.491,446 1.092,447 0.029,448 45.25,449 1.191,450 21,451 0.553,452 24.25,453 0.638,454 40.854,455 1.075,456 41.952,457 0.575,458 38.289,459 1.008,460 8.337,461 0.219,462 9.915,463 0.261,464 0.14,465 0.045,466 0.306,472 0.57,473 1.39,474 0.753,475 1.164,476 0.629,477 0.991,478 0.693,479 1.078,480 0.769,481 0.882,482 0.509,483 0.924,484 0.906,485 1.105,486 1.049,487 1.115,488 0.758,489 1.023,490 1.465,491 1.118,492 1.124,493 1.129,494 1.62,495 1.065,496 1.289,497 0.875,498 0.932,499 0.846,500 1.401,501 0.917,502 0.92,503 1.023,504 0.847,505 0.991,506 0.88,507 0.941,508 1.098,509 0.978,510 0.967,511 1.034,512 1.19,513 1.014,514 1.037,515 1.031,516 0.89,517 1.002,518 1.166,519 1.023,520 8,521 0.272,522 6.222,523 3.181,524 2.756,525 1.688,526 0.966,527 0.703,528 0.478,529 0.368,530 24945,531 63206,532 2.075,533 47.9,535 23,538 2,540 6,541 4,542 1.784,543 1.924,544 3.869,545 0.149,550 118.696,551 1.626,552 3.553,553 4.783,554 5.566,555 5.659,556 5.659,557 3.389,558 4.965,559 5.215,560 4.082,561 2869.7,562 9.17,563 48694.1,568 451.857,569 1.584,570 5.165,571 0.19,572 0.007,573 0.102,574 0.048,575 0.045,576 0.031,577 0.018,578 0.013,579 0.011,580 0.009,581 0.475,582 0.17,583 0.75,584 0.559,585 213.195,586 0.069,587 -0.147,588 0.141,589 -0.051,590 -0.092,591 0.026,592 0.159,593 0.082,594 0.068,595 0.091,596 0.17,597 0.041,598 -0.011,599 -0.017,600 -0.016,601 -0.042,602 0.046,603 -0.029,604 -0.145,605 -0.113,606 -0.089,607 -0.111,608 -0.15,609 -0.103,610 0.017,611 0.076,612 -0.005,613 0.083,614 0.037,615 0.029,616 -0.003,617 -0.015,618 0.075,619 0.023,620 0.026,621 0.043,622 0.008,623 0.011,624 -0.03,625 -0.053,626 -0.001,627 -0.045,628 -0.076,629 -0.096,630 -0.03,631 -0.05,632 -0.102,633 -0.041,634 4.74,635 6.639,636 0.711,637 52.205,638 0.999,639 1.125,640 3.315,641 10.992,642 0.672,643 3.761,644 4.127,645 4.431,646 4.654,647 4.852,648 4.927,649 5.037,650 5.118,651 5.273,652 5.333,653 8.904,654 0.626,655 555.2,656 3.761,657 5.333,658 6.205,659 7.098,660 7.984,661 8.881,662 9.773,663 10.673,664 11.57,665 12.473,666 5.5,669 2,670 1,673 1,680 2,681 10,686 4,688 17,696 1,702 1,703 73,705 20,706 3,707 42,709 77,710 29,711 16,712 6,713 10,717 5,718 6,719 1,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 35,748 7,749 2,750 9,751 2,755 4,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 1,805 38,806 1,808 1,810 9,814 2,815 3,824 1,825 4.1,828 3,832 19.75,833 12.993,834 8.194,835 4.554,836 3.063,837 1.359,838 0.995,839 8.2,840 11.59,841 3.998,842 4.605,843 5.14,844 5.629,845 6.149,846 6.406,847 6.787,848 7.031,849 7.401,850 7.347,851 1,852 66,853 14.521,854 6.66,855 7.76,856 27.574,857 23.921,859 2.26,860 85.861,864 388.446,865 150.906,866 40.664,867 39.149,868 69.458,870 5.807,871 145.099,872 497.053,873 40.664,874 8.396,875 24.22,876 133.467,877 74.163,878 20.782,880 388.446,881 39.149,882 388.446,883 185.763,884 69.458,885 44.956,887 270.735,888 187.169,891 28.863,892 156.9,893 44.956,895 388.446,896 110.122,897 190.055,899 5.807,900 388.446,901 41.94,902 110.926,904 141.504,905 388.446,906 110.122,907 190.055,909 0.596,910 0.362,911 0.184,912 0.094,913 30,914 14,915 0.091,916 7,917 1,918 1.074,919 4.763,920 376.732,921 0.074,922 27,923 193.421,927 1,928 27.263,929 11.43,930 5.698,931 1.569,932 110.122,933 18.392,938 2.773,940 32.897,941 688.623,942 53.5,945 -3.823,946 40.873,950 -0.106,952 72.927,953 82.129,954 0.263,955 0.574,956 0.773,957 0.899,958 0.914,959 0.914,960 5.274,961 1.781,962 6.229,963 6.076,964 4.812,965 5.293,966 2.253,967 7.109,968 4.727,969 6.496,970 1.618,971 7.845,972 5.261,973 4.575,974 5.345,975 1.738,976 8.326,977 4.388,978 7.841,979 1.526,980 9.577,981 4.234,982 6.509,983 7.567,984 3.107,985 11.432,986 6.322,987 9.23,988 1.414,989 11.382,990 3.883,991 7.116,992 8.477,993 3.217,994 13.521,995 6.82,996 10.659,997 1.393,998 13.235,999 3.63,1000 8.556,1001 10.245,1002 4.292,1003 16.245,1004 8.244,1005 12.118,1006 1.046,1007 15.124,1008 2.986,1009 9.52,1010 11.515,1011 4.678,1012 18.665,1013 9.104,1014 13.6,1015 1,1016 17.04,1017 2.657,1018 10.801,1019 13.134,1020 5.58,1021 21.304,1022 10.345,1023 3.57,1024 0.926,1025 18.977,1026 2.275,1027 11.917,1028 14.556,1029 6.104,1030 23.853,1031 11.365,1032 3.05,1033 13.988,1034 20.932,1035 2.153,1036 13.153,1037 16.123,1038 6.909,1039 26.479,1040 12.541,1041 2.963,1042 10.275,1043 22.902,1044 4.797,1045 14.338,1046 17.613,1047 7.507,1048 29.078,1049 13.634,1050 2.803,1051 9.936,1052 24.884,1053 4.374,1054 15.57,1055 19.163,1056 8.258,1057 31.706,1058 14.792,1059 2.598,1060 8.562,1061 26.876,1062 3.774,1063 16.788,1064 20.684,1065 8.895,1066 34.327,1067 15.921,1068 2.338,1069 8.258,1070 28.877,1071 3.323,1072 18.026,1073 22.231,1074 9.617,1075 36.959,1076 17.078,1077 2.023,1078 6.901,1079 30.885,1080 2.91,1081 19.262,1082 23.768,1083 10.276,1084 39.589,1085 18.226,1086 23277,1087 37375,1088 27.739,1089 49.074,1090 63.807,1091 65.937,1092 66.249,1093 64.092,1094 63.774,1095 80.187,1096 7.57,1097 191.122,1098 61.085,1099 5.96,1100 6.734,1101 7.426,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.307,1109 1.519,1110 1.57,1111 1.577,1112 1.526,1113 1.518,1114 1.909,1115 0.18,1116 4.551,1117 1.454,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.97,1125 4.014,1126 4.084,1127 3.88,1128 7.427,1129 3.875,1130 3.935,1131 3.96,1132 3.886,1133 3.866,1134 6.999,1135 3.822,1136 3.844,1137 3.889,1138 3.784,1139 3.713,1140 5.105,1141 3.701,1142 3.652,1143 3.653,1144 3.627,1145 3.555,1146 4.996,1147 3.522,1148 3.476,1149 3.55,1150 3.466,1151 3.28,1152 4.525,1153 3.282,1154 3.292,1155 3.359,1156 3.339,1157 3.193,1158 4.507,1159 3.151,1160 3.276,1161 3.297,1162 3.186,1163 3.1,1164 4.364,1165 3.098,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.932,1191 1.899,1192 2.078,1193 2.067,1194 1.326,1195 2.075,1196 1.84,1197 1.789,1198 2.012,1199 1.992,1200 1.226,1201 2.001,1202 1.715,1203 1.73,1204 1.858,1205 1.856,1206 1.206,1207 1.878,1208 1.609,1209 1.555,1210 1.73,1211 1.78,1212 1.068,1213 1.811,1214 1.457,1215 1.393,1216 1.656,1217 1.659,1218 0.896,1219 1.683,1220 1.378,1221 1.319,1222 1.608,1223 1.545,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.467,1230 0.759,1231 1.503,1232 4.443,1233 5.796,1234 2.398,1235 7.349,1236 4.595,1237 8.989,1238 6.629,1239 10.673,1241 1.828,1242 6.267,1245 6.085,1247 6.952,1251 -0.562,1252 5.613,1257 45.673,1258 118.696,1259 259.377,1260 349.128,1261 406.347,1262 413.102,1263 413.102,1264 97.549,1265 8.528,1266 86.95,1267 95.33,1268 29,1269 12.994,1270 4.392,1271 3.644,1272 59.402,1273 201,1274 214,1275 0.14,1276 284.265,1277 496.09,1278 685.365,1279 77004,1280 1.4,1281 26.863,1282 0.707,1283 0.613,1284 27.613,1285 23.295,1286 18.252,1287 0.435,1288 0.359,1289 13.297,1290 16.685,1291 12.84,1292 10.551,1293 19.329,1294 15.098,1295 16.963,1296 0.278,1297 0.208,1298 18.634,1299 12.665,1300 14.958,1301 0.18,1302 0.124,1303 16.631,1304 10.333,1305 11.898,1306 0.114,1307 0.074,1308 13.457,1309 7.71,1310 9.178,1311 0.072,1312 0.043,1313 10.577,1314 5.443,1315 0.226,1316 124.19,1317 0.19,1318 34.894,1319 0.37,1320 206,1321 542.518,1322 276.199,1323 578.337,1324 777.76,1325 534,1326 247,1327 519.66,1328 324.125,1329 575.349,1330 846.53,1331 541,1332 6.553}
{0 CHEMBL396166,1 1.659,2 15.421,3 5.693,4 32.41,5 154.346,6 8.093,7 0.405,8 4.349,9 4.455,10 4.098,11 3.964,12 5.317,13 3.901,14 4.957,15 5.127,16 4.47,17 4.405,18 6.046,19 4.319,20 5.277,21 5.48,22 4.602,23 4.616,24 6.263,25 4.485,26 5.4,27 5.611,28 4.583,29 4.598,30 6.471,31 4.473,32 5.398,33 5.631,34 4.438,35 4.535,36 6.537,37 4.398,38 5.315,39 5.552,40 4.441,41 4.524,42 6.253,43 4.373,44 5.353,45 5.593,46 4.432,47 4.521,48 6.373,49 4.378,50 5.298,51 5.54,52 4.253,53 4.455,54 6.231,55 4.29,56 0.069,57 1.016,58 16.468,59 7.157,60 15.327,61 8.992,62 0.442,63 1.755,64 31.014,65 12.258,66 55.248,67 15.951,68 0.444,69 2.279,70 54.233,71 18.992,72 61.448,73 23.464,74 0.705,75 2.395,76 63.518,77 20.712,78 116.926,79 24.979,80 1.076,81 2.334,82 63.088,83 19.868,84 180.069,85 24.868,86 0.584,87 2.284,88 60.23,89 19.6,90 84.304,91 24.583,92 0.808,93 2.288,94 59.824,95 19.88,96 120.658,97 24.996,98 0.584,99 2.105,100 58.264,101 19.215,102 100.303,103 24.549,104 37,105 61,106 0.258,107 0.53,108 0.733,109 0.862,110 0.875,111 0.875,112 3.668,113 1.098,114 -5.49,115 -5.37,116 -5.02,119 40.8,121 5,124 1,125 4,127 2,138 10,139 3,140 3,151 1,163 13,165 4,166 7,172 20,175 2,176 9,183 15,186 1,187 16,194 12,197 4,198 9,205 9,208 1,209 10,217 10,220 1,221 16,227 6,231 8,238 10,241 2,242 5,249 9,252 3006,253 25.341,254 25.341,255 25.341,256 25.341,257 25.341,258 22.907,259 28.466,260 14.576,261 25.987,262 20.659,263 20.659,264 20.659,265 20.659,266 20.659,267 16.884,268 35.432,269 6.855,270 21.798,271 4.491,272 2.739,273 1.436,274 0.602,275 0.518,276 0.518,277 4.367,279 2,284 1283,285 4.359,287 117.775,288 498.546,292 185.826,295 2.601,296 49.096,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 81.167,308 586,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 0.8,325 10.275,326 2.942,327 4.159,328 3.205,329 6.457,330 3.923,331 2.963,332 3.648,333 0.624,334 9.936,335 2.83,336 4.044,337 3.022,338 6.008,339 3.643,340 2.681,341 3.323,342 0.375,343 8.262,344 2.576,345 3.667,346 2.933,347 5.526,348 3.538,349 2.584,350 2.91,352 7.49,353 2.459,354 3.496,355 2.757,356 5.387,357 3.261,358 2.342,359 2.673,361 6.865,362 2.143,363 3.371,364 2.528,365 5.235,366 2.966,367 2.029,368 2.562,370 6.077,371 1.864,372 3.253,373 2.403,374 4.993,375 2.869,376 1.957,377 2.485,379 5.321,380 1.726,381 3.155,382 2.317,383 4.738,384 2.737,385 1.765,386 2.309,388 5.215,389 1.671,390 2.944,391 1.665,392 4.552,393 2.606,394 1.609,395 2.083,397 4.222,398 1.596,399 2.831,400 1.5,401 4.108,402 2.382,403 1.394,404 1.845,406 3.631,407 1.366,408 2.67,409 1.366,410 3.942,411 2.189,412 1.212,413 1.745,415 2.692,416 1.155,417 2.368,418 1.277,419 3.495,420 2.01,421 1.046,422 1.307,424 2.6,425 1.006,426 2.07,427 1.205,428 3.478,429 1.984,430 1,431 1.06,433 2.275,434 0.983,435 2,436 1.093,437 3.414,438 1.881,439 0.926,440 1,442 2.153,443 0.852,444 18.962,445 0.499,446 1.109,447 0.029,448 44.75,449 1.178,450 20.5,451 0.539,452 24.25,453 0.638,454 41.848,455 1.101,456 41.638,457 0.586,458 37.092,459 0.976,460 8.172,461 0.215,462 10.063,463 0.265,464 0.154,465 0.044,466 0.301,472 0.5,473 1.415,474 0.667,475 1.13,476 0.559,477 0.97,478 0.681,479 1.06,480 0.704,481 0.83,482 0.501,483 0.893,484 0.907,485 1.078,486 1.013,487 1.087,488 0.765,489 1.011,490 1.388,491 1.104,492 1.005,493 1.077,494 1.596,495 1.019,496 1.314,497 0.905,498 0.937,499 0.859,500 1.446,501 0.929,502 0.885,503 1.069,504 0.834,505 1.033,506 0.909,507 0.991,508 0.996,509 0.952,510 0.82,511 0.964,512 1.131,513 0.954,514 1.095,515 1.059,516 0.967,517 1.032,518 1.214,519 1.044,520 8.5,521 0.272,522 5.778,523 3.181,524 2.836,525 1.577,526 0.966,527 0.75,528 0.47,529 0.364,530 25085,531 69814,532 2.075,533 46.5,535 23,540 6,541 4,542 1.784,543 1.924,544 3.884,545 -0.758,550 117.776,551 1.659,552 3.411,553 4.713,554 5.548,555 5.632,556 5.632,557 3.399,558 4.965,559 5.214,560 4.095,561 2878.65,562 9.168,563 48968.6,568 436.632,569 1.584,570 5.165,571 0.202,572 0.008,573 0.095,574 0.049,575 0.046,576 0.029,577 0.018,578 0.014,579 0.01,580 0.009,581 0.48,582 0.17,583 0.63,584 0.559,585 213.396,586 0.086,587 -0.207,588 0.115,589 -0.082,590 -0.068,591 0.005,592 0.14,593 0.1,594 0.057,595 0.098,596 0.174,597 0.039,598 -0.027,599 0.006,600 -0.038,601 -0.042,602 0.038,603 -0.032,604 -0.132,605 -0.099,606 -0.054,607 -0.074,608 -0.138,609 -0.063,610 -0.029,611 0.068,612 -0.045,613 0.07,614 0.022,615 0.013,616 0.005,617 -0.043,618 0.027,619 -0.031,620 0.013,621 -0.013,622 0.034,623 0.035,624 0.03,625 0.003,626 0.021,627 0.015,628 -0.099,629 -0.116,630 -0.063,631 -0.068,632 -0.115,633 -0.058,634 4.739,635 6.637,636 0.711,637 52.975,638 1.002,639 1.121,640 4.265,641 18.189,642 0.689,643 3.761,644 4.127,645 4.419,646 4.654,647 4.852,648 4.927,649 5.037,650 5.118,651 5.268,652 5.323,653 8.966,654 0.641,655 574.62,656 3.761,657 5.333,658 6.201,659 7.094,660 7.977,661 8.874,662 9.764,663 10.665,664 11.56,665 12.463,666 4.2,669 2,673 1,680 2,681 10,686 4,688 17,702 2,703 71,705 20,706 3,707 42,709 75,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 6,727 7,729 17,730 12,733 3,736 1,737 3,741 1,747 33,748 6,750 9,751 3,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,802 2,805 38,808 1,810 9,814 2,815 3,824 2,825 4.2,828 3,832 19.75,833 12.802,834 8.167,835 4.499,836 3.035,837 1.356,838 0.991,839 8.44,840 11.562,841 3.998,842 4.605,843 5.131,844 5.632,845 6.15,846 6.413,847 6.785,848 7.03,849 7.402,850 7.343,851 1,852 65,853 14.518,854 6.656,855 7.762,856 27.567,857 23.911,859 2.262,860 85.972,864 388.446,865 151.65,866 7.767,867 78.297,868 69.458,870 5.807,871 145.842,872 536.202,873 7.767,874 8.396,875 24.22,876 100.57,877 74.163,878 21.526,880 388.446,881 78.297,882 388.446,883 153.61,884 69.458,885 84.105,887 270.735,888 187.169,891 28.863,892 124.747,893 84.105,895 388.446,896 77.225,897 229.947,899 5.807,900 388.446,901 42.684,902 110.926,904 147.755,905 388.446,906 77.225,907 229.947,909 0.595,910 0.356,911 0.184,912 0.095,913 30,914 14,915 0.093,916 7,917 1,918 1.074,919 4.776,920 375.763,921 0.074,922 27,923 193.421,927 1,928 27.575,929 11.631,930 5.966,931 1.57,932 77.225,933 18.393,938 2.763,941 695.619,942 53.5,945 -3.822,946 40.864,950 -0.104,952 71.149,953 79.574,954 0.27,955 0.555,956 0.766,957 0.902,958 0.916,959 0.916,960 5.274,961 1.957,962 6.225,963 6.077,964 4.812,965 5.293,966 2.253,967 7.099,968 4.709,969 6.496,970 1.765,971 7.836,972 5.321,973 4.575,974 5.345,975 1.738,976 8.304,977 4.35,978 7.84,979 1.609,980 9.561,981 5.215,982 6.503,983 7.562,984 3.107,985 11.409,986 6.291,987 9.225,988 1.394,989 11.36,990 4.222,991 7.099,992 8.463,993 3.217,994 13.497,995 6.768,996 10.651,997 1.212,998 13.209,999 3.631,1000 8.54,1001 10.232,1002 4.292,1003 16.226,1004 8.2,1005 12.107,1006 1.046,1007 15.095,1008 2.692,1009 9.497,1010 11.497,1011 4.678,1012 18.65,1013 9.048,1014 13.585,1015 1,1016 17.01,1017 2.6,1018 10.779,1019 13.117,1020 5.58,1021 21.293,1022 10.294,1023 3.57,1024 0.926,1025 18.948,1026 2.275,1027 11.894,1028 14.538,1029 6.104,1030 23.845,1031 11.31,1032 3.05,1033 13.988,1034 20.905,1035 2.153,1036 13.132,1037 16.107,1038 6.909,1039 26.473,1040 12.491,1041 2.963,1042 10.275,1043 22.877,1044 4.797,1045 14.318,1046 17.598,1047 7.507,1048 29.075,1049 13.585,1050 2.681,1051 9.936,1052 24.862,1053 4.374,1054 15.552,1055 19.15,1056 8.258,1057 31.704,1058 14.747,1059 2.584,1060 8.262,1061 26.857,1062 3.648,1063 16.772,1064 20.673,1065 8.895,1066 34.326,1067 15.878,1068 2.342,1069 7.49,1070 28.86,1071 3.323,1072 18.012,1073 22.221,1074 9.617,1075 36.958,1076 17.039,1077 2.029,1078 6.865,1079 30.871,1080 2.91,1081 19.251,1082 23.759,1083 10.276,1084 39.588,1085 18.191,1086 23408,1087 39296,1088 27.739,1089 48.926,1090 63.832,1091 66.099,1092 66.065,1093 64.353,1094 63.857,1095 80.259,1096 7.57,1097 190.877,1098 60.444,1099 5.96,1100 6.734,1101 7.298,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 20.39,1109 1.52,1110 1.574,1111 1.573,1112 1.532,1113 1.52,1114 1.911,1115 0.18,1116 4.545,1117 1.439,1118 4.17,1119 4.167,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.967,1125 4.009,1126 4.085,1127 3.885,1128 7.427,1129 3.876,1130 3.931,1131 3.954,1132 4.002,1133 3.868,1134 6.999,1135 3.822,1136 3.842,1137 3.882,1138 3.804,1139 3.714,1140 4.999,1141 3.702,1142 3.652,1143 3.653,1144 3.635,1145 3.555,1146 4.936,1147 3.522,1148 3.476,1149 3.549,1150 3.469,1151 3.286,1152 4.508,1153 3.286,1154 3.293,1155 3.358,1156 3.418,1157 3.194,1158 4.396,1159 3.152,1160 3.277,1161 3.297,1162 3.28,1163 3.105,1164 4.311,1165 3.102,1166 0.118,1167 0.113,1168 0.184,1169 0.107,1170 0.085,1171 4.96,1172 0.114,1173 4.734,1174 0.047,1175 7.737,1176 0.333,1177 4.499,1178 0.079,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.43,1189 2.154,1190 1.926,1191 1.896,1192 2.073,1193 2.062,1194 1.326,1195 2.071,1196 1.838,1197 1.789,1198 1.996,1199 1.969,1200 1.225,1201 1.985,1202 1.715,1203 1.73,1204 1.858,1205 1.854,1206 1.205,1207 1.877,1208 1.609,1209 1.555,1210 1.725,1211 1.78,1212 1.068,1213 1.81,1214 1.456,1215 1.393,1216 1.649,1217 1.655,1218 0.893,1219 1.679,1220 1.377,1221 1.319,1222 1.604,1223 1.541,1224 0.825,1225 1.569,1226 1.239,1227 1.183,1228 1.544,1229 1.465,1230 0.758,1231 1.502,1232 4.443,1233 5.796,1234 2.398,1235 7.345,1236 4.595,1237 8.981,1238 6.629,1239 10.662,1241 1.829,1242 12.375,1247 7.037,1251 -0.557,1252 5.624,1257 45.479,1258 117.776,1259 242.152,1260 334.658,1261 393.877,1262 399.877,1263 399.877,1264 97.011,1265 8.528,1266 60.93,1267 69.31,1268 29,1269 12.985,1270 4.392,1271 3.644,1272 59.417,1273 202,1274 216,1275 0.14,1276 285.803,1277 500.3,1278 689.12,1279 77004,1280 2.8,1281 26.863,1282 0.707,1283 0.628,1284 28.113,1285 23.851,1286 18.235,1287 0.434,1288 0.366,1289 13.231,1290 16.394,1291 12.74,1292 10.444,1293 19.601,1294 15.371,1295 17.079,1296 0.28,1297 0.214,1298 19.158,1299 13.033,1300 14.752,1301 0.18,1302 0.127,1303 16.686,1304 10.421,1305 11.92,1306 0.115,1307 0.076,1308 13.747,1309 7.862,1310 9.185,1311 0.072,1312 0.044,1313 10.761,1314 5.549,1315 0.225,1316 126.976,1317 0.19,1318 34.935,1319 0.367,1320 206,1321 559.409,1322 290.692,1323 622.145,1324 824.56,1325 574,1326 246,1327 526.677,1328 331.884,1329 591.493,1330 870.15,1331 556,1332 6.398}
{0 CHEMBL396786,1 1.528,2 13,3 5.763,4 33.213,5 136.099,6 7.362,7 0.471,8 4.241,9 4.388,10 3.793,11 3.732,12 5.226,13 3.686,14 4.811,15 5.037,16 4.16,17 4.115,18 5.746,19 4.037,20 5.047,21 5.302,22 4.243,23 4.272,24 5.908,25 4.16,26 5.125,27 5.379,28 4.295,29 4.303,30 6.039,31 4.167,32 5.178,33 5.476,34 4.023,35 4.243,36 5.969,37 4.096,38 5.085,39 5.366,40 4.099,41 4.21,42 5.919,43 4.089,44 5.034,45 5.288,46 4.174,47 4.246,48 5.912,49 4.134,50 5.12,51 5.386,52 4.25,53 4.287,54 6.013,55 4.152,56 0.038,57 0.97,58 14.565,59 5.435,60 9.355,61 8.183,62 0.356,63 1.479,64 29.406,65 9.189,66 29.964,67 13.886,68 0.424,69 1.695,70 41.624,71 11.795,72 34.386,73 17.854,74 0.555,75 1.801,76 49.455,77 13.069,78 53.51,79 19.607,80 0.55,81 1.813,82 45.945,83 12.196,84 49.48,85 19.509,86 0.516,87 1.702,88 42.61,89 10.994,90 46.897,91 17.729,92 0.437,93 1.709,94 38.718,95 11.046,96 38.876,97 17.236,98 0.521,99 1.732,100 44.574,101 12.174,102 51.325,103 19.108,104 52,105 46,106 0.245,107 0.542,108 0.738,109 0.83,110 0.851,111 0.851,112 3.502,113 1.067,114 -6.56,115 -6.38,116 -5.92,119 35.4,120 4,121 2,125 5,127 1,138 3,139 1,140 2,143 1,145 1,146 1,148 1,153 1,163 3,165 3,166 4,169 3,171 3,172 8,175 2,176 1,179 1,181 2,183 4,186 1,187 6,190 3,191 1,192 3,194 6,198 7,201 2,203 1,205 2,209 8,214 4,220 2,221 8,226 5,227 3,231 8,236 3,238 3,241 1,242 5,245 1,249 8,252 2068,253 21.627,254 21.627,255 21.627,256 21.627,257 21.627,258 19.676,259 33.897,260 12.708,261 22.498,262 16.574,263 16.574,264 16.574,265 16.574,266 16.574,267 13.526,268 50.197,269 5.783,270 17.989,271 4.495,272 2.644,273 1.424,274 0.851,275 0.723,276 0.723,277 4.182,279 2,283 1,284 861,285 4.359,287 81.446,288 200.087,291 146.331,295 2.063,296 24.207,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 68.167,308 416,309 4.651,310 3.298,311 6.814,312 4.145,313 3.209,314 4.616,315 0.8,316 11.282,317 3.002,318 4.229,319 3.236,320 6.059,321 3.784,322 2.851,323 3.879,324 0.657,325 8.706,326 2.629,327 3.81,328 2.792,329 5.544,330 3.495,331 2.564,332 3.225,333 0.4,334 7.521,335 2.395,336 3.517,337 2.754,338 5.274,339 3.353,340 2.437,341 2.865,343 6.651,344 2.23,345 3.456,346 2.717,347 5.239,348 3.13,349 2.213,350 2.754,352 6.397,353 2.026,354 3.421,355 2.37,356 5.069,357 3.024,358 2.113,359 2.47,361 5.919,362 1.905,363 3.277,364 2.172,365 4.956,366 2.922,367 2.02,368 2.381,370 5.792,371 1.751,372 2.998,373 1.959,374 4.716,375 2.656,376 1.728,377 2.09,379 4.979,380 1.599,381 2.847,382 1.834,383 4.181,384 2.372,385 1.472,386 1.978,388 3.776,389 1.245,390 2.357,391 1.207,392 3.763,393 2.102,394 1.124,395 1.302,397 2.435,398 1.097,399 2.14,400 1.103,401 3.377,402 1.875,403 0.954,404 1.137,406 2.334,407 0.871,408 1.954,409 0.845,410 3.237,411 1.633,412 0.711,413 0.861,415 1.617,416 0.643,417 1.618,418 0.744,419 2.926,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.558,427 0.56,428 2.718,429 1.335,430 0.392,431 0.444,433 0.68,434 0.363,435 1.258,436 0.362,437 2.636,438 1.106,439 0.143,440 0.146,442 0.246,443 0.136,444 15.729,445 0.492,446 0.729,447 0.023,448 36.5,449 1.141,450 15,451 0.469,452 21.5,453 0.672,454 35.096,455 1.097,456 36.471,457 0.561,458 26.144,459 0.817,460 6.639,461 0.207,462 8.805,463 0.275,464 0.218,466 0.305,472 0.832,473 1.725,474 0.675,475 1.162,476 0.752,477 1.08,478 0.852,479 1.083,480 0.684,481 0.855,482 0.551,483 0.884,484 1.048,485 1.039,486 0.868,487 0.873,488 0.875,489 0.883,490 0.841,491 1.196,492 0.885,493 1.102,494 0.851,495 1.083,496 1.048,497 0.926,498 0.751,499 0.795,500 1.024,501 0.872,502 1.039,503 0.984,504 0.76,505 0.812,506 0.932,507 0.848,508 1.006,509 1.077,510 0.783,511 0.901,512 0.9,513 0.949,514 0.878,515 1.101,516 0.777,517 0.956,518 0.771,519 0.978,520 7,521 0.23,522 3.333,523 2.535,524 1.463,525 0.993,526 0.697,527 0.649,528 0.379,529 0.368,530 13727,531 34506,532 1.993,533 50.8,535 14,537 1,538 2,540 16,542 1.747,543 1.846,544 3.627,545 0.239,550 99.295,551 1.528,552 3.378,553 4.599,554 5.172,555 5.299,556 5.299,557 3.129,558 4.812,559 4.964,560 3.841,561 1905.06,562 8.703,563 28771.5,568 391.454,569 1.477,570 4.918,571 0.206,572 0.007,573 0.072,574 0.053,575 0.033,576 0.025,577 0.017,578 0.014,579 0.009,580 0.01,581 0.447,582 0.17,583 0.63,584 1.867,585 169.804,586 -0.025,587 -0.372,588 0.026,589 -0.119,590 -0.04,591 -0.046,592 0.133,593 0.094,594 0.097,595 0.092,596 0.243,597 0.08,598 -0.022,599 0.025,600 0.049,601 0.09,602 0.036,603 0.086,604 0.159,605 -0.151,606 0.044,607 -0.131,608 0.152,609 -0.108,610 -0.1,611 0.067,613 0.077,614 -0.117,615 0.049,616 -0.056,617 0.041,618 0.038,619 0.086,620 -0.009,621 0.086,622 -0.042,623 0.018,624 0.008,625 0.027,626 -0.016,627 0.005,628 0.076,629 -0.068,630 0.08,631 -0.011,632 0.131,633 -0.014,634 1.084,635 2.242,636 0.469,637 38.703,638 0.996,639 1.141,640 5.327,641 28.377,642 0.653,643 3.555,644 3.85,645 4.094,646 4.331,647 4.489,648 4.605,649 4.718,650 4.875,651 4.92,652 4.99,653 7.696,654 0.603,655 478.53,656 3.555,657 5.081,658 5.916,659 6.783,660 7.638,661 8.515,662 9.38,663 10.264,664 11.137,665 12.026,666 10.8,669 1,671 2,674 1,676 3,680 2,681 4,682 3,686 5,687 1,688 16,697 2,702 2,703 65,705 16,706 1,707 34,709 67,710 23,711 11,712 3,713 3,717 3,718 4,719 2,721 4,727 3,729 11,730 12,747 33,748 6,749 2,750 9,751 2,753 1,755 7,760 0.667,771 1,775 1,776 2,779 1,792 1,796 2,801 4,802 2,805 32,810 7,811 2,814 1,815 1,824 2,832 17.333,833 12.702,834 7.361,835 4.495,836 3.031,837 1.401,838 0.95,839 9.411,840 10.591,841 3.761,842 4.341,843 4.917,844 5.509,845 5.992,846 6.303,847 6.644,848 7.04,849 7.193,850 7.461,851 0.889,852 48,853 11.815,854 4.779,855 7.554,856 23.058,857 18.318,859 2.054,860 65.722,864 364.904,865 106.219,866 91.401,867 78.297,871 106.219,872 443.201,873 91.401,874 35.301,875 15.598,876 28.429,877 106.768,878 16.926,879 6.371,880 353.133,881 78.297,882 364.904,883 197.62,885 78.297,887 178.282,888 188.338,891 66.439,892 43.088,893 164.675,895 364.904,896 91.401,897 184.516,900 364.904,901 33.871,902 77.372,903 36.022,904 128.654,905 364.904,906 91.401,907 184.516,909 0.569,910 0.337,911 0.176,912 0.087,913 19,914 10,915 0.179,916 12,917 1,918 1.133,919 4.269,920 276.578,921 0.133,922 15,923 156,928 25.034,929 12.031,930 6.709,931 1.557,932 89.502,933 7.309,934 13.933,938 3.509,939 2.04,940 36.022,941 640.822,942 42,952 64.73,953 74.189,954 0.254,955 0.561,956 0.764,957 0.859,958 0.88,959 0.88,960 4.99,961 1.728,962 5.894,963 5.792,964 4.533,965 5.027,966 1.145,967 6.683,968 4.371,969 6.182,970 1.472,971 7.442,972 4.979,973 4.111,974 4.902,975 0.325,976 7.567,977 3.816,978 7.485,979 1.124,980 9.087,981 3.776,982 6.107,983 7.246,984 0.634,985 10.645,986 5.803,987 8.826,988 0.954,989 10.79,990 2.435,991 6.494,992 7.981,993 0.268,994 12.387,995 6.073,996 10.202,997 0.711,998 12.531,999 2.334,1000 7.954,1001 9.823,1002 0.364,1003 15.007,1004 7.513,1005 11.603,1006 0.618,1007 14.3,1008 1.617,1009 8.726,1010 10.97,1011 0.188,1012 17.139,1013 8.186,1014 13.026,1015 0.392,1016 16.092,1017 0.791,1018 9.978,1019 12.615,1020 0.215,1021 19.614,1022 9.403,1023 3.209,1024 0.143,1025 17.903,1026 0.68,1027 10.941,1028 13.962,1029 0.125,1030 21.916,1031 10.281,1032 2.851,1033 11.282,1034 19.73,1035 0.246,1036 12.114,1037 15.527,1038 0.129,1039 24.347,1040 11.407,1041 2.564,1042 8.706,1043 21.57,1044 4.616,1045 13.171,1046 16.967,1047 0.082,1048 26.719,1049 12.389,1050 2.437,1051 7.521,1052 23.423,1053 3.879,1054 14.319,1055 18.503,1056 0.079,1057 29.139,1058 13.481,1059 2.213,1060 6.651,1061 25.285,1062 3.225,1063 15.422,1064 19.986,1065 0.054,1066 31.539,1067 14.514,1068 2.113,1069 6.397,1070 27.156,1071 2.865,1072 16.565,1073 21.512,1074 0.048,1075 33.958,1076 15.598,1077 2.02,1078 5.919,1079 29.034,1080 2.754,1081 17.692,1082 23.016,1083 0.035,1084 36.37,1085 16.657,1086 13690,1087 22127,1088 22.076,1089 42.415,1090 49.123,1091 49.887,1092 51.981,1093 49.519,1094 49.102,1095 61.531,1096 3.715,1097 138.25,1098 44.988,1099 5.587,1100 5.298,1101 6.432,1102 5.228,1103 5.209,1104 7.616,1105 1.457,1106 18.242,1107 5.002,1108 19.075,1109 1.445,1110 1.467,1111 1.529,1112 1.456,1113 1.444,1114 1.81,1115 0.109,1116 4.066,1117 1.323,1118 4.106,1119 4.163,1120 4.116,1121 3.931,1122 5.154,1123 3.957,1124 3.912,1125 3.933,1126 4.053,1127 3.851,1128 5.011,1129 3.851,1130 3.805,1131 3.879,1132 3.667,1133 3.639,1134 4.63,1135 3.634,1136 3.643,1137 3.726,1138 3.599,1139 3.447,1140 4.573,1141 3.446,1142 3.478,1143 3.561,1144 3.511,1145 3.277,1146 4.338,1147 3.279,1148 3.306,1149 3.407,1150 3.349,1151 3.123,1152 4.269,1153 3.116,1154 3.304,1155 3.386,1156 3.226,1157 3.12,1158 4.131,1159 3.089,1160 3.271,1161 3.365,1162 3.058,1163 3.083,1164 4.067,1165 3.062,1166 0.137,1167 0.097,1168 0.2,1169 0.122,1170 0.094,1171 4.651,1172 0.136,1173 3.298,1174 0.024,1175 6.814,1176 0.332,1177 4.145,1178 0.088,1179 3.209,1180 4.616,1181 0.8,1182 11.282,1183 3.002,1184 1.91,1185 1.888,1186 2.019,1187 2.061,1188 1.339,1189 2.039,1190 1.828,1191 1.78,1192 1.979,1193 1.974,1194 1.165,1195 1.989,1196 1.76,1197 1.695,1198 1.912,1199 1.936,1200 1.124,1201 1.942,1202 1.62,1203 1.541,1204 1.885,1205 1.851,1206 1.093,1207 1.863,1208 1.532,1209 1.455,1210 1.725,1211 1.758,1212 0.869,1213 1.761,1214 1.351,1215 1.256,1216 1.723,1217 1.584,1218 0.86,1219 1.638,1220 1.292,1221 1.205,1222 1.633,1223 1.526,1224 0.794,1225 1.567,1226 1.238,1227 1.166,1228 1.446,1229 1.481,1230 0.606,1231 1.484,1232 4.234,1233 5.533,1234 2.398,1235 7.02,1236 4.727,1237 8.6,1238 6.843,1239 10.232,1241 8.65,1242 12.381,1247 6.762,1248 6.881,1251 0.259,1252 2.441,1257 39.18,1258 99.295,1259 219.562,1260 298.925,1261 336.17,1262 344.434,1263 344.434,1264 59.715,1265 7.561,1266 70.9,1267 70.9,1268 17,1269 12.56,1270 4.087,1271 3.17,1272 61.087,1273 142,1274 161,1275 0.202,1276 252.948,1277 425.62,1278 608.953,1279 19959,1280 3.1,1281 23.087,1282 0.721,1283 0.651,1284 24.087,1285 20.84,1286 15.443,1287 0.454,1288 0.356,1289 11.259,1290 14.301,1291 10.827,1292 9.064,1293 16.021,1294 12.098,1295 13.368,1296 0.291,1297 0.19,1298 14.147,1299 8.746,1300 11.055,1301 0.187,1302 0.106,1303 11.671,1304 6.243,1305 9.055,1306 0.121,1307 0.056,1308 9.751,1309 4.18,1310 6.567,1311 0.075,1312 0.027,1313 6.925,1314 2.41,1315 0.321,1316 102.332,1317 0.213,1318 30.191,1319 0.546,1320 160,1321 423.298,1322 205.471,1323 474.383,1324 639.41,1325 444,1326 185,1327 436.768,1328 221.9,1329 460.543,1330 676.82,1331 434,1332 5.959}
{0 CHEMBL396787,1 1.503,2 13.034,3 5.705,4 32.545,5 124.938,6 7.491,7 0.516,8 4.126,9 4.266,10 3.698,11 3.664,12 5.112,13 3.609,14 4.69,15 4.904,16 4.066,17 4.048,18 5.61,19 3.965,20 4.944,21 5.192,22 4.131,23 4.193,24 5.816,25 4.071,26 5.014,27 5.273,28 4.133,29 4.208,30 5.865,31 4.049,32 5.023,33 5.318,34 3.935,35 4.14,36 5.795,37 3.978,38 4.95,39 5.232,40 3.983,41 4.114,42 5.757,43 3.966,44 4.847,45 5.107,46 3.936,47 4.07,48 5.7,49 3.927,50 4.859,51 5.132,52 3.862,53 4.016,54 5.702,55 3.844,56 0.059,57 0.85,58 12.616,59 5.207,60 8.657,61 7.467,62 0.217,63 1.338,64 25.487,65 8.564,66 21.685,67 12.596,68 0.349,69 1.563,70 37.679,71 11.077,72 34.158,73 16.261,74 0.445,75 1.606,76 45.6,77 12.614,78 43.201,79 18.269,80 0.408,81 1.592,82 39.739,83 12.394,84 39.818,85 18.452,86 0.392,87 1.479,88 38.556,89 11.465,90 38.544,91 17.044,92 0.317,93 1.395,94 32.81,95 10.408,96 33.573,97 15.327,98 0.352,99 1.329,100 34.845,101 10.497,102 38.52,103 15.535,104 36,105 42,106 0.247,107 0.564,108 0.759,109 0.848,110 0.848,111 0.848,112 3.407,113 1.065,114 -6.39,115 -6.23,116 -5.78,119 37.9,120 3,121 2,125 4,127 1,138 5,139 2,140 2,141 1,143 1,154 1,159 1,163 5,165 1,166 8,169 1,171 3,172 9,175 1,176 6,181 2,183 4,187 9,190 1,192 1,194 9,198 6,201 2,205 7,209 6,214 1,217 8,220 1,221 5,226 3,227 7,231 3,236 3,238 6,241 1,242 3,249 6,252 1485,253 19.549,254 19.549,255 19.549,256 19.549,257 19.549,258 17.591,259 27.823,260 11.518,261 20.189,262 15.164,263 15.164,264 15.164,265 15.164,266 15.164,267 12.241,268 40.407,269 5.332,270 16.246,271 4.355,272 2.426,273 1.235,274 0.694,275 0.694,276 0.694,277 4.088,279 2,283 1,284 788,285 4.062,287 72.791,288 181.592,291 130.116,295 2.176,296 19.192,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 61.167,308 378,309 4.561,310 3.31,311 6.561,312 4.067,313 3.116,314 4.508,315 0.8,316 10.425,317 2.963,318 4.222,319 3.104,320 6.061,321 3.767,322 2.833,323 3.878,324 0.522,325 8.733,326 2.621,327 3.765,328 2.794,329 5.457,330 3.489,331 2.543,332 3.151,333 0.4,334 7.293,335 2.405,336 3.495,337 2.758,338 5.271,339 3.35,340 2.431,341 2.816,343 6.646,344 2.233,345 3.449,346 2.679,347 5.137,348 3.09,349 2.168,350 2.6,352 6.156,353 2.001,354 3.291,355 2.235,356 4.918,357 2.958,358 2.022,359 2.456,361 5.549,362 1.853,363 3.155,364 2.032,365 4.786,366 2.78,367 1.842,368 2.209,370 5.372,371 1.661,372 2.838,373 1.736,374 4.219,375 2.348,376 1.431,377 1.971,379 3.756,380 1.241,381 2.694,382 1.276,383 4.042,384 2.184,385 1.235,386 1.782,388 3.309,389 1.166,390 2.216,391 1.197,392 3.393,393 2.103,394 1.124,395 1.167,397 2.374,398 1.098,399 2.114,400 0.875,401 3.274,402 1.706,403 0.757,404 1.033,406 1.785,407 0.712,408 1.618,409 0.744,410 2.968,411 1.591,412 0.618,413 0.618,415 0.791,416 0.6,417 1.577,418 0.641,419 2.799,420 1.216,421 0.303,422 0.371,424 0.727,425 0.251,426 1.224,427 0.294,428 2.618,429 1.1,430 0.145,431 0.15,433 0.26,434 0.135,435 1.029,436 0.256,437 2.359,438 0.763,439 -0.163,440 -0.188,442 -0.365,443 -0.147,444 14.429,445 0.498,446 0.677,447 0.023,448 33,449 1.138,450 14.5,451 0.5,452 18.5,453 0.638,454 29.913,455 1.031,456 32.371,457 0.558,458 22.386,459 0.772,460 6.093,461 0.21,462 7.901,463 0.272,464 0.203,466 0.298,472 0.702,473 1.48,474 0.648,475 1.068,476 0.694,477 1.029,478 0.914,479 1.21,480 0.679,481 0.882,482 0.589,483 0.9,484 1.173,485 1.051,486 0.909,487 0.884,488 0.922,489 0.916,490 0.898,491 1.112,492 0.887,493 1.04,494 0.884,495 1.045,496 0.685,497 0.897,498 0.617,499 0.799,500 0.65,501 0.834,502 0.806,503 0.915,504 0.716,505 0.814,506 0.764,507 0.825,508 0.85,509 1.023,510 0.76,511 0.917,512 0.737,513 0.96,514 0.865,515 1.044,516 0.818,517 0.976,518 0.868,519 1.018,520 6.5,521 0.178,522 3.111,523 1.917,524 1.302,525 0.764,526 0.68,527 0.433,528 0.284,529 0.216,530 11146,531 27795,532 2.013,533 50,535 14,537 1,538 1,540 13,542 1.717,543 1.871,544 3.646,545 -0.336,550 87.164,551 1.503,552 3.431,553 4.623,554 5.164,555 5.164,556 5.164,557 3.112,558 4.72,559 4.824,560 3.845,561 1561.17,562 8.391,563 22168.4,568 339.763,569 1.453,570 4.78,571 0.21,572 0.008,573 0.074,574 0.046,575 0.035,576 0.022,577 0.019,578 0.013,579 0.01,580 0.009,581 0.445,582 0.33,583 0.88,584 1.876,585 150.279,586 0.064,587 -0.187,588 0.027,589 -0.072,590 -0.017,591 -0.028,592 0.027,593 -0.046,594 0.077,595 0.055,596 0.165,597 0.056,598 -0.108,599 0.015,600 -0.001,601 0.057,602 0.018,603 0.035,604 0.07,605 -0.109,606 0.038,607 -0.078,608 0.066,609 -0.074,610 0.106,611 0.065,612 0.118,613 0.112,614 0.117,615 0.119,616 0.071,617 0.061,618 0.113,619 0.122,620 0.091,621 0.138,622 0.019,623 0.012,624 0.034,625 0.021,626 0.092,627 0.003,628 0.036,629 -0.056,630 0.03,631 -0.036,632 0.022,633 -0.056,634 1.038,635 2.216,636 0.517,637 33.843,638 0.994,639 1.134,640 5.164,641 26.671,642 0.666,643 3.466,644 3.761,645 3.989,646 4.205,647 4.382,648 4.466,649 4.605,650 4.736,651 4.754,652 4.852,653 7.618,654 0.614,655 434.46,656 3.466,657 4.99,658 5.82,659 6.681,660 7.53,661 8.398,662 9.258,663 10.132,664 11,665 11.879,666 8.6,669 1,671 1,674 1,676 2,680 2,681 6,682 2,686 4,687 1,688 16,697 1,702 2,703 58,705 16,706 1,707 31,709 60,710 22,711 12,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 12,730 10,747 29,748 4,749 1,750 7,751 2,755 5,760 0.667,769 1,770 1,775 1,776 2,779 1,792 1,796 2,801 3,802 2,805 29,810 6,811 1,814 1,815 1,824 2,832 15.5,833 11.169,834 6.583,835 3.929,836 3.126,837 1.419,838 0.957,839 8.045,840 10.593,841 3.689,842 4.273,843 4.835,844 5.416,845 5.933,846 6.232,847 6.644,848 7.086,849 7.26,850 7.629,851 0.889,852 42,853 10.702,854 4.353,855 7.536,856 20.964,857 16.844,859 2.036,860 59.056,864 329.591,865 113.199,866 56.36,867 78.297,871 113.199,872 407.888,873 56.36,874 26.476,875 13.492,876 47.381,877 64.946,878 26.708,879 2.328,880 317.82,881 78.297,882 329.591,883 169.559,885 78.297,887 176.567,888 153.024,891 55.631,892 62.469,893 129.757,895 329.591,896 56.36,897 191.496,900 329.591,901 30.295,902 87.805,903 18.011,904 111.746,905 329.591,906 56.36,907 191.496,909 0.573,910 0.332,911 0.168,912 0.084,913 18,914 9,915 0.167,916 10,917 1,918 1.133,919 4.1,920 238.603,921 0.133,922 15,923 136.881,928 22.198,929 10.51,930 6.001,931 1.853,932 54.584,933 11.436,934 9.295,938 3.101,939 1.876,940 18.011,941 577.447,942 39,952 57.643,953 65.777,954 0.257,955 0.586,956 0.789,957 0.881,958 0.881,959 0.881,960 4.913,961 1.431,962 5.796,963 5.372,964 4.443,965 4.959,966 1.038,967 6.567,968 4.309,969 6.105,970 1.235,971 7.334,972 3.756,973 4.007,974 4.796,975 0.325,976 7.391,977 3.741,978 7.402,979 1.124,980 8.966,981 3.309,982 6.004,983 7.168,984 0.507,985 10.446,986 5.754,987 8.737,988 0.757,989 10.652,990 2.374,991 6.365,992 7.857,993 0.268,994 12.095,995 5.997,996 10.103,997 0.618,998 12.374,999 1.785,1000 7.828,1001 9.718,1002 0.277,1003 14.675,1004 7.464,1005 11.495,1006 0.303,1007 14.122,1008 0.791,1009 8.566,1010 10.82,1011 0.188,1012 16.697,1013 8.105,1014 12.905,1015 0.145,1016 15.89,1017 0.727,1018 9.813,1019 12.469,1020 0.167,1021 19.112,1022 9.338,1023 3.116,1024 -0.163,1025 17.673,1026 0.26,1027 10.739,1028 13.775,1029 0.125,1030 21.305,1031 10.186,1032 2.833,1033 10.425,1034 19.47,1035 -0.365,1036 11.897,1037 15.332,1038 0.105,1039 23.662,1040 11.317,1041 2.543,1042 8.733,1043 21.278,1044 4.508,1045 12.918,1046 16.737,1047 0.082,1048 25.932,1049 12.272,1050 2.431,1051 7.293,1052 23.095,1053 3.878,1054 14.042,1055 18.256,1056 0.067,1057 28.271,1058 13.361,1059 2.168,1060 6.646,1061 24.921,1062 3.151,1063 15.11,1064 19.707,1065 0.054,1066 30.577,1067 14.372,1068 2.022,1069 6.156,1070 26.754,1071 2.816,1072 16.225,1073 21.212,1074 0.043,1075 32.912,1076 15.446,1077 1.842,1078 5.549,1079 28.593,1080 2.6,1081 17.318,1082 22.687,1083 0.035,1084 35.235,1085 16.486,1086 11051,1087 17894,1088 20.285,1089 38.642,1090 45.278,1091 45.86,1092 47.32,1093 45.485,1094 45.133,1095 57.419,1096 3.443,1097 126.353,1098 41.879,1099 5.495,1100 5.31,1101 6.179,1102 5.131,1103 5.116,1104 7.508,1105 1.322,1106 17.217,1107 4.963,1108 16.409,1109 1.461,1110 1.479,1111 1.526,1112 1.467,1113 1.456,1114 1.852,1115 0.111,1116 4.076,1117 1.351,1118 4.114,1119 4.164,1120 4.133,1121 3.976,1122 5.11,1123 3.993,1124 3.888,1125 3.906,1126 4.02,1127 3.84,1128 4.996,1129 3.833,1130 3.805,1131 3.879,1132 3.668,1133 3.639,1134 4.628,1135 3.634,1136 3.634,1137 3.714,1138 3.594,1139 3.445,1140 4.522,1141 3.443,1142 3.394,1143 3.465,1144 3.499,1145 3.22,1146 4.328,1147 3.228,1148 3.306,1149 3.407,1150 3.298,1151 3.123,1152 4.149,1153 3.089,1154 3.241,1155 3.329,1156 3.115,1157 3.071,1158 4.092,1159 3.049,1160 3.071,1161 3.132,1162 3.04,1163 2.951,1164 3.892,1165 2.936,1166 0.147,1167 0.107,1168 0.212,1169 0.131,1170 0.101,1171 4.561,1172 0.145,1173 3.31,1174 0.026,1175 6.561,1176 0.336,1177 4.067,1178 0.096,1179 3.116,1180 4.508,1181 0.8,1182 10.425,1183 2.963,1184 1.926,1185 1.9,1186 2.029,1187 2.056,1188 1.34,1189 2.046,1190 1.863,1191 1.834,1192 1.984,1193 1.977,1194 1.181,1195 1.991,1196 1.761,1197 1.696,1198 1.931,1199 1.932,1200 1.126,1201 1.941,1202 1.607,1203 1.53,1204 1.865,1205 1.804,1206 1.02,1207 1.83,1208 1.391,1209 1.318,1210 1.725,1211 1.657,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.639,1217 1.584,1218 0.844,1219 1.628,1220 1.296,1221 1.209,1222 1.536,1223 1.522,1224 0.691,1225 1.567,1226 1.073,1227 1.015,1228 1.293,1229 1.265,1230 0.437,1231 1.283,1232 4.143,1233 5.442,1234 2.398,1235 6.925,1236 4.727,1237 8.493,1238 6.823,1239 10.109,1241 6.633,1242 12.33,1247 6.187,1248 3.529,1251 0.359,1252 2.456,1257 35.61,1258 87.164,1259 199.026,1260 268.114,1261 299.498,1262 299.498,1263 299.498,1264 50.166,1265 7.467,1266 45.98,1267 45.98,1268 17,1269 12.418,1270 4.087,1271 3.17,1272 52.684,1273 131,1274 134,1275 0.194,1276 229.767,1277 386.32,1278 552.392,1279 18530,1280 3.4,1281 20.803,1282 0.717,1283 0.65,1284 21.803,1285 18.841,1286 13.995,1287 0.451,1288 0.355,1289 10.207,1290 12.984,1291 9.809,1292 8.194,1293 14.572,1294 11.007,1295 12.286,1296 0.293,1297 0.195,1298 13.065,1299 8.205,1300 10.085,1301 0.19,1302 0.11,1303 10.701,1304 5.808,1305 8.05,1306 0.122,1307 0.059,1308 8.73,1309 3.914,1310 5.989,1311 0.076,1312 0.03,1313 6.386,1314 2.332,1315 0.312,1316 92.777,1317 0.222,1318 28.061,1319 0.511,1320 146,1321 373.32,1322 187.474,1323 427.928,1324 573.82,1325 400,1326 168,1327 386.441,1328 201.098,1329 410.718,1330 598.83,1331 387,1332 6.553}
{0 CHEMBL396836,1 1.57,2 13.133,3 2.929,4 8.577,5 118.635,6 7.248,7 0.364,8 4.16,9 4.276,10 3.847,11 3.735,12 5.107,13 3.673,14 4.765,15 4.942,16 4.159,17 4.156,18 5.87,19 4.066,20 5.09,21 5.316,22 4.236,23 4.329,24 6.031,25 4.187,26 5.177,27 5.414,28 4.208,29 4.259,30 6.241,31 4.149,32 5.087,33 5.308,34 4.066,35 4.194,36 6.345,37 4.097,38 5.027,39 5.262,40 3.957,41 4.236,42 5.928,43 4.084,44 5.092,45 5.363,46 3.875,47 4.202,48 5.917,49 4.011,50 4.985,51 5.267,52 3.672,53 3.974,54 5.895,55 3.798,56 0.082,57 0.885,58 16.208,59 6.028,60 14.805,61 7.809,62 0.4,63 1.49,64 27.45,65 10.097,66 54.882,67 13.583,68 0.374,69 1.911,70 44.271,71 15.023,72 55.593,73 19.305,74 0.601,75 1.898,76 50.277,77 14.907,78 97.323,79 19.136,80 0.902,81 1.696,82 41.147,83 12.811,84 167.505,85 16.902,86 0.38,87 1.708,88 36.934,89 13.541,90 64.872,91 18.458,92 0.348,93 1.763,94 43.193,95 15.069,96 58.191,97 20.358,98 0.477,99 1.489,100 40.514,101 12.407,102 81.217,103 16.887,104 10,105 46,106 0.255,107 0.526,108 0.68,109 0.793,110 0.824,111 0.83,112 3.44,113 1.101,114 -3.5,115 -3.48,116 -3.32,119 39,121 4,125 4,127 2,138 10,139 1,140 1,151 1,163 11,165 3,166 5,169 1,171 2,172 11,175 1,176 9,179 1,181 1,183 5,187 15,190 1,192 1,194 2,197 2,198 6,201 2,205 10,208 1,209 2,214 3,217 10,220 1,221 7,226 4,227 4,231 3,236 3,238 4,241 2,242 3,247 1,249 5,252 1528,253 20.324,254 20.324,255 20.324,256 20.324,257 20.324,258 18.452,259 24.96,260 12.162,261 20.664,262 16.313,263 16.313,264 16.313,265 16.313,266 16.313,267 13.51,268 36.546,269 5.793,270 16.882,271 4.312,272 2.648,273 1.699,274 1.009,275 0.814,276 0.78,277 4.134,282 1,283 1,284 857,285 3.742,287 94.542,288 320.696,295 2.009,296 38.74,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 64.5,308 394,309 4.95,310 4.732,311 7.733,312 4.488,313 3.56,314 4.763,315 1.956,316 13.964,317 3.287,318 4.013,319 3.753,320 6.34,321 3.802,322 2.833,323 3.457,324 0.916,325 9.346,326 2.729,327 3.937,328 3.02,329 5.627,330 3.654,331 2.693,332 3.219,333 0.465,334 7.794,335 2.594,336 3.615,337 2.717,338 5.458,339 3.426,340 2.446,341 3.017,342 0.172,343 7.076,344 2.39,345 3.519,346 2.551,347 5.222,348 3.108,349 2.138,350 2.598,351 0.132,352 6.052,353 2.08,354 3.18,355 2.243,356 4.95,357 2.965,358 1.991,359 2.243,361 5.621,362 1.919,363 2.936,364 1.952,365 4.423,366 2.655,367 1.66,368 2.013,370 4.211,371 1.639,372 2.794,373 1.519,374 3.792,375 2.406,376 1.413,377 1.853,379 3.039,380 1.402,381 2.674,382 1.399,383 3.591,384 2.207,385 1.217,386 1.7,388 2.799,389 1.2,390 2.5,391 1.194,392 3.484,393 2,394 1,395 1.5,397 2.275,398 1,399 2.5,400 1.077,401 3.414,402 2,403 1,404 1.5,406 2.136,407 1,408 2,409 1,410 3.376,411 1.984,412 1,413 1,415 2.136,416 0.983,417 1.936,418 1,419 3.247,420 1.79,421 0.809,422 0.879,424 2.072,425 0.789,426 1.876,427 0.896,428 3.247,429 1.735,430 0.763,431 0.811,433 1.969,434 0.738,435 1.368,436 0.647,437 2.879,438 1.185,439 0.206,440 0.227,442 0.506,443 0.2,444 14.533,445 0.484,446 0.721,447 0.024,448 35.5,449 1.183,450 16.5,451 0.55,452 19,453 0.633,454 28.033,455 0.934,456 33.467,457 0.567,458 27.136,459 0.905,460 6.61,461 0.22,462 7.927,463 0.264,464 0.069,465 0.057,466 0.227,472 0.529,473 1.438,474 0.861,475 1.272,476 0.577,477 1.047,478 0.674,479 1.175,480 0.913,481 1.006,482 0.513,483 1.048,484 0.918,485 1.131,486 1.192,487 1.183,488 0.788,489 1.07,490 1.517,491 1.014,492 1.163,493 1.068,494 1.586,495 0.925,496 1.642,497 0.863,498 1.045,499 0.815,500 1.74,501 0.922,502 0.925,503 1.052,504 0.979,505 1.015,506 0.907,507 1.118,508 0.742,509 1.039,510 1.026,511 1.093,512 0.688,513 1.07,514 1.221,515 0.94,516 1.036,517 0.947,518 1.261,519 0.915,520 6,521 0.133,522 3.556,523 2.181,524 1.877,525 0.733,526 0.605,527 0.407,528 0.24,529 0.162,530 12990,531 31241,532 2.099,533 49.2,535 20,538 1,540 4,541 4,542 1.725,543 1.989,544 3.65,545 -0.349,547 1,550 92.643,551 1.57,552 3.234,553 4.184,554 4.874,555 5.069,556 5.103,557 3.123,558 4.374,559 4.876,560 3.824,561 1663.46,562 8.486,563 23667.7,565 1,567 1,568 347.076,569 1.403,570 4.843,571 0.182,572 0.006,573 0.077,574 0.047,575 0.042,576 0.017,577 0.016,578 0.013,579 0.009,580 0.007,581 0.416,582 0.33,583 1,584 0.496,585 156.134,586 0.106,587 -0.187,588 0.213,589 -0.075,590 -0.077,591 0.017,592 0.211,593 -0.012,594 0.029,595 -0.005,596 0.184,597 -0.067,598 0.003,599 -0.06,600 -0.039,601 -0.09,602 0.023,603 -0.073,604 -0.11,605 -0.029,606 -0.016,607 -0.049,608 -0.107,609 0.024,610 -0.034,611 0.1,612 -0.107,613 0.073,614 0.034,615 -0.006,616 -0.067,617 -0.065,618 -0.11,619 -0.076,620 -0.069,621 -0.132,622 0.014,623 -0.094,624 -0.034,625 -0.101,626 0.015,627 -0.07,628 -0.096,629 -0.043,630 -0.01,631 0.003,632 -0.09,633 0.045,634 4.569,635 5.997,636 0.767,637 32.52,638 0.997,639 1.126,640 2.274,641 5.172,642 0.66,643 3.526,644 3.85,645 4.111,646 4.344,647 4.5,648 4.443,649 4.543,650 4.625,651 4.663,652 4.745,653 7.528,654 0.614,655 427.62,656 3.526,657 5.069,658 5.916,659 6.795,660 7.661,661 8.544,662 9.419,663 10.307,664 11.188,665 12.078,666 5.1,669 2,673 1,681 10,686 2,688 12,703 59,705 15,706 2,707 33,709 62,710 23,711 12,712 2,713 10,717 4,718 4,724 6,727 6,729 13,730 10,733 3,736 1,737 3,741 1,744 1,747 29,748 6,749 1,750 7,751 1,755 3,760 1,761 3,773 1,775 1,776 3,783 1,792 1,796 4,799 1,805 30,808 1,810 8,811 1,814 2,815 2,825 5.1,828 3,832 15.083,833 10.067,834 6.556,835 3.715,836 1.782,837 1.235,838 0.982,839 6.645,840 9.362,841 3.761,842 4.29,843 4.714,844 5.131,845 5.521,846 5.369,847 5.602,848 5.606,849 5.719,850 5.863,851 0.889,852 46,853 11.496,854 5.253,855 7.769,856 21.884,857 18.871,859 2.269,860 68.083,863 1,864 329.591,865 128.572,866 22.654,868 69.458,870 5.807,871 122.764,872 399.049,873 22.654,875 36.572,876 100.57,877 74.163,878 9.379,880 329.591,882 329.591,883 145.418,884 69.458,885 5.807,887 235.422,888 163.627,891 41.215,892 104.203,893 5.807,895 329.591,896 92.112,897 128.572,899 5.807,900 329.591,901 28.002,902 99.405,903 18.011,904 69.458,905 329.591,906 92.112,907 128.572,909 0.581,910 0.341,911 0.183,912 0.096,913 22,914 9,915 0.097,916 6,918 1,919 4.211,920 263.17,922 23,923 133.207,927 1,928 21.203,929 9.403,930 5.008,932 92.112,933 18.787,938 1.548,940 18.011,941 550.274,942 42,945 -3.653,946 38.938,950 -0.159,952 58.851,953 66.441,954 0.267,955 0.55,956 0.711,957 0.829,958 0.862,959 0.867,960 5.011,961 1.413,962 5.916,963 4.211,964 4.533,965 4.977,966 2.242,967 6.765,968 4.46,969 6.197,970 1.217,971 7.504,972 3.039,973 4.205,974 4.913,975 1.668,976 8.003,977 4.031,978 7.52,979 1,980 9.219,981 2.799,982 6.192,983 7.154,984 3.075,985 11.11,986 6.005,987 8.889,988 1,989 11.02,990 2.275,991 6.758,992 8.015,993 3.135,994 13.278,995 6.444,996 10.306,997 1,998 12.883,999 2.136,1000 8.234,1001 9.791,1002 4.217,1003 16.022,1004 7.894,1005 11.76,1006 0.809,1007 14.789,1008 2.136,1009 9.193,1010 11.054,1011 4.564,1012 18.505,1013 8.726,1014 13.243,1015 0.763,1016 16.728,1017 2.072,1018 10.5,1019 12.684,1020 5.468,1021 21.167,1022 9.983,1023 3.56,1024 0.206,1025 18.693,1026 1.969,1027 11.632,1028 14.118,1029 5.961,1030 23.751,1031 10.999,1032 2.833,1033 13.964,1034 20.676,1035 0.506,1036 12.891,1037 15.7,1038 6.764,1039 26.394,1040 12.19,1041 2.693,1042 9.346,1043 22.673,1044 4.763,1045 14.097,1046 17.207,1047 7.335,1048 29.012,1049 13.291,1050 2.446,1051 7.794,1052 24.681,1053 3.457,1054 15.349,1055 18.773,1056 8.08,1057 31.65,1058 14.464,1059 2.138,1060 7.076,1061 26.698,1062 3.219,1063 16.586,1064 20.311,1065 8.695,1066 34.279,1067 15.607,1068 1.991,1069 6.052,1070 28.721,1071 3.017,1072 17.842,1073 21.873,1074 9.407,1075 36.916,1076 16.778,1077 1.66,1078 5.621,1079 30.749,1080 2.598,1081 19.094,1082 23.424,1083 10.046,1084 39.55,1085 17.941,1086 12229,1087 19163,1088 22.246,1089 38.926,1090 49.415,1091 50.757,1092 49.927,1093 49.531,1094 49.456,1095 61.557,1096 7.282,1097 141.989,1098 47.898,1099 5.95,1100 6.732,1101 7.535,1102 5.545,1103 5.56,1104 7.763,1105 3.423,1106 22.34,1107 5.287,1108 11.91,1109 1.497,1110 1.538,1111 1.513,1112 1.501,1113 1.499,1114 1.865,1115 0.221,1116 4.303,1117 1.451,1118 4.113,1119 4.107,1120 4.744,1121 4.084,1122 7.715,1123 3.999,1124 3.949,1125 3.99,1126 3.871,1127 3.866,1128 7.428,1129 3.858,1130 3.837,1131 3.88,1132 3.749,1133 3.715,1134 6.999,1135 3.716,1136 3.77,1137 3.823,1138 3.682,1139 3.647,1140 4.759,1141 3.637,1142 3.509,1143 3.485,1144 3.583,1145 3.424,1146 4.714,1147 3.345,1148 3.354,1149 3.417,1150 3.242,1151 3.125,1152 4.357,1153 3.14,1154 3.141,1155 3.206,1156 2.999,1157 2.963,1158 4.21,1159 2.966,1160 3.111,1161 3.199,1162 2.866,1163 2.941,1164 3.914,1165 2.91,1166 0.15,1167 0.143,1168 0.234,1169 0.136,1170 0.108,1171 4.95,1172 0.144,1173 4.732,1174 0.059,1175 7.733,1176 0.423,1177 4.488,1178 0.1,1179 3.56,1180 4.763,1181 1.956,1182 13.964,1183 3.287,1184 1.959,1185 1.968,1186 2.078,1187 2.066,1188 1.414,1189 2.078,1190 1.928,1191 1.892,1192 1.997,1193 2.024,1194 1.218,1195 2.06,1196 1.806,1197 1.752,1198 1.989,1199 1.948,1200 1.205,1201 1.964,1202 1.616,1203 1.581,1204 1.856,1205 1.795,1206 1.135,1207 1.808,1208 1.563,1209 1.525,1210 1.665,1211 1.744,1212 0.963,1213 1.772,1214 1.274,1215 1.236,1216 1.513,1217 1.51,1218 0.825,1219 1.52,1220 1.157,1221 1.12,1222 1.494,1223 1.376,1224 0.73,1225 1.429,1226 1.153,1227 1.064,1228 1.235,1229 1.346,1230 0.457,1231 1.376,1232 4.205,1233 5.525,1234 2.398,1235 7.045,1236 4.595,1237 8.651,1238 6.629,1239 10.303,1247 6.225,1248 3.127,1251 -0.51,1252 3.78,1257 36.244,1258 92.643,1259 190.824,1260 246.837,1261 287.566,1262 299.076,1263 301.076,1264 71.297,1265 7.581,1266 69.72,1267 78.1,1268 23,1269 12.609,1270 4,1271 3.322,1272 47.296,1273 135,1274 142,1275 0.168,1276 224.831,1277 394.62,1278 540.349,1279 22602,1281 20.976,1282 0.699,1283 0.598,1284 21.226,1285 17.929,1286 14.537,1287 0.441,1288 0.367,1289 10.684,1290 13.336,1291 10.368,1292 8.54,1293 15.326,1294 12.114,1295 13.197,1296 0.287,1297 0.218,1298 14.497,1299 10.022,1300 10.976,1301 0.183,1302 0.133,1303 12.304,1304 7.961,1305 9.041,1306 0.119,1307 0.08,1308 10.303,1309 6.07,1310 7.014,1311 0.079,1312 0.048,1313 8.132,1314 4.268,1315 0.27,1316 98.221,1317 0.212,1318 28.764,1319 0.446,1320 158,1321 425.69,1322 211.292,1323 431.052,1324 581.08,1325 398,1326 185,1327 391.107,1328 248.417,1329 432.715,1330 633.1,1331 407,1332 4.538}
{0 CHEMBL397028,1 1.525,2 12.968,3 5.879,4 34.565,5 131.466,6 7.565,7 0.515,8 4.177,9 4.318,10 3.752,11 3.707,12 5.188,13 3.659,14 4.73,15 4.944,16 4.112,17 4.083,18 5.699,19 4.001,20 4.986,21 5.233,22 4.201,23 4.233,24 5.873,25 4.122,26 5.05,27 5.307,28 4.218,29 4.232,30 5.97,31 4.09,32 5.077,33 5.371,34 3.954,35 4.177,36 5.863,37 4.028,38 5.001,39 5.281,40 4.04,41 4.154,42 5.841,43 4.029,44 4.941,45 5.187,46 4.096,47 4.204,48 5.847,49 4.085,50 5.026,51 5.286,52 4.147,53 4.215,54 5.944,55 4.07,56 0.036,57 0.905,58 13.007,59 5.257,60 8.984,61 7.599,62 0.289,63 1.401,64 26.229,65 8.941,66 28.279,67 13.004,68 0.316,69 1.64,70 38.856,71 11.364,72 34.472,73 16.796,74 0.556,75 1.697,76 46.705,77 12.552,78 53.572,79 18.27,80 0.427,81 1.704,82 41.758,83 12.163,84 44.148,85 18.495,86 0.451,87 1.606,88 39.524,89 11.076,90 44.019,91 16.934,92 0.349,93 1.605,94 34.491,95 10.933,96 37.227,97 16.151,98 0.436,99 1.62,100 40.716,101 12.153,102 50.588,103 18.168,104 36,105 44,106 0.248,107 0.565,108 0.767,109 0.856,110 0.856,111 0.856,112 3.471,113 1.05,114 -6.43,115 -6.26,116 -5.81,119 37.7,120 3,121 2,125 4,127 1,138 5,139 2,140 2,141 1,143 1,145 1,146 1,163 5,165 2,166 7,169 3,171 4,172 9,176 4,181 3,183 4,186 1,187 7,190 3,191 1,192 5,194 7,198 4,201 1,203 1,205 4,209 7,214 5,217 7,220 2,221 3,226 4,227 9,231 7,236 3,238 9,241 1,242 5,245 1,249 5,252 1851,253 20.963,254 20.963,255 20.963,256 20.963,257 20.963,258 18.875,259 29.154,260 12.499,261 21.701,262 16.164,263 16.164,264 16.164,265 16.164,266 16.164,267 13.037,268 45.197,269 5.794,270 17.394,271 4.406,272 2.451,273 1.207,274 0.66,275 0.66,276 0.66,277 4.154,279 2,283 1,284 835,285 4.183,288 277.598,292 151.908,295 2.098,296 23.367,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 65.667,308 402,309 4.535,310 3.275,311 6.538,312 4.039,313 3.087,314 4.472,315 0.8,316 10.351,317 2.941,318 4.228,319 3.134,320 6.058,321 3.781,322 2.849,323 3.879,324 0.657,325 8.702,326 2.627,327 3.713,328 2.788,329 5.45,330 3.462,331 2.518,332 3.092,333 0.4,334 7.252,335 2.379,336 3.527,337 2.752,338 5.271,339 3.339,340 2.42,341 2.89,343 6.645,344 2.221,345 3.451,346 2.657,347 5.227,348 3.081,349 2.178,350 2.76,352 6.344,353 1.957,354 3.43,355 2.285,356 4.956,357 2.96,358 2.055,359 2.457,361 5.793,362 1.876,363 3.172,364 2.063,365 4.808,366 2.921,367 1.985,368 2.243,370 5.434,371 1.756,372 2.88,373 1.965,374 4.188,375 2.385,376 1.484,377 2.043,379 3.799,380 1.369,381 2.853,382 1.419,383 3.896,384 2.377,385 1.406,386 1.984,388 3.145,389 1.251,390 2.518,391 1.245,392 3.604,393 2.122,394 1.155,395 1.525,397 2.794,398 1.114,399 2.139,400 1.194,401 3.374,402 2.045,403 1.092,404 1.134,406 2.341,407 1.035,408 1.936,409 0.897,410 3.211,411 1.596,412 0.674,413 0.826,415 1.594,416 0.602,417 1.618,418 0.744,419 2.826,420 1.591,421 0.618,422 0.618,424 0.791,425 0.6,426 1.365,427 0.414,428 2.717,429 1.124,430 0.163,431 0.17,433 0.304,434 0.156,435 1.218,436 0.298,437 2.618,438 0.913,439 0.029,440 0.035,442 0.068,443 0.023,444 15.329,445 0.494,446 0.677,447 0.022,448 37.25,449 1.202,450 17,451 0.548,452 20.25,453 0.653,454 31.463,455 1.015,456 34.471,457 0.565,458 26.315,459 0.849,460 6.907,461 0.223,462 8.087,463 0.261,464 0.191,466 0.287,472 0.8,473 1.557,474 0.655,475 1.074,476 0.74,477 1.019,478 0.808,479 1.084,480 0.687,481 0.88,482 0.56,483 0.91,484 1.126,485 1.144,486 0.879,487 0.902,488 0.891,489 0.9,490 0.874,491 1.067,492 0.892,493 1.032,494 0.849,495 1.037,496 0.938,497 0.941,498 0.709,499 0.804,500 0.905,501 0.856,502 0.933,503 0.928,504 0.718,505 0.786,506 0.819,507 0.81,508 1.006,509 1.005,510 0.8,511 0.887,512 0.928,513 0.959,514 0.738,515 1.139,516 0.787,517 1.038,518 0.774,519 1.03,520 6.5,521 0.21,522 3.111,523 2.063,524 1.32,525 0.861,526 0.67,527 0.481,528 0.307,529 0.335,530 12945,531 33439,532 2.012,533 49.2,535 14,537 1,538 2,540 13,542 1.738,543 1.879,544 3.637,545 0.225,550 93.017,551 1.525,552 3.48,553 4.723,554 5.271,555 5.271,556 5.271,557 3.127,558 4.761,559 4.92,560 3.84,561 1785.65,562 8.606,563 26505.4,568 361.775,569 1.418,570 4.881,571 0.197,572 0.007,573 0.071,574 0.045,575 0.032,576 0.023,577 0.017,578 0.011,579 0.008,580 0.01,581 0.421,582 0.17,583 0.63,584 1.798,585 163.312,586 -0.031,587 -0.264,588 0.021,589 -0.075,590 -0.043,591 -0.023,592 0.129,593 0.077,594 0.076,595 0.061,596 0.231,597 0.045,598 -0.101,599 -0.093,600 0.033,601 0.051,602 0.027,603 0.06,604 0.162,605 -0.048,606 0.047,607 -0.081,608 0.153,609 -0.078,610 -0.059,611 0.036,612 0.04,613 0.091,614 -0.064,615 0.084,616 0.001,617 0.074,618 0.08,619 0.124,620 0.053,621 0.134,622 -0.084,623 0.079,624 -0.017,625 0.045,626 -0.042,627 -0.005,628 0.148,629 -0.136,630 0.07,631 -0.08,632 0.131,633 -0.055,634 1.091,635 2.209,636 0.516,637 36.539,638 0.996,639 1.136,640 5.197,641 27.004,642 0.666,643 3.526,644 3.807,645 4.025,646 4.234,647 4.431,648 4.5,649 4.595,650 4.727,651 4.828,652 4.875,653 7.665,654 0.617,655 461.49,656 3.526,657 5.043,658 5.866,659 6.72,660 7.561,661 8.422,662 9.272,663 10.139,664 10.995,665 11.866,666 9.8,669 1,671 2,676 3,680 2,681 6,682 3,686 5,688 17,697 2,702 2,703 61,705 17,706 1,707 33,709 63,710 23,711 13,712 3,713 3,717 3,718 4,719 2,721 3,727 3,729 13,730 10,747 30,748 6,749 2,750 8,751 2,755 6,760 0.667,770 1,771 1,776 3,780 1,792 1,796 2,801 3,802 2,805 31,810 6,811 2,814 1,815 1,824 2,832 16.5,833 11.669,834 7.083,835 4.084,836 3.313,837 1.443,838 0.955,839 8.998,840 10.798,841 3.75,842 4.317,843 4.869,844 5.435,845 5.997,846 6.234,847 6.566,848 6.964,849 7.344,850 7.451,851 0.889,852 46,853 11.431,854 4.632,855 7.572,856 22.242,857 17.663,859 2.072,860 64.222,864 329.591,865 115.098,866 89.502,867 78.297,871 115.098,872 407.888,873 89.502,874 26.476,875 13.492,876 47.381,877 98.149,878 26.647,879 4.227,880 317.82,881 78.297,882 329.591,883 204.601,885 78.297,887 178.282,888 153.024,891 54.038,892 62.469,893 164.675,895 329.591,896 89.502,897 193.396,900 329.591,901 32.194,902 86.029,903 36.022,904 128.654,905 329.591,906 89.502,907 193.396,909 0.568,910 0.329,911 0.169,912 0.086,913 18,914 9,915 0.175,916 11,917 1,918 1.125,919 4.242,920 261.674,921 0.125,922 16,923 147.58,928 23.837,929 11.702,930 6.83,931 1.521,932 89.502,933 11.076,934 13.754,938 3.484,940 36.022,941 612.489,942 41.5,952 60.745,953 69.275,954 0.257,955 0.587,956 0.796,957 0.889,958 0.889,959 0.889,960 4.965,961 1.484,962 5.832,963 5.434,964 4.489,965 5.004,966 1.145,967 6.589,968 4.345,969 6.147,970 1.406,971 7.359,972 3.799,973 4.007,974 4.796,975 0.325,976 7.391,977 3.73,978 7.437,979 1.155,980 8.983,981 3.145,982 6.033,983 7.196,984 0.634,985 10.449,986 5.765,987 8.762,988 1.092,989 10.664,990 2.794,991 6.347,992 7.827,993 0.268,994 12.075,995 5.965,996 10.12,997 0.674,998 12.381,999 2.341,1000 7.834,1001 9.72,1002 0.364,1003 14.657,1004 7.452,1005 11.502,1006 0.618,1007 14.125,1008 1.594,1009 8.536,1010 10.773,1011 0.188,1012 16.657,1013 8.063,1014 12.905,1015 0.163,1016 15.888,1017 0.791,1018 9.795,1019 12.443,1020 0.215,1021 19.072,1022 9.306,1023 3.087,1024 0.029,1025 17.668,1026 0.304,1027 10.696,1028 13.713,1029 0.125,1030 21.248,1031 10.133,1032 2.849,1033 10.351,1034 19.46,1035 0.068,1036 11.857,1037 15.28,1038 0.129,1039 23.602,1040 11.267,1041 2.518,1042 8.702,1043 21.264,1044 4.472,1045 12.86,1046 16.66,1047 0.082,1048 25.859,1049 12.208,1050 2.42,1051 7.252,1052 23.077,1053 3.879,1054 13.982,1055 18.181,1056 0.079,1057 28.193,1058 13.294,1059 2.178,1060 6.645,1061 24.898,1062 3.092,1063 15.036,1064 19.616,1065 0.054,1066 30.488,1067 14.294,1068 2.055,1069 6.344,1070 26.726,1071 2.89,1072 16.145,1073 21.117,1074 0.048,1075 32.817,1076 15.363,1077 1.985,1078 5.793,1079 28.56,1080 2.76,1081 17.226,1082 22.579,1083 0.035,1084 35.131,1085 16.394,1086 12833,1087 21044,1088 21.671,1089 40.648,1090 47.519,1091 48.372,1092 49.581,1093 47.766,1094 47.425,1095 60.259,1096 3.715,1097 130.717,1098 43.815,1099 5.471,1100 5.275,1101 6.219,1102 5.116,1103 5.087,1104 7.472,1105 1.457,1106 17.302,1107 4.941,1108 17.121,1109 1.44,1110 1.466,1111 1.502,1112 1.447,1113 1.437,1114 1.826,1115 0.113,1116 3.961,1117 1.328,1118 4.058,1119 4.103,1120 4.103,1121 3.935,1122 5.129,1123 3.949,1124 3.907,1125 3.926,1126 4.007,1127 3.855,1128 5.01,1129 3.85,1130 3.802,1131 3.875,1132 3.663,1133 3.64,1134 4.631,1135 3.634,1136 3.635,1137 3.714,1138 3.598,1139 3.447,1140 4.59,1141 3.446,1142 3.425,1143 3.495,1144 3.498,1145 3.243,1146 4.341,1147 3.255,1148 3.306,1149 3.407,1150 3.338,1151 3.123,1152 4.275,1153 3.103,1154 3.295,1155 3.382,1156 3.203,1157 3.11,1158 4.131,1159 3.089,1160 3.187,1161 3.27,1162 3.04,1163 3.024,1164 4.048,1165 3.005,1166 0.137,1167 0.099,1168 0.198,1169 0.122,1170 0.094,1171 4.535,1172 0.136,1173 3.275,1174 0.024,1175 6.538,1176 0.314,1177 4.039,1178 0.089,1179 3.087,1180 4.472,1181 0.8,1182 10.351,1183 2.941,1184 1.971,1185 1.936,1186 2.042,1187 2.123,1188 1.339,1189 2.099,1190 1.886,1191 1.867,1192 2.004,1193 1.974,1194 1.167,1195 1.991,1196 1.775,1197 1.708,1198 1.951,1199 1.952,1200 1.124,1201 1.966,1202 1.62,1203 1.542,1204 1.888,1205 1.835,1206 1.059,1207 1.857,1208 1.374,1209 1.309,1210 1.725,1211 1.593,1212 0.869,1213 1.638,1214 1.351,1215 1.256,1216 1.646,1217 1.584,1218 0.85,1219 1.601,1220 1.289,1221 1.205,1222 1.534,1223 1.524,1224 0.662,1225 1.552,1226 1.166,1227 1.099,1228 1.369,1229 1.394,1230 0.438,1231 1.402,1232 4.205,1233 5.493,1235 6.974,1237 8.549,1239 10.176,1241 6.564,1242 12.327,1247 5.976,1248 6.823,1251 0.26,1252 2.438,1257 37.632,1258 93.017,1259 212.283,1260 288.126,1261 321.51,1262 321.51,1263 321.51,1264 55.869,1265 7.484,1266 65.97,1267 65.97,1268 18,1269 12.412,1270 4.17,1271 3.248,1272 58.17,1273 139,1274 150,1275 0.198,1276 243.226,1277 411.98,1278 585.233,1279 18887,1280 3.3,1281 22.217,1282 0.717,1283 0.64,1284 23.217,1285 19.841,1286 14.995,1287 0.454,1288 0.35,1289 10.736,1290 13.95,1291 10.34,1292 8.645,1293 15.572,1294 11.548,1295 12.993,1296 0.295,1297 0.191,1298 13.772,1299 8.418,1300 10.563,1301 0.192,1302 0.107,1303 11.178,1304 5.901,1305 8.525,1306 0.125,1307 0.058,1308 9.221,1309 3.934,1310 6.404,1311 0.077,1312 0.028,1313 6.762,1314 2.313,1315 0.316,1316 99.065,1317 0.215,1318 29.511,1319 0.531,1320 154,1321 407.653,1322 197.001,1323 461.882,1324 619.41,1325 432,1326 176,1327 416.599,1328 209.625,1329 442.189,1330 646.08,1331 417,1332 6.854}
{0 CHEMBL397845,1 1.487,2 15.973,3 4.82,4 23.236,5 149.338,6 7.024,7 0.415,8 4.377,9 4.495,10 4.02,11 3.965,12 5.308,13 3.898,14 4.987,15 5.171,16 4.346,17 4.395,18 6.021,19 4.303,20 5.306,21 5.529,22 4.454,23 4.594,24 6.22,25 4.457,26 5.427,27 5.656,28 4.43,29 4.577,30 6.434,31 4.446,32 5.419,33 5.665,34 4.358,35 4.531,36 6.513,37 4.389,38 5.369,39 5.629,40 4.302,41 4.519,42 6.26,43 4.361,44 5.363,45 5.616,46 4.241,47 4.502,48 6.283,49 4.352,50 5.312,51 5.562,52 4.115,53 4.454,54 6.209,55 4.292,56 0.103,57 1.078,58 19.956,59 7.668,60 15.254,61 10.114,62 0.476,63 1.851,64 34.568,65 12.832,66 56.09,67 17.534,68 0.424,69 2.405,70 52.95,71 19.049,72 53.458,73 24.905,74 0.661,75 2.51,76 60.961,77 20.113,78 98.136,79 26.098,80 0.935,81 2.427,82 57.435,83 19.351,84 162.186,85 25.869,86 0.516,87 2.409,88 57.351,89 19.582,90 79.688,91 26.121,92 0.601,93 2.346,94 55.915,95 19.02,96 87.297,97 25.236,98 0.496,99 2.216,100 51.666,101 18.209,102 79.64,103 24.703,104 17,105 58,106 0.229,107 0.487,108 0.674,109 0.81,110 0.848,111 0.856,112 3.642,113 1.091,114 -4.77,115 -4.68,116 -4.4,119 40.5,121 6,124 1,125 4,127 2,138 12,139 3,140 1,151 1,163 18,165 4,166 7,172 22,175 2,176 9,183 17,186 1,187 15,194 9,197 4,198 10,205 10,208 1,209 13,217 8,220 1,221 14,227 8,231 7,238 12,241 2,242 8,249 9,252 2872,253 25.1,254 25.1,255 25.1,256 25.1,257 25.1,258 22.737,259 27.095,260 14.784,261 25.499,262 20.209,263 20.209,264 20.209,265 20.209,266 20.209,267 16.582,268 35.788,269 6.986,270 20.849,271 4.723,272 3.051,273 1.839,274 0.954,275 0.713,276 0.659,277 4.345,283 1,284 1301,285 4.359,287 115.602,288 492.151,292 182.339,295 2.57,296 41.629,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 78.5,308 591,309 4.959,310 4.734,311 7.736,312 4.498,313 3.569,314 4.791,315 1.985,316 13.987,317 3.302,318 4.356,319 3.86,320 6.603,321 3.991,322 3.029,323 4.25,324 0.8,325 10.239,326 2.919,327 4.153,328 2.953,329 6.182,330 3.84,331 2.849,332 3.444,333 0.624,334 9.146,335 2.807,336 3.898,337 2.862,338 5.981,339 3.567,340 2.607,341 3.32,342 0.375,343 8.209,344 2.531,345 3.658,346 2.745,347 5.396,348 3.509,349 2.516,350 2.718,352 7.014,353 2.465,354 3.397,355 2.688,356 5.333,357 3.259,358 2.332,359 2.571,361 6.857,362 2.156,363 3.21,364 2.473,365 5.201,366 2.832,367 1.843,368 2.427,370 5.651,371 1.811,372 3.118,373 1.699,374 4.599,375 2.618,376 1.618,377 2.324,379 4.5,380 1.618,381 2.947,382 1.635,383 4.408,384 2.614,385 1.617,386 2.103,388 4.192,389 1.609,390 2.898,391 1.618,392 3.957,393 2.536,394 1.539,395 2.018,397 3.24,398 1.532,399 2.813,400 1.396,401 3.679,402 2.337,403 1.34,404 1.846,406 2.98,407 1.335,408 2.5,409 1.36,410 3.613,411 2.114,412 1.132,413 1.5,415 2.693,416 1.11,417 2.231,418 1.207,419 3.48,420 2,421 1,422 1.21,424 2.275,425 1,426 2.16,427 1.077,428 3.414,429 1.984,430 1,431 1.002,433 2.263,434 0.983,435 2,436 1.052,437 3.335,438 1.928,439 0.957,440 1,442 2.136,443 0.927,444 18.033,445 0.487,446 0.913,447 0.025,448 43.75,449 1.182,450 20.5,451 0.554,452 23.25,453 0.628,454 38.763,455 1.048,456 40.767,457 0.551,458 35.535,459 0.96,460 8.011,461 0.217,462 9.92,463 0.268,464 0.083,465 0.046,466 0.261,472 0.514,473 1.418,474 0.871,475 1.25,476 0.573,477 1.056,478 0.729,479 1.081,480 0.913,481 0.946,482 0.519,483 0.986,484 0.912,485 1.077,486 1.15,487 1.133,488 0.755,489 1.036,490 1.563,491 1.071,492 1.181,493 1.109,494 1.693,495 1.031,496 1.398,497 0.948,498 0.983,499 0.884,500 1.497,501 0.944,502 1.031,503 1.027,504 1.093,505 1.045,506 0.907,507 0.956,508 1.359,509 0.924,510 1.119,511 0.969,512 1.335,513 0.952,514 1.204,515 1.053,516 1.096,517 1.065,518 1.266,519 1.068,520 7,521 0.243,522 5.111,523 2.556,524 2.334,525 1.514,526 0.923,527 0.608,528 0.396,529 0.316,530 24110,531 52945,532 2.11,533 50,534 2,535 25,540 6,541 4,542 1.777,543 1.991,544 3.913,545 -0.805,550 110.033,551 1.487,552 3.159,553 4.37,554 5.255,555 5.497,556 5.551,557 3.419,558 4.831,559 5.173,560 4.106,561 2734.45,562 9.086,563 45994.6,568 459.5,569 1.444,570 5.144,571 0.171,572 0.007,573 0.088,574 0.042,575 0.041,576 0.029,577 0.018,578 0.012,579 0.009,580 0.009,581 0.425,582 0.17,583 0.75,584 0.488,585 206.732,586 0.131,587 -0.198,588 0.202,589 -0.076,590 -0.072,591 0.01,592 0.204,593 0.074,594 0.049,595 0.052,596 0.178,597 -0.001,598 0.02,599 0.002,600 -0.018,601 -0.051,602 0.05,603 -0.034,604 -0.11,605 -0.069,606 -0.068,607 -0.089,608 -0.131,609 -0.069,610 0.064,611 0.016,612 0.013,613 0.054,614 0.078,616 -0.002,617 -0.026,618 0.008,619 -0.019,620 0.054,621 0.025,622 -0.126,623 0.061,624 -0.067,625 0.018,626 -0.081,627 0.013,628 -0.113,629 -0.091,630 -0.119,631 -0.094,632 -0.112,633 -0.09,634 4.67,635 6.586,636 0.73,637 52.739,638 0.992,639 1.123,640 3.539,641 12.522,642 0.662,643 3.738,644 4.078,645 4.369,646 4.595,647 4.796,648 4.844,649 4.949,650 5.037,651 5.159,652 5.22,653 8.992,654 0.613,655 519.77,656 3.738,657 5.293,658 6.155,659 7.038,660 7.916,661 8.806,662 9.692,663 10.587,664 11.479,665 12.378,666 4.1,669 2,673 1,680 2,681 12,686 2,688 17,703 74,705 20,706 3,707 41,709 78,710 30,711 16,712 4,713 12,717 5,718 6,724 6,727 8,729 17,730 13,733 3,736 1,737 3,741 1,747 37,748 6,750 7,751 1,755 3,760 0.8,761 3,773 1,775 1,776 4,780 1,784 1,792 1,796 4,799 1,801 1,805 37,808 1,810 10,814 2,815 3,825 4.1,828 3,832 18.583,833 13.183,834 8.056,835 4.782,836 2.938,837 1.35,838 0.99,839 8.066,840 11.335,841 3.98,842 4.554,843 5.069,844 5.552,845 6.076,846 6.285,847 6.652,848 6.933,849 7.27,850 7.167,851 0.909,852 61,853 14.158,854 6.43,855 7.66,856 27.262,857 23.618,859 2.16,860 79.917,864 435.531,865 166.136,866 7.767,868 69.458,870 5.807,871 160.328,872 504.989,873 7.767,874 8.396,875 26.754,876 119.522,877 74.163,878 14.525,880 435.531,882 435.531,883 168.095,884 69.458,885 5.807,887 317.82,888 187.169,891 31.397,892 136.698,893 5.807,895 435.531,896 77.225,897 166.136,899 5.807,900 435.531,901 38.217,902 129.879,904 69.458,905 435.531,906 77.225,907 166.136,909 0.586,910 0.351,911 0.182,912 0.095,913 28,914 12,915 0.103,916 8,917 1,918 1.074,919 4.801,920 357.513,921 0.074,922 27,923 182.75,927 1,928 26.065,929 11.45,930 5.809,931 1.889,932 77.225,933 23.555,938 1.639,941 678.892,942 52.5,945 -3.753,946 40.735,950 -0.065,952 73.385,953 83.102,954 0.239,955 0.509,956 0.704,957 0.846,958 0.885,959 0.894,960 5.238,961 1.618,962 6.159,963 5.651,964 4.762,965 5.242,966 2.253,967 7.018,968 4.698,969 6.438,970 1.617,971 7.757,972 4.5,973 4.443,974 5.207,975 1.738,976 8.22,977 4.286,978 7.768,979 1.539,980 9.475,981 4.192,982 6.431,983 7.48,984 3.107,985 11.331,986 6.27,987 9.144,988 1.34,989 11.273,990 3.24,991 6.995,992 8.342,993 3.217,994 13.438,995 6.723,996 10.564,997 1.132,998 13.125,999 2.98,1000 8.463,1001 10.137,1002 4.292,1003 16.171,1004 8.174,1005 12.016,1006 1,1007 15.016,1008 2.693,1009 9.41,1010 11.384,1011 4.678,1012 18.61,1013 9.01,1014 13.494,1015 1,1016 16.937,1017 2.275,1018 10.706,1019 13.017,1020 5.58,1021 21.259,1022 10.263,1023 3.569,1024 0.957,1025 18.882,1026 2.263,1027 11.821,1028 14.431,1029 6.104,1030 23.82,1031 11.274,1032 3.029,1033 13.987,1034 20.845,1035 2.136,1036 13.067,1037 16.005,1038 6.909,1039 26.453,1040 12.458,1041 2.849,1042 10.239,1043 22.823,1044 4.791,1045 14.257,1046 17.494,1047 7.507,1048 29.059,1049 13.55,1050 2.607,1051 9.146,1052 24.814,1053 4.25,1054 15.497,1055 19.049,1056 8.258,1057 31.692,1058 14.714,1059 2.516,1060 8.209,1061 26.814,1062 3.444,1063 16.722,1064 20.571,1065 8.895,1066 34.317,1067 15.846,1068 2.332,1069 7.014,1070 28.823,1071 3.32,1072 17.967,1073 22.122,1074 9.617,1075 36.951,1076 17.008,1077 1.843,1078 6.857,1079 30.838,1080 2.718,1081 19.21,1082 23.661,1083 10.276,1084 39.583,1085 18.161,1086 22339,1087 33388,1088 27.622,1089 48.972,1090 61.783,1091 63.321,1092 63.051,1093 61.791,1094 61.66,1095 77.697,1096 7.57,1097 179.941,1098 59.913,1099 5.959,1100 6.734,1101 7.538,1102 5.572,1103 5.569,1104 7.791,1105 3.458,1106 22.436,1107 5.302,1108 15.782,1109 1.507,1110 1.544,1111 1.538,1112 1.507,1113 1.504,1114 1.895,1115 0.185,1116 4.389,1117 1.461,1118 4.169,1119 4.168,1120 4.747,1121 4.147,1122 7.715,1123 4.096,1124 3.962,1125 4.008,1126 3.969,1127 3.874,1128 7.427,1129 3.865,1130 3.927,1131 3.955,1132 3.863,1133 3.86,1134 6.999,1135 3.819,1136 3.853,1137 3.898,1138 3.787,1139 3.722,1140 4.886,1141 3.709,1142 3.654,1143 3.662,1144 3.627,1145 3.554,1146 4.752,1147 3.52,1148 3.528,1149 3.593,1150 3.384,1151 3.376,1152 4.375,1153 3.364,1154 3.361,1155 3.435,1156 3.247,1157 3.195,1158 4.281,1159 3.169,1160 3.28,1161 3.297,1162 3.2,1163 3.14,1164 4.205,1165 3.134,1166 0.121,1167 0.115,1168 0.189,1169 0.11,1170 0.087,1171 4.959,1172 0.117,1173 4.734,1174 0.048,1175 7.736,1176 0.341,1177 4.498,1178 0.081,1179 3.569,1180 4.791,1181 1.985,1182 13.987,1183 3.302,1184 2.092,1185 2.086,1186 2.148,1187 2.138,1188 1.434,1189 2.162,1190 1.93,1191 1.897,1192 2.085,1193 2.062,1194 1.324,1195 2.072,1196 1.85,1197 1.796,1198 2.031,1199 1.994,1200 1.271,1201 2.011,1202 1.719,1203 1.732,1204 1.861,1205 1.865,1206 1.215,1207 1.886,1208 1.615,1209 1.562,1210 1.791,1211 1.786,1212 1.069,1213 1.816,1214 1.525,1215 1.458,1216 1.7,1217 1.701,1218 0.992,1219 1.736,1220 1.418,1221 1.362,1222 1.63,1223 1.594,1224 0.825,1225 1.621,1226 1.266,1227 1.206,1228 1.55,1229 1.493,1230 0.773,1231 1.521,1232 4.419,1233 5.753,1234 2.398,1235 7.288,1236 4.595,1237 8.912,1238 6.629,1239 10.582,1241 1.858,1247 8.761,1251 -0.464,1252 5.763,1257 45.351,1258 110.033,1259 233.754,1260 323.386,1261 388.87,1262 406.745,1263 410.745,1264 87.843,1265 8.397,1266 60.93,1267 69.31,1268 29,1269 12.902,1270 4.392,1271 3.644,1272 57.104,1273 196,1274 230,1275 0.137,1276 278.73,1277 487.18,1278 671.86,1279 66766,1281 25.83,1282 0.698,1283 0.607,1284 26.08,1285 22.445,1286 17.931,1287 0.437,1288 0.364,1289 13.466,1290 16.691,1291 13.035,1292 10.752,1293 18.719,1294 14.909,1295 16.271,1296 0.281,1297 0.212,1298 17.571,1299 12.284,1300 14.206,1301 0.182,1302 0.128,1303 15.52,1304 9.956,1305 11.387,1306 0.116,1307 0.077,1308 12.624,1309 7.521,1310 8.94,1311 0.075,1312 0.045,1313 10.154,1314 5.393,1315 0.222,1316 118.798,1317 0.19,1318 34.367,1319 0.359,1320 198,1321 495.002,1322 251.653,1323 502.162,1324 686.98,1325 466,1326 235,1327 475.952,1328 299.415,1329 521.564,1330 765.43,1331 491,1332 6.208}
{0 CHEMBL397846,1 1.573,2 14.974,3 4.034,4 16.271,5 150.971,6 7.429,7 0.395,8 4.391,9 4.498,10 4.064,11 3.964,12 5.406,13 3.915,14 4.986,15 5.154,16 4.402,17 4.392,18 6.146,19 4.317,20 5.317,21 5.528,22 4.502,23 4.594,24 6.304,25 4.473,26 5.427,27 5.643,28 4.524,29 4.592,30 6.486,31 4.488,32 5.459,33 5.68,34 4.539,35 4.577,36 6.719,37 4.48,38 5.443,39 5.66,40 4.52,41 4.607,42 6.507,43 4.495,44 5.499,45 5.727,46 4.492,47 4.603,48 6.561,49 4.486,50 5.435,51 5.671,52 4.313,53 4.502,54 6.646,55 4.372,56 0.089,57 1.076,58 18.71,59 7.557,60 20.786,61 9.465,62 0.532,63 1.839,64 32.618,65 12.549,66 79.669,67 16.558,68 0.606,69 2.404,70 52.8,71 18.694,72 81.508,73 23.848,74 0.663,75 2.514,76 60.065,77 19.958,78 123.978,79 25.361,80 1.23,81 2.502,82 59.114,83 19.432,84 244.418,85 25.225,86 0.804,87 2.551,88 60.426,89 20.23,90 132.422,91 25.647,92 1.009,93 2.603,94 66.213,95 21.141,96 161.42,97 26.7,98 1.145,99 2.377,100 60.609,101 19.801,102 238.88,103 25.958,104 28,105 61,106 0.242,107 0.527,108 0.703,109 0.83,110 0.856,111 0.864,112 3.693,113 1.051,114 -4,115 -3.95,116 -3.75,119 40.5,121 5,125 5,127 2,138 12,139 3,140 1,151 2,160 1,162 1,163 17,165 4,166 7,167 1,169 1,172 21,175 3,176 9,179 1,183 15,186 1,187 16,188 1,194 7,195 2,197 5,198 12,199 1,201 1,203 2,205 9,206 1,208 2,209 13,210 1,212 1,214 1,217 10,218 1,220 2,221 14,222 2,224 1,226 1,227 8,230 2,231 8,234 2,238 10,239 3,241 2,242 11,247 3,249 7,250 3,252 3309,253 26.255,254 26.255,255 26.255,256 26.255,257 26.255,258 23.685,259 26.866,260 15.495,261 26.651,262 21.229,263 21.229,264 21.229,265 21.229,266 21.229,267 17.298,268 34.305,269 7.352,270 21.884,271 4.636,272 2.786,273 1.64,274 0.816,275 0.649,276 0.595,277 4.394,283 1,284 1278,285 4.69,287 122.968,288 520.389,292 192.471,295 2.437,296 58.448,299 0.75,300 0.83,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.75,307 84.5,308 584,309 4.959,310 4.734,311 7.737,312 4.499,313 3.57,314 4.791,315 2.378,316 13.99,317 3.304,318 4.357,319 3.895,320 6.671,321 4.027,322 3.069,323 4.25,324 1.983,325 10.608,326 2.939,327 4.192,328 3.584,329 6.195,330 3.848,331 2.856,332 3.446,333 0.8,334 9.183,335 2.824,336 3.904,337 2.963,338 6.025,339 3.591,340 2.626,341 3.357,342 0.651,343 8.381,344 2.548,345 3.678,346 2.869,347 5.438,348 3.496,349 2.514,350 2.779,351 0.387,352 7.187,353 2.453,354 3.521,355 2.768,356 5.309,357 3.301,358 2.353,359 2.618,361 6.727,362 2.222,363 3.345,364 2.641,365 5.187,366 3.057,367 2.069,368 2.569,370 5.653,371 2.01,372 3.198,373 2.464,374 4.749,375 2.823,376 1.833,377 2.427,379 5.201,380 1.803,381 3.118,382 1.699,383 4.524,384 2.618,385 1.618,386 2.297,388 4.455,389 1.618,390 2.938,391 1.618,392 4.399,393 2.601,394 1.603,395 2.08,397 4.155,398 1.596,399 2.878,400 1.604,401 3.96,402 2.487,403 1.49,404 2.009,406 3.155,407 1.484,408 2.809,409 1.466,410 3.64,411 2.336,412 1.339,413 1.835,415 2.981,416 1.334,417 2.5,418 1.396,419 3.614,420 2.011,421 1.044,422 1.5,424 2.708,425 1.005,426 2.16,427 1.208,428 3.49,429 2,430 1,431 1.077,433 2.275,434 1,435 2.108,436 1.077,437 3.414,438 1.984,439 1,440 1.002,442 2.136,443 0.983,444 18.7,445 0.479,446 1.019,447 0.026,448 46.75,449 1.199,450 22,451 0.564,452 24.75,453 0.635,454 40.793,455 1.046,456 43.1,457 0.582,458 41.446,459 1.063,460 8.846,461 0.227,462 9.979,463 0.256,464 0.089,465 0.045,466 0.278,472 0.59,473 1.394,474 0.834,475 1.227,476 0.612,477 1.018,478 0.592,479 1.132,480 0.883,481 0.979,482 0.45,483 1.009,484 0.845,485 1.039,486 1.158,487 1.104,488 0.767,489 1.034,490 1.201,491 1.103,492 1.122,493 1.13,494 1.275,495 1.028,496 1.194,497 0.948,498 0.942,499 0.87,500 1.24,501 0.915,502 1.207,503 1.062,504 1.148,505 1.07,506 1.188,507 1.018,508 1.346,509 0.95,510 1.162,511 1.035,512 1.396,513 0.995,514 1.12,515 0.999,516 1.084,517 1.022,518 1.152,519 1.016,520 8,521 0.317,522 5.111,523 2.556,524 2.814,525 1.709,526 1.073,527 0.95,528 0.495,529 0.334,530 25348,531 63834,532 2.088,533 47.3,535 24,538 1,540 6,541 4,542 1.795,543 1.958,544 3.805,545 -0.383,550 116.403,551 1.573,552 3.424,553 4.569,554 5.394,555 5.561,556 5.615,557 3.352,558 4.926,559 5.25,560 4.011,561 2971.91,562 9.271,563 50230.7,568 459.5,569 1.496,570 5.213,571 0.186,572 0.007,573 0.084,574 0.04,575 0.044,576 0.026,577 0.017,578 0.016,579 0.01,580 0.007,581 0.437,582 0.33,583 0.75,584 0.787,585 218.511,586 0.052,587 -0.179,588 0.176,589 -0.057,590 -0.068,591 0.019,592 0.203,593 0.031,594 0.036,595 0.023,596 0.195,597 -0.034,598 0.01,599 0.046,600 -0.049,601 -0.024,602 0.001,603 -0.036,604 -0.087,605 -0.093,606 -0.037,607 -0.098,608 -0.103,609 -0.05,610 0.097,611 0.027,612 0.047,613 0.067,614 0.119,615 0.03,616 -0.065,617 -0.046,618 -0.062,619 -0.047,620 -0.07,621 -0.047,622 -0.105,623 0.031,624 -0.069,625 -0.029,626 -0.14,627 -0.031,628 0.072,629 -0.066,630 -0.065,631 -0.051,632 0.107,633 -0.044,634 4.846,635 6.816,636 0.692,637 52.493,638 1.002,639 1.123,640 2.772,641 7.684,642 0.664,643 3.784,644 4.127,645 4.407,646 4.663,647 4.89,648 4.942,649 5.075,650 5.204,651 5.293,652 5.323,653 8.508,654 0.625,655 549.75,656 3.784,657 5.342,658 6.201,659 7.089,660 7.969,661 8.863,662 9.753,663 10.652,664 11.548,665 12.451,666 4.1,669 2,673 1,680 2,681 12,686 2,688 17,703 74,705 21,706 3,707 43,709 78,710 30,711 16,712 4,713 12,717 5,718 6,724 6,727 7,729 18,730 12,733 4,736 1,737 4,741 2,747 35,748 8,749 1,750 9,751 1,755 3,760 0.8,761 5,773 1,775 1,776 4,780 1,784 1,785 1,792 1,794 1,796 4,799 1,805 39,808 1,809 1,810 10,814 2,815 3,825 6.8,827 1,828 4,832 19.917,833 12.8,834 8.472,835 4.649,836 2.921,837 1.346,838 0.973,839 8.558,840 11.357,841 4.034,842 4.605,843 5.094,844 5.59,845 6.121,846 6.321,847 6.691,848 6.984,849 7.31,850 7.212,851 1,852 64,853 15.003,854 6.951,855 7.874,856 28.116,857 24.27,859 2.374,860 92.583,864 400.217,865 158.22,866 7.767,868 137.286,870 5.807,871 152.413,872 537.504,873 7.767,875 26.325,876 119.522,877 142.901,878 14.525,880 400.217,882 400.217,883 160.18,884 137.286,885 5.807,887 282.506,888 254.997,891 30.968,892 129.212,893 5.807,895 400.217,896 145.053,897 158.22,899 5.807,900 400.217,901 38.698,902 121.482,904 137.286,905 400.217,906 145.053,907 158.22,909 0.585,910 0.341,911 0.184,912 0.103,913 29,914 13,915 0.115,916 9,917 1,918 1.074,919 4.819,920 392.432,921 0.074,922 27,923 196.131,927 1,928 27.638,929 12.077,930 6.296,931 1.75,932 145.053,933 22.827,938 1.425,940 42.683,941 703.491,942 55.5,945 -3.929,946 52.956,950 -1.487,952 74.156,953 83.105,954 0.253,955 0.551,956 0.736,957 0.869,958 0.896,959 0.904,960 5.295,961 1.833,962 6.209,963 5.653,964 4.812,965 5.293,966 2.924,967 7.069,968 4.749,969 6.499,970 1.618,971 7.804,972 5.201,973 4.511,974 5.27,975 2.647,976 8.264,977 4.362,978 7.828,979 1.603,980 9.519,981 4.455,982 6.479,983 7.517,984 4.126,985 11.376,986 6.319,987 9.201,988 1.49,989 11.313,990 4.155,991 7.04,992 8.373,993 4.489,994 13.476,995 6.774,996 10.616,997 1.339,998 13.161,999 3.155,1000 8.503,1001 10.157,1002 5.606,1003 16.208,1004 8.215,1005 12.062,1006 1.044,1007 15.049,1008 2.981,1009 9.445,1010 11.398,1011 6.229,1012 18.642,1013 9.049,1014 13.534,1015 1,1016 16.967,1017 2.708,1018 10.739,1019 13.026,1020 7.194,1021 21.287,1022 10.298,1023 3.57,1024 1,1025 18.909,1026 2.275,1027 11.851,1028 14.437,1029 7.937,1030 23.844,1031 11.308,1032 3.069,1033 13.99,1034 20.87,1035 2.136,1036 13.096,1037 16.01,1038 8.838,1039 26.474,1040 12.489,1041 2.856,1042 10.608,1043 22.847,1044 4.791,1045 14.284,1046 17.497,1047 9.638,1048 29.077,1049 13.581,1050 2.626,1051 9.183,1052 24.836,1053 4.25,1054 15.522,1055 19.051,1056 10.513,1057 31.707,1058 14.743,1059 2.514,1060 8.381,1061 26.834,1062 3.446,1063 16.746,1064 20.573,1065 11.343,1066 34.329,1067 15.875,1068 2.353,1069 7.187,1070 28.841,1071 3.357,1072 17.989,1073 22.123,1074 12.208,1075 36.962,1076 17.036,1077 2.069,1078 6.727,1079 30.855,1080 2.779,1081 19.231,1082 23.662,1083 13.053,1084 39.592,1085 18.188,1086 23698,1087 37870,1088 28.72,1089 49.12,1090 65.167,1091 67.146,1092 66.333,1093 65.154,1094 65.022,1095 82.177,1096 12.399,1097 189.92,1098 63.211,1099 5.959,1100 6.734,1101 7.539,1102 5.573,1103 5.57,1104 7.791,1105 3.993,1106 22.442,1107 5.304,1108 18.468,1109 1.516,1110 1.562,1111 1.543,1112 1.515,1113 1.512,1114 1.911,1115 0.288,1116 4.417,1117 1.47,1118 4.169,1119 4.168,1120 4.747,1121 4.147,1122 7.715,1123 4.096,1124 3.968,1125 4.012,1126 3.969,1127 3.874,1128 7.475,1129 3.866,1130 3.927,1131 3.954,1132 3.873,1133 3.859,1134 7.426,1135 3.819,1136 3.844,1137 3.885,1138 3.789,1139 3.718,1140 6.999,1141 3.705,1142 3.658,1143 3.667,1144 3.621,1145 3.553,1146 6.351,1147 3.52,1148 3.555,1149 3.594,1150 3.466,1151 3.335,1152 4.886,1153 3.357,1154 3.36,1155 3.415,1156 3.248,1157 3.194,1158 4.752,1159 3.186,1160 3.283,1161 3.297,1162 3.224,1163 3.188,1164 4.349,1165 3.149,1166 0.115,1167 0.11,1168 0.18,1169 0.105,1170 0.083,1171 4.959,1172 0.111,1173 4.734,1174 0.055,1175 7.737,1176 0.325,1177 4.499,1178 0.077,1179 3.57,1180 4.791,1181 2.378,1182 13.99,1183 3.304,1184 2.092,1185 2.086,1186 2.148,1187 2.139,1188 1.434,1189 2.162,1190 1.93,1191 1.896,1192 2.082,1193 2.067,1194 1.324,1195 2.074,1196 1.843,1197 1.794,1198 2.016,1199 1.984,1200 1.227,1201 1.997,1202 1.717,1203 1.73,1204 1.858,1205 1.862,1206 1.204,1207 1.884,1208 1.612,1209 1.561,1210 1.729,1211 1.788,1212 1.07,1213 1.814,1214 1.484,1215 1.428,1216 1.662,1217 1.703,1218 0.908,1219 1.708,1220 1.38,1221 1.327,1222 1.615,1223 1.557,1224 0.825,1225 1.579,1226 1.334,1227 1.286,1228 1.551,1229 1.546,1230 0.802,1231 1.556,1232 4.466,1233 5.802,1234 2.398,1235 7.335,1236 4.595,1237 8.957,1238 6.629,1239 10.628,1246 9.637,1247 5.472,1251 -1.121,1252 5.054,1257 46.254,1258 116.403,1259 253.353,1260 338.115,1261 399.135,1262 411.5,1263 415.5,1264 109.85,1265 8.435,1266 98.23,1267 106.61,1268 29,1269 12.973,1270 4.459,1271 3.755,1272 61.457,1273 193,1274 237,1275 0.149,1276 283.795,1277 502.12,1278 684.219,1279 66130,1281 27.407,1282 0.703,1283 0.585,1284 27.657,1285 22.801,1286 18.825,1287 0.438,1288 0.35,1289 13.591,1290 17.448,1291 13.225,1292 10.85,1293 19.613,1294 15.06,1295 17.352,1296 0.284,1297 0.202,1298 18.652,1299 12.342,1300 14.416,1301 0.178,1302 0.122,1303 15.73,1304 9.867,1305 11.944,1306 0.114,1307 0.072,1308 13.181,1309 7.535,1310 9.792,1311 0.074,1312 0.042,1313 10.999,1314 5.519,1315 0.237,1316 125.231,1317 0.187,1318 35.354,1319 0.403,1320 208,1321 590.888,1322 266.414,1323 587.314,1324 786.76,1325 542,1326 246,1327 535.971,1328 313.683,1329 577.865,1330 846.98,1331 544,1332 5}
{0 CHEMBL397848,1 1.662,2 15.625,3 4.633,4 21.465,5 156.3,6 7.894,7 0.386,8 4.395,9 4.497,10 4.112,11 3.98,12 5.427,13 3.931,14 4.99,15 5.155,16 4.477,17 4.417,18 6.169,19 4.345,20 5.31,21 5.508,22 4.623,23 4.636,24 6.34,25 4.525,26 5.452,27 5.652,28 4.628,29 4.637,30 6.587,31 4.535,32 5.476,33 5.703,34 4.487,35 4.574,36 6.664,37 4.456,38 5.387,39 5.627,40 4.464,41 4.556,42 6.363,43 4.415,44 5.394,45 5.627,46 4.454,47 4.553,48 6.439,49 4.425,50 5.373,51 5.609,52 4.266,53 4.484,54 6.372,55 4.342,56 0.108,57 1.065,58 17.465,59 7.495,60 22.523,61 9.169,62 0.582,63 1.82,64 31.785,65 12.591,66 80.603,67 16.234,68 0.515,69 2.374,70 52.85,71 19.144,72 73.155,73 23.71,74 0.828,75 2.52,76 63.608,77 20.969,78 147.496,79 25.433,80 1.288,81 2.495,82 63.968,83 20.373,84 226.192,85 25.648,86 0.847,87 2.424,88 62.025,89 20.105,90 118.364,91 25.539,92 0.902,93 2.387,94 60.241,95 19.971,96 140.077,97 25.5,98 0.781,99 2.264,100 56.827,101 19.408,102 145.557,103 24.96,104 51,105 64,106 0.256,107 0.555,108 0.746,109 0.865,110 0.879,111 0.879,112 3.717,113 1.056,114 -4.73,115 -4.64,116 -4.36,119 40.5,121 5,124 1,125 4,127 2,138 10,139 4,140 2,151 2,160 1,162 1,163 15,164 1,165 4,166 8,169 1,171 1,172 20,173 2,175 2,176 11,181 2,183 15,184 3,186 1,187 19,192 3,194 10,195 1,197 4,198 11,199 1,203 1,205 9,208 2,209 9,212 1,217 10,220 1,221 16,227 8,228 2,231 10,236 2,238 8,241 2,242 6,243 1,249 9,252 3404,253 26.6,254 26.6,255 26.6,256 26.6,257 26.6,258 24.047,259 29.142,260 15.274,261 27.115,262 21.621,263 21.621,264 21.621,265 21.621,266 21.621,267 17.63,268 36.142,269 7.122,270 22.498,271 4.548,272 2.601,273 1.361,274 0.588,275 0.497,276 0.497,277 4.415,279 1,283 1,284 1359,285 4.69,287 124.315,288 526.681,292 197.406,295 2.675,296 60.595,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 86.833,308 625,309 4.96,310 4.734,311 7.737,312 4.499,313 3.57,314 4.797,315 1.985,316 13.988,317 3.303,318 4.468,319 3.86,320 6.607,321 4.016,322 3.05,323 4.374,324 1.437,325 10.275,326 2.957,327 4.317,328 3.611,329 6.457,330 3.962,331 2.968,332 3.928,333 0.8,334 9.936,335 2.941,336 4.158,337 3.205,338 6.404,339 3.922,340 2.956,341 3.323,342 0.624,343 9.741,344 2.829,345 3.669,346 2.958,347 6.008,348 3.558,349 2.606,350 2.91,351 0.375,352 8.261,353 2.476,354 3.498,355 2.799,356 5.406,357 3.278,358 2.351,359 2.669,361 6.931,362 2.175,363 3.393,364 2.678,365 5.249,366 2.989,367 2.029,368 2.593,370 6.08,371 1.955,372 3.308,373 2.476,374 4.995,375 2.938,376 1.962,377 2.497,379 5.323,380 1.85,381 3.16,382 2.318,383 4.89,384 2.748,385 1.771,386 2.335,388 5.199,389 1.7,390 2.961,391 1.665,392 4.553,393 2.61,394 1.612,395 2.107,397 4.222,398 1.606,399 2.9,400 1.64,401 4.108,402 2.485,403 1.488,404 2.051,406 3.631,407 1.482,408 2.824,409 1.5,410 3.943,411 2.381,412 1.393,413 1.836,415 3.217,416 1.366,417 2.532,418 1.329,419 3.75,420 2.011,421 1.046,422 1.476,424 2.657,425 1.006,426 2.368,427 1.305,428 3.483,429 2.005,430 1,431 1.307,433 2.305,434 0.994,435 2.072,436 1.206,437 3.466,438 1.984,439 1,440 1.061,442 2.275,443 0.983,444 19.414,445 0.485,446 1.181,447 0.03,448 47.5,449 1.188,450 22,451 0.55,452 25.5,453 0.638,454 43.294,455 1.082,456 44.186,457 0.597,458 42.157,459 1.054,460 8.904,461 0.223,462 10.259,463 0.256,464 0.148,465 0.043,466 0.319,472 0.582,473 1.394,474 0.73,475 1.169,476 0.611,477 0.983,478 0.59,479 1.054,480 0.754,481 0.872,482 0.442,483 0.916,484 0.804,485 1.079,486 1.028,487 1.101,488 0.679,489 1.008,490 1.278,491 1.142,492 1.104,493 1.145,494 1.354,495 1.067,496 1.288,497 0.937,498 0.977,499 0.871,500 1.341,501 0.954,502 0.871,503 0.998,504 0.874,505 0.972,506 0.869,507 0.958,508 0.893,509 0.976,510 0.926,511 1.029,512 0.934,513 1,514 1.105,515 1.072,516 0.941,517 1.027,518 1.197,519 1.064,520 8.5,521 0.305,522 6.444,523 3.556,524 2.916,525 1.813,526 1.047,527 0.766,528 0.502,529 0.4,530 28539,531 81913,532 2.056,533 45.9,535 23,538 1,540 6,541 4,542 1.796,543 1.897,544 3.898,545 -0.367,550 122.955,551 1.662,552 3.608,553 4.848,554 5.621,555 5.713,556 5.713,557 3.385,558 4.972,559 5.291,560 4.139,561 3228.57,562 9.318,563 57420.5,568 459.5,569 1.61,570 5.234,571 0.193,572 0.008,573 0.101,574 0.051,575 0.044,576 0.031,577 0.018,578 0.013,579 0.01,580 0.01,581 0.479,582 0.17,583 0.75,584 0.706,585 228.379,586 0.04,587 -0.18,588 0.131,589 -0.058,590 -0.07,591 0.016,592 0.178,593 0.11,594 0.065,595 0.096,596 0.2,597 0.038,598 -0.017,599 0.012,600 -0.01,601 -0.029,602 0.041,603 -0.009,604 -0.131,605 -0.132,606 -0.079,607 -0.123,608 -0.118,609 -0.098,610 -0.069,611 0.028,612 -0.047,613 0.057,614 -0.035,615 -0.006,616 0.001,617 0.019,618 0.05,619 0.035,620 -0.008,621 0.03,622 0.023,623 0.016,624 0.007,625 -0.043,626 0.011,627 -0.012,628 -0.118,629 -0.127,630 -0.071,631 -0.074,632 -0.134,633 -0.08,634 4.778,635 6.654,636 0.675,637 55.965,638 1.006,639 1.122,640 3.498,641 12.237,642 0.675,643 3.807,644 4.174,645 4.477,646 4.71,647 4.898,648 4.97,649 5.088,650 5.153,651 5.303,652 5.38,653 9.313,654 0.636,655 584.19,656 3.807,657 5.38,658 6.252,659 7.148,660 8.034,661 8.933,662 9.825,663 10.726,664 11.623,665 12.526,666 4.1,669 2,673 1,680 2,681 10,686 4,688 17,694 1,702 1,703 74,705 21,706 3,707 44,709 78,710 30,711 16,712 6,713 10,714 1,717 5,718 6,719 1,724 6,727 7,729 18,730 12,733 4,736 1,737 4,741 2,747 34,748 8,749 1,750 10,751 2,755 3,760 0.8,761 5,773 1,775 1,776 4,780 1,784 1,792 1,794 1,796 4,799 1,801 1,802 1,805 40,808 1,809 1,810 9,814 2,815 3,824 1,825 6.8,827 1,828 4,832 21.083,833 13.276,834 8.639,835 4.625,836 3.269,837 1.377,838 0.972,839 8.719,840 11.944,841 4.052,842 4.654,843 5.192,844 5.692,845 6.2,846 6.462,847 6.846,848 7.059,849 7.421,850 7.372,851 1,852 70,853 15.301,854 7.067,855 7.913,856 28.635,857 24.743,859 2.413,860 96.528,864 388.446,865 152.245,866 7.767,867 39.149,868 137.286,870 5.807,871 146.437,872 564.881,873 7.767,874 8.396,875 24.22,876 100.57,877 142.901,878 21.211,880 388.446,881 39.149,882 388.446,883 154.204,884 137.286,885 44.956,887 270.735,888 254.997,891 28.863,892 125.342,893 44.956,895 388.446,896 145.053,897 191.393,899 5.807,900 388.446,901 43.278,902 110.926,904 176.435,905 388.446,906 145.053,907 191.393,909 0.596,910 0.361,911 0.188,912 0.095,913 31,914 15,915 0.103,916 8,917 1,918 1.074,919 4.879,920 402.888,921 0.074,922 27,923 204.877,927 1,928 28.877,929 12.077,930 6.038,931 1.528,932 145.053,933 17.392,938 1.892,940 42.683,941 724.893,942 56.5,945 -3.861,946 52.42,950 -1.068,952 74.48,953 83.049,954 0.268,955 0.581,956 0.781,957 0.905,958 0.92,959 0.92,960 5.329,961 1.962,962 6.279,963 6.08,964 4.86,965 5.342,966 2.613,967 7.163,968 4.781,969 6.553,970 1.771,971 7.898,972 5.323,973 4.635,974 5.4,975 1.738,976 8.382,977 4.464,978 7.899,979 1.612,980 9.632,981 5.199,982 6.558,983 7.611,984 3.43,985 11.489,986 6.386,987 9.287,988 1.488,989 11.437,990 4.222,991 7.171,992 8.524,993 3.217,994 13.571,995 6.9,996 10.716,997 1.393,998 13.291,999 3.631,1000 8.607,1001 10.285,1002 4.507,1003 16.291,1004 8.32,1005 12.174,1006 1.046,1007 15.179,1008 3.217,1009 9.572,1010 11.555,1011 4.678,1012 18.702,1013 9.19,1014 13.654,1015 1,1016 17.093,1017 2.657,1018 10.85,1019 13.168,1020 5.708,1021 21.334,1022 10.429,1023 3.57,1024 1,1025 19.028,1026 2.305,1027 11.965,1028 14.59,1029 6.104,1030 23.876,1031 11.455,1032 3.05,1033 13.988,1034 20.98,1035 2.275,1036 13.198,1037 16.153,1038 6.981,1039 26.496,1040 12.63,1041 2.968,1042 10.275,1043 22.946,1044 4.797,1045 14.38,1046 17.641,1047 7.507,1048 29.091,1049 13.726,1050 2.956,1051 9.936,1052 24.924,1053 4.374,1054 15.608,1055 19.188,1056 8.297,1057 31.716,1058 14.882,1059 2.606,1060 9.741,1061 26.913,1062 3.928,1063 16.823,1064 20.706,1065 8.895,1066 34.334,1067 16.011,1068 2.351,1069 8.261,1070 28.91,1071 3.323,1072 18.058,1073 22.251,1074 9.638,1075 36.964,1076 17.165,1077 2.029,1078 6.931,1079 30.914,1080 2.91,1081 19.291,1082 23.785,1083 10.276,1084 39.593,1085 18.311,1086 26799,1087 45637,1088 28.838,1089 49.978,1090 67.218,1091 69.831,1092 69.654,1093 67.401,1094 67.078,1095 84.581,1096 10.444,1097 201.254,1098 64.471,1099 5.96,1100 6.734,1101 7.42,1102 5.576,1103 5.57,1104 7.797,1105 3.458,1106 22.438,1107 5.303,1108 23.024,1109 1.528,1110 1.587,1111 1.583,1112 1.532,1113 1.525,1114 1.922,1115 0.237,1116 4.574,1117 1.465,1118 4.171,1119 4.168,1120 4.747,1121 4.151,1122 7.715,1123 4.101,1124 3.978,1125 4.016,1126 4.084,1127 3.898,1128 7.475,1129 3.896,1130 3.941,1131 3.962,1132 3.91,1133 3.869,1134 7.426,1135 3.824,1136 3.848,1137 3.891,1138 3.79,1139 3.715,1140 6.999,1141 3.703,1142 3.652,1143 3.653,1144 3.628,1145 3.555,1146 6.351,1147 3.522,1148 3.477,1149 3.55,1150 3.466,1151 3.28,1152 4.998,1153 3.283,1154 3.293,1155 3.359,1156 3.342,1157 3.193,1158 4.699,1159 3.151,1160 3.28,1161 3.297,1162 3.226,1163 3.101,1164 4.508,1165 3.099,1166 0.113,1167 0.108,1168 0.176,1169 0.102,1170 0.081,1171 4.96,1172 0.109,1173 4.734,1174 0.045,1175 7.737,1176 0.318,1177 4.499,1178 0.075,1179 3.57,1180 4.797,1181 1.985,1182 13.988,1183 3.303,1184 2.09,1185 2.087,1186 2.123,1187 2.13,1188 1.431,1189 2.154,1190 1.943,1191 1.917,1192 2.079,1193 2.068,1194 1.326,1195 2.074,1196 1.842,1197 1.791,1198 2.013,1199 1.994,1200 1.234,1201 2.001,1202 1.715,1203 1.731,1204 1.858,1205 1.856,1206 1.211,1207 1.878,1208 1.609,1209 1.555,1210 1.73,1211 1.78,1212 1.068,1213 1.811,1214 1.458,1215 1.394,1216 1.656,1217 1.659,1218 0.906,1219 1.683,1220 1.379,1221 1.32,1222 1.608,1223 1.545,1224 0.825,1225 1.572,1226 1.24,1227 1.183,1228 1.545,1229 1.468,1230 0.759,1231 1.503,1232 4.489,1233 5.844,1234 2.398,1235 7.397,1236 4.595,1237 9.038,1238 6.629,1239 10.724,1241 1.785,1242 6.262,1246 9.429,1247 6.02,1251 -0.682,1252 5.411,1257 47.082,1258 122.955,1259 267.019,1260 358.77,1261 415.99,1262 422.745,1263 422.745,1264 114.977,1265 8.676,1266 98.23,1267 106.61,1268 29,1269 13.047,1270 4.459,1271 3.755,1272 64.261,1273 223,1274 204,1275 0.137,1276 292.128,1277 517.33,1278 704.551,1279 93708,1280 1.4,1281 28.441,1282 0.711,1283 0.602,1284 29.191,1285 24.073,1286 19.163,1287 0.436,1288 0.352,1289 13.667,1290 17.489,1291 13.221,1292 10.845,1293 20.24,1294 15.487,1295 17.894,1296 0.28,1297 0.202,1298 19.565,1299 12.929,1300 15.493,1301 0.178,1302 0.121,1303 17.166,1304 10.525,1305 12.549,1306 0.114,1307 0.072,1308 14.108,1309 7.895,1310 9.647,1311 0.073,1312 0.042,1313 11.046,1314 5.561,1315 0.221,1316 130.52,1317 0.186,1318 36.369,1319 0.359,1320 216,1321 629.091,1322 289.601,1323 653.969,1324 867.58,1325 602,1326 259,1327 573.481,1328 338.448,1329 627.006,1330 923.34,1331 589,1332 6.276}
{0 CHEMBL40238,1 1.72,2 14.405,3 3.562,4 12.687,5 147.127,6 7.831,7 0.15,8 4.371,9 4.492,10 4.001,11 3.906,12 5.343,13 3.852,14 4.996,15 5.179,16 4.407,17 4.35,18 5.95,19 4.25,20 5.312,21 5.544,22 4.489,23 4.517,24 6.233,25 4.374,26 5.331,27 5.575,28 4.59,29 4.496,30 6.296,31 4.34,32 5.259,33 5.495,34 4.474,35 4.401,36 6.414,37 4.287,38 5.225,39 5.443,40 4.491,41 4.404,42 6.321,43 4.283,44 5.223,45 5.44,46 4.473,47 4.385,48 6.354,49 4.275,50 5.165,51 5.356,52 4.453,53 4.349,54 6.429,55 4.243,56 0.059,57 1.054,58 15.826,59 7.215,60 7.403,61 9.421,62 0.481,63 1.763,64 36.943,65 12.856,66 39.457,67 16.969,68 0.835,69 2.126,70 58.077,71 17.931,72 81.855,73 23.412,74 0.852,75 2.097,76 70.088,77 18.805,78 88.465,79 24.199,80 0.99,81 1.945,82 55.163,83 16.594,84 140.8,85 21.752,86 0.85,87 1.862,88 58.306,89 16.408,90 104.038,91 20.742,92 0.913,93 1.868,94 57.18,95 16.101,96 105.7,97 20.042,98 1.05,99 1.761,100 55.232,101 15.443,102 149.949,103 18.983,104 26,105 54,106 0.27,107 0.53,108 0.751,109 0.85,110 0.862,111 0.862,112 3.642,113 1.116,114 -3.79,115 -3.75,116 -3.56,119 35.6,121 7,125 7,127 2,128 1,138 3,139 1,140 2,151 3,163 6,165 1,166 4,169 2,171 4,172 13,175 2,176 4,179 1,181 2,183 6,187 8,190 1,192 2,194 9,197 3,198 7,201 3,203 2,205 3,208 1,209 8,214 3,217 7,220 1,221 9,224 1,226 4,227 4,230 1,231 8,234 2,235 1,236 3,238 6,241 2,242 5,247 1,249 7,252 3284,253 24.913,254 24.913,255 24.913,256 24.913,257 24.913,258 23.694,259 30.45,260 15.093,261 25.729,262 19.782,263 19.782,264 19.782,265 19.782,266 19.782,267 17.804,268 35.809,269 7.266,270 21.173,271 4.47,272 2.823,273 1.415,274 0.788,275 0.712,276 0.712,277 4.335,279 2,283 1,284 1138,285 4.183,287 118.976,288 431.381,295 2.222,296 51.203,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 80.667,308 533,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.11,319 3.672,320 6.205,321 3.747,322 2.8,323 3.388,324 1.963,325 9.04,326 2.64,327 3.767,328 3.616,329 5.562,330 3.588,331 2.617,332 2.918,333 1.907,334 7.496,335 2.525,336 3.622,337 3.52,338 5.402,339 3.443,340 2.524,341 2.812,342 1.859,343 6.967,344 2.351,345 3.517,346 3.259,347 5.34,348 3.358,349 2.373,350 2.753,351 0.901,352 6.876,353 2.295,354 3.507,355 3.003,356 5.128,357 3.172,358 2.228,359 2.519,360 0.86,361 6.215,362 2.132,363 3.306,364 2.885,365 4.917,366 3.031,367 2.07,368 2.338,369 0.8,370 5.629,371 1.874,372 2.976,373 2.65,374 4.746,375 2.648,376 1.738,377 2.085,378 0.215,379 4.899,380 1.554,381 2.735,382 2.535,383 4.554,384 2.519,385 1.614,386 1.746,387 0.149,388 4.375,389 1.452,390 2.611,391 2.176,392 3.998,393 2.438,394 1.533,395 1.605,397 3.309,398 1.365,399 2.562,400 1.819,401 3.715,402 2.349,403 1.379,404 1.518,406 3.126,407 1.261,408 2.42,409 1.68,410 3.58,411 2.175,412 1.254,413 1.406,415 2.991,416 1.135,417 2.31,418 1.678,419 3.463,420 2.109,421 1.173,422 1.293,424 2.698,425 1.055,426 2,427 1.519,428 3.247,429 2,430 1,431 1,433 2.136,434 1,435 2,436 1.256,437 3.247,438 1.952,439 1,440 1,442 2.136,443 0.946,444 18.195,445 0.492,446 0.856,447 0.023,448 34.75,449 0.939,450 10.5,451 0.284,452 24.25,453 0.655,454 47.072,455 1.272,456 43.005,457 0.589,458 27.327,459 0.739,460 6.006,461 0.162,462 11.896,463 0.322,464 0.133,466 0.291,472 0.686,473 1.487,474 0.658,475 1.055,476 0.503,477 1.03,478 0.822,479 1.252,480 0.844,481 1.038,482 0.533,483 1.033,484 0.993,485 0.979,486 0.933,487 0.941,488 0.962,489 0.973,490 0.91,491 1.021,492 0.855,493 0.99,494 1.065,495 0.939,496 0.887,497 0.975,498 0.75,499 0.897,500 1.088,501 0.837,502 1.178,503 1.048,504 0.938,505 0.98,506 1.409,507 0.962,508 1.285,509 0.989,510 1.044,511 1.007,512 1.517,513 0.905,514 1.26,515 1.133,516 1.197,517 1.191,518 1.574,519 1.075,520 7,521 0.251,522 3.333,523 2.826,524 1.971,525 1.477,526 0.928,527 0.778,528 0.431,529 0.397,530 21947,531 59011,532 2.054,533 49.3,534 6,535 19,536 1,538 2,539 2,540 4,541 2,542 1.785,543 1.93,544 3.77,545 0.216,550 125.528,551 1.72,552 3.366,553 4.775,554 5.402,555 5.477,556 5.477,557 3.247,558 4.682,559 5.172,560 3.979,561 2649.73,562 9.131,563 44725.1,568 451.857,569 1.374,570 5.143,571 0.175,572 0.005,573 0.062,574 0.052,575 0.038,576 0.027,577 0.018,578 0.015,579 0.008,580 0.009,581 0.409,582 0.33,583 0.88,584 0.531,585 205.445,586 -0.035,587 -0.177,588 0.036,589 -0.022,590 0.008,591 0.002,592 0.001,593 -0.051,594 -0.004,595 -0.006,596 0.047,597 -0.042,598 -0.063,599 0.069,600 -0.005,601 0.055,602 -0.065,603 0.006,604 0.013,605 -0.011,606 0.15,607 0.046,608 -0.022,609 0.053,610 0.161,611 0.028,612 0.134,613 0.086,614 0.186,615 0.129,616 -0.047,617 -0.036,618 0.048,619 0.02,620 -0.053,621 0.011,622 -0.075,623 0.052,624 -0.002,625 0.038,626 -0.056,627 0.057,628 0.043,629 -0.084,630 -0.093,631 -0.124,632 0.088,633 -0.103,634 1.908,635 6.425,636 0.622,637 51.454,638 1.006,639 1.133,640 2.558,641 6.545,642 0.66,643 3.714,644 4.007,645 4.234,646 4.489,647 4.682,648 4.718,649 4.828,650 4.913,651 4.99,652 5.03,653 8.466,654 0.613,655 571.63,656 3.714,657 5.242,658 6.071,659 6.934,660 7.785,661 8.659,662 9.524,663 10.405,664 11.28,665 12.168,666 5.5,669 1,673 3,681 3,686 3,688 6,702 2,703 73,705 9,706 1,707 40,709 76,710 26,711 6,712 3,713 3,717 4,718 4,719 2,724 7,727 9,729 9,730 17,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 37,810 14,811 2,812 1,813 1,814 3,815 2,824 2,825 5.5,828 3,829 1,832 19.167,833 12.519,834 8.222,835 4.748,836 0.965,837 1.124,838 0.938,839 11.263,840 8.743,841 3.85,842 4.27,843 4.618,844 5.01,845 5.404,846 5.496,847 5.656,848 5.91,849 6.101,850 6.157,851 0.9,852 54,853 13.932,854 6.039,855 7.785,856 26.87,857 22.66,859 2.285,860 84.556,864 400.217,865 122.404,866 42.27,867 78.297,868 86.435,870 32.22,871 90.184,872 564.949,873 42.27,875 76.601,876 28.429,877 100.549,878 13.311,879 11.771,880 420.666,881 78.297,882 400.217,883 132.455,884 86.435,885 110.517,887 329.591,888 146.061,889 11,891 79.725,892 52.729,893 78.297,894 32.22,895 400.217,896 128.705,897 200.701,900 400.217,901 93.975,902 34.677,903 36.022,904 164.732,905 400.217,906 128.705,907 200.701,909 0.573,910 0.324,911 0.177,912 0.098,913 23,914 11,915 0.132,916 10,918 1,919 4.779,920 343.074,922 23,923 184.75,924 1,928 28.969,929 14.385,930 8.478,932 128.705,933 5.143,938 1.636,940 36.022,941 729.624,942 46,946 39.018,950 -0.56,952 73.461,953 82.697,954 0.278,955 0.544,956 0.771,957 0.873,958 0.885,959 0.885,960 5.109,961 1.738,962 6.038,963 5.629,964 4.691,965 4.956,966 3.934,967 6.81,968 4.56,969 6.237,970 1.614,971 7.57,972 4.899,973 4.205,974 4.677,975 2.909,976 7.633,977 3.977,978 7.501,979 1.533,980 9.204,981 4.375,982 6.24,983 6.85,984 6.085,985 10.76,986 5.989,987 8.792,988 1.379,989 10.9,990 3.309,991 6.581,992 7.391,993 5.238,994 12.483,995 6.226,996 10.119,997 1.254,998 12.64,999 3.126,1000 8.08,1001 9.085,1002 8.608,1003 15.14,1004 7.697,1005 11.469,1006 1.173,1007 14.412,1008 2.991,1009 8.83,1010 10.008,1011 7.914,1012 17.266,1013 8.336,1014 12.84,1015 1,1016 16.209,1017 2.698,1018 10.108,1019 11.524,1020 11.213,1021 19.769,1022 9.572,1023 3.266,1024 1,1025 18.026,1026 2.136,1027 11.067,1028 12.64,1029 10.72,1030 22.071,1031 10.42,1032 2.8,1033 11.459,1034 19.86,1035 2.136,1036 12.259,1037 14.082,1038 13.839,1039 24.525,1040 11.553,1041 2.617,1042 9.04,1043 21.708,1044 3.947,1045 13.323,1046 15.303,1047 13.531,1048 26.902,1049 12.511,1050 2.524,1051 7.496,1052 23.569,1053 3.388,1054 14.487,1055 16.711,1056 16.47,1057 29.341,1058 13.604,1059 2.373,1060 6.967,1061 25.439,1062 2.918,1063 15.604,1064 17.991,1065 16.323,1066 31.751,1067 14.62,1068 2.228,1069 6.876,1070 27.318,1071 2.812,1072 16.764,1073 19.381,1074 19.103,1075 34.186,1076 15.701,1077 2.07,1078 6.215,1079 29.204,1080 2.753,1081 17.907,1082 20.697,1083 19.094,1084 36.61,1085 16.749,1086 20963,1087 34681,1088 26.641,1089 48.148,1090 59.032,1091 63.5,1092 60.402,1093 58.984,1094 58.602,1095 66.266,1096 24.875,1097 162.21,1098 54.56,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.974,1107 5.009,1108 18.156,1109 1.476,1110 1.588,1111 1.51,1112 1.475,1113 1.465,1114 1.657,1115 0.622,1116 4.055,1117 1.364,1118 3.993,1119 4.022,1120 4.166,1121 3.935,1122 7.435,1123 3.914,1124 3.878,1125 3.928,1126 3.96,1127 3.76,1128 7.427,1129 3.75,1130 3.826,1131 3.889,1132 3.745,1133 3.661,1134 7.422,1135 3.647,1136 3.756,1137 3.785,1138 3.705,1139 3.616,1140 5.014,1141 3.616,1142 3.623,1143 3.676,1144 3.579,1145 3.41,1146 4.63,1147 3.425,1148 3.469,1149 3.523,1150 3.543,1151 3.263,1152 4.627,1153 3.273,1154 3.309,1155 3.353,1156 3.385,1157 3.114,1158 4.325,1159 3.112,1160 3.111,1161 3.206,1162 3.239,1163 2.95,1164 4.226,1165 2.932,1166 0.111,1167 0.12,1168 0.172,1169 0.105,1170 0.082,1171 4.432,1172 0.099,1173 4.788,1174 0.095,1175 6.875,1176 0.286,1177 4.19,1178 0.075,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.896,1185 1.882,1186 2.095,1187 2.034,1188 1.476,1189 2.056,1190 1.874,1191 1.818,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.765,1197 1.701,1198 1.944,1199 1.96,1200 1.176,1201 1.97,1202 1.64,1203 1.605,1204 1.825,1205 1.859,1206 1.105,1207 1.849,1208 1.576,1209 1.524,1210 1.771,1211 1.785,1212 1.087,1213 1.789,1214 1.434,1215 1.379,1216 1.639,1217 1.657,1218 0.869,1219 1.662,1220 1.216,1221 1.16,1222 1.513,1223 1.458,1224 0.825,1225 1.464,1226 1.153,1227 1.089,1228 1.513,1229 1.376,1230 0.825,1231 1.429,1232 4.394,1233 5.694,1234 2.398,1235 7.174,1236 4.844,1237 8.739,1238 7.018,1239 10.352,1242 12.579,1247 10.966,1248 6.041,1249 5.368,1250 1.369,1251 -0.859,1252 3.855,1257 44.742,1258 125.528,1259 245.748,1260 348.573,1261 394.347,1262 399.857,1263 399.857,1264 109.014,1265 7.778,1266 90.98,1267 116.28,1268 23,1269 12.702,1270 3.322,1271 2.807,1272 64.592,1273 176,1274 222,1275 0.165,1276 283.992,1277 510.27,1278 684.701,1279 26738,1280 2.7,1281 26.2,1282 0.708,1283 0.632,1284 27.554,1285 23.384,1286 17.902,1287 0.448,1288 0.372,1289 13.14,1290 16.196,1291 12.787,1292 10.424,1293 18.887,1294 14.874,1295 15.952,1296 0.295,1297 0.222,1298 17.347,1299 12.005,1300 12.716,1301 0.187,1302 0.134,1303 14.169,1304 9.121,1305 10.585,1306 0.12,1307 0.081,1308 12.421,1309 7.159,1310 8.317,1311 0.078,1312 0.047,1313 9.631,1314 4.98,1315 0.263,1316 122.589,1317 0.194,1318 34.145,1319 0.447,1320 188,1321 564.165,1322 263.343,1323 607.477,1324 781.53,1325 566,1326 216,1327 477.272,1328 281.181,1329 507.207,1330 748.08,1331 478,1332 5.155}
{0 CHEMBL40366,1 1.654,2 15.805,3 3.531,4 12.469,5 162.372,6 7.832,7 0.378,8 4.418,9 4.532,10 4.053,11 3.991,12 5.459,13 3.946,14 4.996,15 5.164,16 4.439,17 4.413,18 6.013,19 4.331,20 5.277,21 5.482,22 4.508,23 4.572,24 6.263,25 4.453,26 5.327,27 5.55,28 4.447,29 4.554,30 6.304,31 4.418,32 5.323,33 5.559,34 4.467,35 4.487,36 6.454,37 4.371,38 5.286,39 5.518,40 4.438,41 4.444,42 6.349,43 4.33,44 5.241,45 5.46,46 4.421,47 4.402,48 6.388,49 4.313,50 5.177,51 5.366,52 4.45,53 4.409,54 6.43,55 4.304,56 0.038,57 1.092,58 15.55,59 7.325,60 8.927,61 9.278,62 0.44,63 1.85,64 34.58,65 12.756,66 38.382,67 16.189,68 0.674,69 2.257,70 50.93,71 17.759,72 74.932,73 22.346,74 0.597,75 2.355,76 56.116,77 18.947,78 79.333,79 24.048,80 0.845,81 2.3,82 53.969,83 18.138,84 132.884,85 23.847,86 0.684,87 2.155,88 56.153,89 17.365,90 91.794,91 22.011,92 0.748,93 2.044,94 49.252,95 15.752,96 104.085,97 19.523,98 0.826,99 1.925,100 49.569,101 16.156,102 138.309,103 19.338,104 17,105 61,106 0.254,107 0.547,108 0.739,109 0.845,110 0.87,111 0.878,112 3.741,113 1.021,114 -3.91,115 -3.86,116 -3.67,119 40.8,121 2,125 8,127 1,128 1,138 11,139 4,140 1,151 3,163 15,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 18,187 6,190 1,192 4,194 11,197 3,198 8,201 3,203 5,205 6,208 1,209 10,214 5,217 7,220 1,221 10,224 1,226 4,227 7,230 1,231 8,234 2,235 1,236 2,238 9,241 2,242 9,247 1,249 9,252 4188,253 27.982,254 27.982,255 27.982,256 27.982,257 27.982,258 25.529,259 30.42,260 16.877,261 28.686,262 22.247,263 22.247,264 22.247,265 22.247,266 22.247,267 18.469,268 34.586,269 8.079,270 23.402,271 4.593,272 2.681,273 1.435,274 0.74,275 0.579,276 0.526,277 4.446,279 1,283 1,284 1410,285 4.359,287 129.35,288 573.885,292 223.686,295 2.776,296 47.231,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 88.333,308 648,309 4.493,310 4.786,311 6.817,312 4.163,313 3.236,314 4.43,315 3.784,316 11.255,317 3.028,318 4.365,319 3.65,320 6.506,321 4.03,322 3.031,323 3.724,324 1.963,325 10.196,326 2.994,327 3.975,328 3.615,329 5.94,330 3.605,331 2.629,332 3.358,333 1.909,334 8.243,335 2.56,336 3.705,337 3.503,338 5.387,339 3.45,340 2.525,341 2.947,342 1.859,343 6.967,344 2.397,345 3.604,346 3.18,347 5.34,348 3.413,349 2.437,350 2.835,351 0.901,352 6.882,353 2.308,354 3.517,355 3.101,356 5.215,357 3.271,358 2.286,359 2.789,360 0.86,361 6.312,362 2.244,363 3.5,364 2.902,365 5.031,366 3.103,367 2.171,368 2.675,369 0.8,370 6.032,371 2.063,372 3.439,373 2.885,374 4.981,375 3.026,376 2.038,377 2.519,378 0.561,379 5.797,380 1.873,381 3.118,382 2.29,383 4.733,384 2.618,385 1.689,386 2.427,387 0.215,388 4.88,389 1.618,390 2.781,391 2.176,392 4.306,393 2.611,394 1.618,395 1.904,397 3.794,398 1.543,399 2.766,400 2.104,401 4.16,402 2.481,403 1.564,404 1.781,406 3.619,407 1.421,408 2.612,409 1.802,410 3.715,411 2.275,412 1.277,413 1.606,415 3.308,416 1.274,417 2.577,418 1.678,419 3.599,420 2.179,421 1.26,422 1.521,424 2.847,425 1.139,426 2.5,427 1.618,428 3.477,429 2.157,430 1.256,431 1.5,433 2.705,434 1.083,435 2.402,436 1.353,437 3.414,438 2,439 1.004,440 1.358,442 2.305,443 1,444 19.981,445 0.487,446 0.87,447 0.021,448 47,449 1.146,450 20.5,451 0.5,452 26.5,453 0.646,454 43.87,455 1.07,456 44.819,457 0.59,458 39.834,459 0.972,460 9.131,461 0.223,462 10.844,463 0.264,464 0.086,466 0.29,472 0.699,473 1.315,474 0.691,475 0.999,476 0.523,477 0.954,478 0.894,479 1.11,480 0.945,481 1.003,482 0.588,483 0.981,484 1.045,485 0.976,486 1.036,487 0.998,488 1.045,489 1.01,490 1,491 1.1,492 1.057,493 1.124,494 1.156,495 1.063,496 0.743,497 1.05,498 0.778,499 0.992,500 0.837,501 0.929,502 1.16,503 1.02,504 0.888,505 0.957,506 1.331,507 0.932,508 1.516,509 0.872,510 0.931,511 0.818,512 1.779,513 0.841,514 1.334,515 1.067,516 1.2,517 1.106,518 1.68,519 1.046,520 7,521 0.356,522 4.222,523 2.639,524 2.104,525 1.404,526 0.93,527 0.714,528 0.451,529 0.397,530 31242,531 82485,532 2.105,533 46.1,535 28,536 1,538 2,539 2,541 2,542 1.808,543 2,544 3.895,545 0.137,550 125.737,551 1.654,552 3.567,553 4.813,554 5.508,555 5.669,556 5.722,557 3.389,558 5.114,559 5.323,560 4.141,561 3395.97,562 9.421,563 62985.6,568 474.842,569 1.282,570 5.302,571 0.156,572 0.007,573 0.069,574 0.043,575 0.037,576 0.024,577 0.017,578 0.013,579 0.008,580 0.007,581 0.38,582 0.33,583 0.63,584 0.458,585 236.287,586 -0.032,587 -0.127,588 0.047,589 -0.007,590 -0.011,591 0.014,592 -0.011,593 0.045,594 -0.032,595 0.02,596 0.013,597 -0.023,598 -0.068,599 0.071,600 -0.055,601 0.02,602 -0.09,603 -0.032,604 -0.076,605 -0.076,606 -0.061,607 -0.082,608 -0.084,609 -0.071,610 0.223,611 -0.05,612 0.122,613 -0.008,614 0.247,615 0.049,616 -0.046,617 -0.028,618 0.073,619 0.018,620 -0.045,621 0.033,622 -0.161,623 0.131,624 0.028,625 0.128,626 -0.118,627 0.093,628 0.019,629 -0.064,630 -0.065,631 -0.058,632 0.044,633 -0.08,634 1.919,635 6.513,636 0.659,637 61.774,638 1.003,639 1.123,640 2.677,641 7.167,642 0.678,643 3.829,644 4.127,645 4.382,646 4.635,647 4.86,648 4.875,649 4.984,650 5.069,651 5.153,652 5.136,653 9.434,654 0.637,655 595.22,656 3.829,657 5.361,658 6.201,659 7.066,660 7.925,661 8.798,662 9.667,663 10.546,664 11.422,665 12.304,666 5.3,669 1,673 3,680 2,681 11,686 3,688 17,702 1,703 76,705 20,706 3,707 45,709 80,710 31,711 16,712 5,713 11,717 5,718 6,719 1,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 35,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 1,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 1,825 5.3,828 3,829 1,832 20.5,833 13.21,834 9.083,835 4.608,836 2.723,837 1.328,838 0.972,839 10.579,840 11.035,841 4.052,842 4.564,843 5.055,844 5.559,845 6.081,846 6.215,847 6.518,848 6.818,849 7.106,850 6.835,851 0.909,852 62,853 15.351,854 6.634,855 7.755,856 29.451,857 24.589,859 2.255,860 92.444,864 388.446,865 192.478,866 42.27,867 39.149,868 86.435,870 32.22,871 160.258,872 514.03,873 42.27,875 66.034,876 104.239,877 100.549,878 18.142,879 11.771,880 408.895,881 39.149,882 388.446,883 202.529,884 86.435,885 71.368,887 364.904,888 98.977,889 11,891 69.158,892 133.37,893 39.149,894 32.22,895 388.446,896 128.705,897 231.627,900 388.446,901 88.239,902 110.487,903 36.022,904 125.583,905 388.446,906 128.705,907 231.627,909 0.573,910 0.33,911 0.18,912 0.103,913 27,914 12,915 0.138,916 11,917 1,918 1.074,919 5.185,920 398.604,921 0.074,922 27,923 209.66,924 1,928 29.867,929 14.522,930 8.025,931 2.202,932 128.705,933 21.336,938 2.483,940 36.022,941 748.778,942 56.5,946 39.359,950 -0.618,952 76.254,953 85.338,954 0.265,955 0.571,956 0.77,957 0.882,958 0.907,959 0.916,960 5.29,961 2.038,962 6.163,963 6.032,964 4.812,965 5.252,966 3.944,967 6.942,968 4.72,969 6.449,970 1.689,971 7.698,972 5.797,973 4.29,974 4.956,975 2.909,976 7.786,977 4.152,978 7.728,979 1.618,980 9.336,981 4.88,982 6.368,983 7.331,984 6.086,985 10.906,986 6.196,987 9.04,988 1.564,989 11.038,990 3.794,991 6.698,992 7.894,993 5.238,994 12.65,995 6.479,996 10.386,997 1.277,998 12.783,999 3.619,1000 8.216,1001 9.759,1002 8.608,1003 15.286,1004 7.964,1005 11.758,1006 1.26,1007 14.56,1008 3.308,1009 8.962,1010 10.755,1011 7.914,1012 17.408,1013 8.658,1014 13.149,1015 1.256,1016 16.361,1017 2.847,1018 10.248,1019 12.407,1020 11.213,1021 19.885,1022 9.909,1023 3.236,1024 1.004,1025 18.181,1026 2.705,1027 11.202,1028 13.635,1029 10.72,1030 22.167,1031 10.809,1032 3.031,1033 11.255,1034 20.015,1035 2.305,1036 12.394,1037 15.189,1038 13.839,1039 24.591,1040 11.961,1041 2.629,1042 10.196,1043 21.862,1044 4.43,1045 13.45,1046 16.54,1047 13.531,1048 26.941,1049 12.962,1050 2.525,1051 8.243,1052 23.719,1053 3.724,1054 14.609,1055 18.051,1056 16.47,1057 29.348,1058 14.076,1059 2.437,1060 6.967,1061 25.585,1062 3.358,1063 15.715,1064 19.466,1065 16.323,1066 31.727,1067 15.126,1068 2.286,1069 6.882,1070 27.457,1071 2.947,1072 16.865,1073 20.959,1074 19.103,1075 34.13,1076 16.226,1077 2.171,1078 6.312,1079 29.335,1080 2.835,1081 17.996,1082 22.408,1083 19.094,1084 36.524,1085 17.301,1086 29164,1087 47605,1088 30.512,1089 51.529,1090 66.86,1091 71.173,1092 67.874,1093 66.593,1094 66.38,1095 81.999,1096 25.703,1097 184.63,1098 63.174,1099 5.493,1100 6.786,1101 6.619,1102 5.302,1103 5.236,1104 7.43,1105 7.434,1106 18.607,1107 5.028,1108 17.457,1109 1.486,1110 1.582,1111 1.508,1112 1.48,1113 1.475,1114 1.822,1115 0.571,1116 4.103,1117 1.404,1118 4.097,1119 4.12,1120 4.123,1121 4.056,1122 7.435,1123 4.051,1124 3.972,1125 3.997,1126 4.035,1127 3.916,1128 7.427,1129 3.896,1130 3.829,1131 3.891,1132 3.918,1133 3.673,1134 7.422,1135 3.662,1136 3.768,1137 3.798,1138 3.708,1139 3.616,1140 4.943,1141 3.619,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 4.894,1147 3.449,1148 3.54,1149 3.593,1150 3.499,1151 3.402,1152 4.628,1153 3.4,1154 3.442,1155 3.49,1156 3.357,1157 3.276,1158 4.361,1159 3.283,1160 3.322,1161 3.368,1162 3.272,1163 3.145,1164 4.346,1165 3.141,1166 0.1,1167 0.106,1168 0.151,1169 0.093,1170 0.072,1171 4.493,1172 0.098,1173 4.786,1174 0.084,1175 6.817,1176 0.25,1177 4.163,1178 0.067,1179 3.236,1180 4.43,1181 3.784,1182 11.255,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.902,1191 1.881,1192 1.99,1193 2.004,1194 1.299,1195 2.003,1196 1.766,1197 1.701,1198 1.981,1199 1.974,1200 1.176,1201 1.986,1202 1.659,1203 1.626,1204 1.827,1205 1.871,1206 1.107,1207 1.859,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.088,1213 1.816,1214 1.506,1215 1.465,1216 1.692,1217 1.682,1218 0.871,1219 1.685,1220 1.434,1221 1.379,1222 1.635,1223 1.606,1224 0.825,1225 1.631,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.483,1232 4.511,1233 5.814,1234 2.398,1235 7.306,1236 4.844,1237 8.885,1238 7.018,1239 10.513,1242 6.099,1247 5.923,1248 5.945,1249 5.38,1250 1.401,1251 -0.966,1252 3.899,1257 48.388,1258 125.737,1259 271.118,1260 365.769,1261 418.578,1262 430.842,1263 434.842,1264 100.075,1265 8.312,1266 90.98,1267 116.28,1268 29,1269 12.84,1270 4.392,1271 3.644,1272 66.255,1273 224,1274 262,1275 0.135,1276 301.591,1277 534.2,1278 727.641,1279 56404,1280 1.3,1281 28.606,1282 0.698,1283 0.597,1284 29.459,1285 24.463,1286 19.974,1287 0.444,1288 0.34,1289 13.926,1290 18.558,1291 13.555,1292 11.082,1293 20.671,1294 15.314,1295 17.65,1296 0.289,1297 0.197,1298 18.674,1299 11.996,1300 14.627,1301 0.185,1302 0.116,1303 15.79,1304 9.141,1305 11.982,1306 0.117,1307 0.067,1308 13.166,1309 6.793,1310 10.016,1311 0.078,1312 0.038,1313 11.116,1314 4.859,1315 0.217,1316 131.894,1317 0.181,1318 37.279,1319 0.357,1320 212,1321 615.962,1322 271.491,1323 636.168,1324 840.91,1325 596,1326 246,1327 550.127,1328 299.304,1329 576.547,1330 847.5,1331 544,1332 5.62}
{0 CHEMBL40377,1 1.695,2 15.791,3 4.573,4 20.912,5 171.595,6 8.148,7 0.362,8 4.456,9 4.567,10 4.121,11 4.038,12 5.501,13 3.99,14 5.038,15 5.204,16 4.53,17 4.466,18 6.062,19 4.384,20 5.328,21 5.529,22 4.634,23 4.644,24 6.325,25 4.528,26 5.391,27 5.602,28 4.735,29 4.667,30 6.421,31 4.532,32 5.413,33 5.638,34 4.618,35 4.612,36 6.556,37 4.494,38 5.402,39 5.632,40 4.611,41 4.582,42 6.477,43 4.454,44 5.348,45 5.568,46 4.587,47 4.516,48 6.509,49 4.413,50 5.254,51 5.438,52 4.592,53 4.484,54 6.54,55 4.383,56 0.056,57 1.121,58 15.337,59 7.574,60 10.397,61 9.532,62 0.467,63 1.903,64 35.444,65 13.416,66 41.245,67 16.852,68 0.768,69 2.345,70 54.655,71 18.732,72 82.62,73 23.24,74 0.756,75 2.457,76 68.207,77 20.86,78 90.652,79 25.74,80 0.962,81 2.476,82 59.858,83 20.31,84 148.048,85 26.032,86 0.869,87 2.365,88 66.242,89 20.286,90 113.772,91 25.405,92 0.951,93 2.232,94 61.564,95 18.781,96 122.458,97 22.666,98 1.071,99 2.03,100 55.512,101 17.3,102 165.828,103 20.323,104 37,105 65,106 0.258,107 0.559,108 0.767,109 0.864,110 0.886,111 0.894,112 3.788,113 1.037,114 -4.54,115 -4.47,116 -4.21,119 40.5,120 1,121 2,125 7,127 2,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 4,172 24,175 2,176 4,179 1,181 2,183 18,187 8,190 1,192 4,194 18,197 3,198 7,201 3,203 5,205 8,208 1,209 10,214 4,217 10,220 1,221 12,224 1,226 4,227 7,230 1,231 9,234 2,235 1,236 3,238 9,241 2,242 9,247 1,249 10,252 4607,253 28.982,254 28.982,255 28.982,256 28.982,257 28.982,258 26.501,259 31.638,260 17.291,261 29.803,262 23.215,263 23.215,264 23.215,265 23.215,266 23.215,267 19.377,268 37.251,269 8.247,270 24.604,271 4.609,272 2.633,273 1.269,274 0.636,275 0.491,276 0.44,277 4.488,279 2,283 1,284 1470,285 4.637,287 135.59,288 603.291,292 234.228,295 2.716,296 53.281,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 92.667,308 679,309 4.529,310 4.788,311 6.875,312 4.191,313 3.266,314 4.446,315 3.784,316 11.459,317 3.097,318 4.432,319 3.678,320 6.664,321 4.105,322 3.11,323 3.947,324 1.963,325 10.702,326 3.008,327 4.109,328 3.616,329 6.205,330 3.742,331 2.796,332 3.388,333 1.909,334 9.038,335 2.626,336 3.789,337 3.533,338 5.696,339 3.512,340 2.534,341 3.079,342 1.859,343 7.58,344 2.469,345 3.64,346 3.265,347 5.496,348 3.442,349 2.52,350 2.844,351 0.901,352 7.02,353 2.343,354 3.544,355 3.214,356 5.34,357 3.349,358 2.361,359 2.812,360 0.86,361 6.964,362 2.293,363 3.516,364 3.001,365 5.134,366 3.181,367 2.229,368 2.696,369 0.8,370 6.215,371 2.149,372 3.462,373 2.885,374 5.011,375 3.042,376 2.087,377 2.519,378 0.561,379 5.871,380 1.878,381 3.118,382 2.649,383 4.827,384 2.658,385 1.751,386 2.427,387 0.215,388 5.119,389 1.618,390 2.981,391 2.539,392 4.617,393 2.618,394 1.618,395 2.09,397 4.442,398 1.561,399 2.816,400 2.176,401 4.382,402 2.52,403 1.614,404 1.931,406 4.005,407 1.459,408 2.749,409 1.819,410 4.002,411 2.448,412 1.54,413 1.8,415 3.361,416 1.371,417 2.66,418 1.681,419 3.909,420 2.354,421 1.388,422 1.675,424 3.295,425 1.268,426 2.606,427 1.678,428 3.714,429 2.243,430 1.261,431 1.6,433 3.122,434 1.237,435 2.554,436 1.618,437 3.576,438 2.174,439 1.238,440 1.506,442 2.768,443 1.134,444 21.195,445 0.493,446 1.048,447 0.024,448 48.25,449 1.122,450 20.5,451 0.477,452 27.75,453 0.645,454 50.596,455 1.177,456 47.205,457 0.598,458 41.875,459 0.974,460 9.183,461 0.214,462 11.613,463 0.27,464 0.138,466 0.321,472 0.681,473 1.319,474 0.639,475 0.966,476 0.529,477 0.937,478 0.851,479 1.127,480 0.839,481 0.959,482 0.571,483 0.942,484 1.054,485 0.947,486 0.979,487 0.938,488 1.041,489 0.963,490 0.923,491 1.106,492 0.916,493 1.078,494 1.094,495 1.036,496 0.821,497 1.065,498 0.785,499 0.984,500 0.974,501 0.955,502 1.052,503 1.017,504 0.895,505 0.969,506 1.209,507 0.959,508 1.312,509 0.923,510 0.981,511 0.939,512 1.564,513 0.865,514 1.337,515 1.035,516 1.122,517 1.069,518 1.721,519 1.019,520 8,521 0.398,522 4.667,523 3.576,524 2.495,525 1.741,526 1.092,527 0.88,528 0.525,529 0.517,530 33940,531 93721,532 2.072,533 45.6,535 26,536 1,538 2,539 2,540 3,541 2,542 1.82,543 1.94,544 3.89,545 0.137,550 133.881,551 1.695,552 3.671,553 5.035,554 5.668,555 5.813,556 5.864,557 3.395,558 5.24,559 5.392,560 4.131,561 3730.72,562 9.565,563 70362.1,568 497.999,569 1.406,570 5.357,571 0.17,572 0.007,573 0.072,574 0.053,575 0.038,576 0.026,577 0.018,578 0.014,579 0.009,580 0.009,581 0.415,582 0.17,583 0.63,584 0.523,585 249.886,586 -0.034,587 -0.124,588 0.034,589 -0.006,590 -0.018,591 0.013,592 -0.004,593 0.03,595 0.04,596 0.027,597 0.006,598 -0.086,599 0.114,600 -0.038,601 0.062,602 -0.1,603 0.006,604 -0.001,605 -0.076,606 0.081,607 -0.038,608 -0.04,609 -0.044,610 0.156,611 -0.059,612 0.077,613 -0.008,614 0.172,615 0.019,616 -0.004,617 -0.033,618 0.068,619 0.008,620 -0.013,621 0.017,622 -0.058,623 0.082,624 0.035,625 0.068,626 -0.035,627 0.093,628 0.037,629 -0.025,630 -0.047,631 -0.044,632 0.059,633 -0.068,634 1.995,635 6.663,636 0.628,637 62.946,638 1.006,639 1.123,640 3.314,641 10.981,642 0.685,643 3.871,644 4.19,645 4.454,646 4.727,647 4.934,648 4.977,649 5.088,650 5.159,651 5.252,652 5.257,653 9.399,654 0.642,655 643.69,656 3.871,657 5.416,658 6.263,659 7.141,660 8.008,661 8.893,662 9.77,663 10.66,664 11.544,665 12.438,666 5.1,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 79,705 20,706 3,707 47,709 83,710 32,711 16,712 6,713 10,717 5,718 6,719 2,721 1,724 1,727 4,729 19,730 13,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 43,810 9,811 2,812 1,813 1,814 3,815 2,824 2,825 5.1,828 3,829 1,832 22.167,833 14.102,834 9.472,835 4.845,836 2.756,837 1.328,838 0.964,839 11.271,840 11.155,841 4.086,842 4.615,843 5.116,844 5.639,845 6.146,846 6.313,847 6.607,848 6.895,849 7.178,850 6.981,851 0.909,852 68,853 16.115,854 7.007,855 7.78,856 30.769,857 25.753,859 2.28,860 98.056,864 400.217,865 193.222,866 42.27,867 78.297,868 86.435,870 32.22,871 161.002,872 564.949,873 42.27,874 8.825,875 63.928,876 94.762,877 100.549,878 21.643,879 11.771,880 420.666,881 78.297,882 400.217,883 203.272,884 86.435,885 110.517,887 341.362,888 134.29,889 11,891 75.878,892 127.395,893 78.297,894 32.22,895 400.217,896 128.705,897 271.519,900 400.217,901 89.634,902 109.836,903 36.022,904 164.732,905 400.217,906 128.705,907 271.519,909 0.578,910 0.337,911 0.187,912 0.103,913 29,914 14,915 0.133,916 11,917 1,918 1.074,919 5.206,920 433.536,921 0.074,922 27,923 225.329,924 1,928 32.08,929 15.108,930 8.239,931 2.17,932 128.705,933 19.165,938 2.57,940 36.022,941 800.441,942 58.5,946 39.855,950 -0.75,952 79.461,953 88.697,954 0.269,955 0.582,956 0.799,957 0.899,958 0.922,959 0.93,960 5.339,961 2.087,962 6.244,963 6.215,964 4.875,965 5.303,966 3.944,967 7.052,968 4.767,969 6.512,970 1.751,971 7.8,972 5.871,973 4.443,974 5.085,975 2.909,976 7.951,977 4.268,978 7.803,979 1.618,980 9.459,981 5.119,982 6.46,983 7.402,984 6.086,985 11.085,986 6.264,987 9.126,988 1.614,989 11.18,990 4.442,991 6.858,992 8.026,993 5.238,994 12.86,995 6.6,996 10.484,997 1.54,998 12.944,999 4.005,1000 8.343,1001 9.856,1002 8.608,1003 15.517,1004 8.06,1005 11.867,1006 1.388,1007 14.737,1008 3.361,1009 9.137,1010 10.896,1011 7.914,1012 17.66,1013 8.795,1014 13.27,1015 1.261,1016 16.553,1017 3.295,1018 10.41,1019 12.527,1020 11.213,1021 20.157,1022 10.037,1023 3.266,1024 1.238,1025 18.387,1026 3.122,1027 11.396,1028 13.781,1029 10.72,1030 22.456,1031 10.967,1032 3.11,1033 11.459,1034 20.234,1035 2.768,1036 12.586,1037 15.323,1038 13.839,1039 24.898,1040 12.12,1041 2.796,1042 10.702,1043 22.093,1044 4.446,1045 13.663,1046 16.687,1047 13.531,1048 27.262,1049 13.143,1050 2.534,1051 9.038,1052 23.961,1053 3.947,1054 14.826,1055 18.191,1056 16.47,1057 29.687,1058 14.264,1059 2.52,1060 7.58,1061 25.837,1062 3.388,1063 15.945,1064 19.611,1065 16.323,1066 32.081,1067 15.333,1068 2.361,1069 7.02,1070 27.719,1071 3.079,1072 17.101,1073 21.099,1074 19.103,1075 34.501,1076 16.444,1077 2.229,1078 6.964,1079 29.606,1080 2.844,1081 18.243,1082 22.548,1083 19.094,1084 36.909,1085 17.536,1086 31878,1087 53267,1088 31.323,1089 54.148,1090 70.38,1091 75.132,1092 72.141,1093 70.18,1094 69.806,1095 85.63,1096 25.703,1097 198.351,1098 65.752,1099 5.529,1100 6.788,1101 6.677,1102 5.332,1103 5.266,1104 7.446,1105 7.434,1106 18.974,1107 5.097,1108 21.952,1109 1.497,1110 1.599,1111 1.535,1112 1.493,1113 1.485,1114 1.822,1115 0.547,1116 4.22,1117 1.399,1118 4.103,1119 4.126,1120 4.17,1121 4.062,1122 7.435,1123 4.057,1124 3.976,1125 3.997,1126 4.045,1127 3.928,1128 7.427,1129 3.907,1130 3.83,1131 3.89,1132 3.958,1133 3.679,1134 7.422,1135 3.667,1136 3.772,1137 3.8,1138 3.708,1139 3.616,1140 5.015,1141 3.62,1142 3.656,1143 3.711,1144 3.589,1145 3.479,1146 4.897,1147 3.481,1148 3.572,1149 3.626,1150 3.561,1151 3.405,1152 4.629,1153 3.411,1154 3.443,1155 3.49,1156 3.513,1157 3.296,1158 4.627,1159 3.296,1160 3.354,1161 3.41,1162 3.343,1163 3.196,1164 4.361,1165 3.189,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.529,1172 0.095,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.191,1178 0.066,1179 3.266,1180 4.446,1181 3.784,1182 11.459,1183 3.097,1184 2.085,1185 2.066,1186 2.169,1187 2.14,1188 1.34,1189 2.151,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.673,1203 1.637,1204 1.84,1205 1.874,1206 1.108,1207 1.866,1208 1.597,1209 1.542,1210 1.82,1211 1.832,1212 1.088,1213 1.828,1214 1.532,1215 1.489,1216 1.73,1217 1.705,1218 0.946,1219 1.717,1220 1.434,1221 1.38,1222 1.635,1223 1.622,1224 0.867,1225 1.643,1226 1.373,1227 1.318,1228 1.611,1229 1.53,1230 0.825,1231 1.563,1232 4.554,1233 5.872,1234 2.398,1235 7.378,1236 4.844,1237 8.974,1238 7.018,1239 10.621,1241 1.94,1242 12.678,1247 5.302,1248 6.015,1249 5.384,1250 1.332,1251 -1.434,1252 3.828,1257 50.742,1258 133.881,1259 290.011,1260 397.76,1261 447.734,1262 459.244,1263 463.244,1264 116.083,1265 8.399,1266 90.98,1267 116.28,1268 29,1269 12.967,1270 4.392,1271 3.644,1272 71.237,1273 235,1274 282,1275 0.139,1276 319.516,1277 566.71,1278 771.379,1279 61309,1280 2.5,1281 30.346,1282 0.706,1283 0.614,1284 31.7,1285 26.389,1286 20.796,1287 0.442,1288 0.346,1289 14.511,1290 19.087,1291 14.053,1292 11.49,1293 21.781,1294 16.245,1295 18.728,1296 0.288,1297 0.199,1298 20.123,1299 12.96,1300 15.391,1301 0.181,1302 0.116,1303 16.844,1304 9.818,1305 13.097,1306 0.117,1307 0.068,1308 14.933,1309 7.632,1310 10.381,1311 0.075,1312 0.038,1313 11.695,1314 5.201,1315 0.222,1316 139.952,1317 0.179,1318 38.479,1319 0.372,1320 224,1321 656.165,1322 299.343,1323 704.742,1324 923.86,1325 658,1326 262,1327 589.272,1328 327.181,1329 625.34,1330 922.21,1331 590,1332 5.097}
{0 CHEMBL40427,1 1.769,2 16.545,3 3.238,4 10.484,5 170.116,6 8.167,7 0.255,8 4.5,9 4.605,10 4.156,11 3.993,12 5.58,13 3.968,14 5.083,15 5.253,16 4.54,17 4.394,18 6.122,19 4.34,20 5.297,21 5.473,22 4.684,23 4.577,24 6.366,25 4.494,26 5.409,27 5.599,28 4.792,29 4.632,30 6.491,31 4.529,32 5.469,33 5.678,34 4.663,35 4.605,36 6.617,37 4.511,38 5.464,39 5.682,40 4.626,41 4.588,42 6.564,43 4.472,44 5.435,45 5.675,46 4.591,47 4.515,48 6.557,49 4.414,50 5.314,51 5.512,52 4.627,53 4.465,54 6.587,55 4.376,56 0.159,57 1.146,58 16.277,59 7.911,60 13.561,61 9.651,62 0.852,63 1.829,64 39.626,65 13.241,66 56.967,67 16.242,68 1.133,69 2.159,70 52.615,71 17.561,72 90.245,73 21.392,74 1.231,75 2.341,76 68.93,77 19.945,78 107.859,79 24.258,80 1.512,81 2.404,82 63.746,83 19.926,84 161.138,85 25.275,86 1.438,87 2.34,88 70.19,89 20.156,90 137.341,91 25.571,92 1.452,93 2.223,94 66.056,95 18.699,96 149.055,97 24.325,98 1.44,99 2.002,100 60.899,101 17.547,102 179.55,103 21.512,104 74,105 64,106 0.27,107 0.556,108 0.768,109 0.845,110 0.857,111 0.884,112 3.81,113 1.02,114 -2.4,115 -2.43,116 -2.38,119 36.6,121 2,124 3,125 8,127 1,128 1,138 5,139 2,140 5,151 3,163 4,165 1,166 6,169 2,171 3,172 10,175 4,176 8,179 1,181 1,183 4,186 1,187 10,190 2,192 2,194 8,197 3,198 6,201 4,203 2,205 2,208 2,209 9,212 1,214 3,217 6,220 2,221 8,224 1,226 4,227 3,230 2,231 8,234 2,235 1,236 3,238 5,241 4,242 6,247 1,249 5,252 4918,253 29.731,254 29.731,255 29.731,256 29.731,257 29.731,258 27.76,259 39.342,260 17.574,261 31.047,262 22.974,263 22.974,264 22.974,265 22.974,266 22.974,267 19.672,268 44.494,269 8.06,270 24.871,271 4.589,272 2.714,273 1.322,274 0.821,275 0.738,276 0.564,277 4.499,279 2,284 1530,285 4.796,287 146.019,288 528.787,295 2.798,296 63.49,299 0.5,300 0.5,301 0.5,302 0.8,303 1,304 0.33,306 0.52,307 97.667,308 728,309 4.474,310 4.788,311 6.875,312 4.19,313 3.266,314 4.164,315 3.784,316 11.459,317 3.009,318 4.432,319 3.669,320 6.687,321 4.071,322 3.121,323 3.947,324 1.963,325 10.787,326 2.961,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.721,337 3.518,338 5.693,339 3.458,340 2.525,341 2.983,342 1.859,343 7.504,344 2.409,345 3.634,346 3.426,347 5.508,348 3.43,349 2.467,350 2.851,351 0.901,352 7.102,353 2.312,354 3.566,355 3.259,356 5.34,357 3.315,358 2.348,359 2.812,360 0.86,361 6.965,362 2.262,363 3.516,364 3.002,365 5.135,366 3.21,367 2.252,368 2.701,369 0.86,370 6.215,371 2.15,372 3.477,373 2.885,374 5.005,375 3.057,376 2.13,377 2.519,378 0.86,379 5.897,380 1.88,381 3.122,382 2.751,383 4.825,384 2.741,385 1.816,386 2.325,387 0.86,388 5.123,389 1.671,390 2.979,391 2.649,392 4.731,393 2.643,394 1.733,395 2.088,396 0.8,397 4.848,398 1.548,399 2.74,400 2.275,401 4.583,402 2.518,403 1.614,404 1.754,405 0.561,406 4.398,407 1.434,408 2.611,409 2.176,410 3.999,411 2.409,412 1.527,413 1.605,414 0.215,415 3.309,416 1.272,417 2.562,418 1.911,419 3.717,420 2.179,421 1.262,422 1.516,424 3.125,425 1.138,426 2.311,427 1.819,428 3.699,429 2.113,430 1.174,431 1.295,433 2.705,434 1.062,435 2.142,436 1.68,437 3.472,438 1.952,439 1.098,440 1.126,442 2.265,443 0.946,444 21.195,445 0.482,446 1.01,447 0.023,448 47.25,449 1.074,450 18,451 0.409,452 29.25,453 0.665,454 52.802,455 1.2,456 50.805,457 0.62,458 43.891,459 0.998,460 9.496,461 0.216,462 11.752,463 0.267,464 0.185,466 0.321,472 0.777,473 1.515,474 0.647,475 1.112,476 0.557,477 1.022,478 1.096,479 1.039,480 0.848,481 0.861,482 0.673,483 0.836,484 0.977,485 1.055,486 0.987,487 1.018,488 1.072,489 0.998,490 0.976,491 1.16,492 0.943,493 1.118,494 1.137,495 1.065,496 0.988,497 1.047,498 0.836,499 0.961,500 0.905,501 0.961,502 0.994,503 1.074,504 0.956,505 1.024,506 1.181,507 1.046,508 1.004,509 0.856,510 0.831,511 0.803,512 1.369,513 0.818,514 1.013,515 1.031,516 1.023,517 1.052,518 1.452,519 0.97,520 8.5,521 0.423,522 5.111,523 3.639,524 2.904,525 1.914,526 1.072,527 0.898,528 0.538,529 0.483,530 34620,531 107357,532 2.006,533 46.3,535 31,536 1,538 2,539 2,541 2,542 1.825,543 1.859,544 3.942,545 0.194,550 145.04,551 1.769,552 3.643,553 5.036,554 5.537,555 5.619,556 5.793,557 3.462,558 5.141,559 5.425,560 4.188,561 3962.21,562 9.63,563 76854.8,568 521.319,569 1.473,570 5.378,571 0.181,572 0.007,573 0.08,574 0.052,575 0.042,576 0.028,577 0.018,578 0.015,579 0.009,580 0.008,581 0.44,582 0.33,583 0.63,584 0.835,585 258.275,586 -0.053,587 -0.241,588 0.039,589 -0.084,590 -0.011,591 -0.029,592 -0.117,593 0.121,594 0.025,595 0.159,596 -0.007,597 0.12,598 -0.018,599 0.05,600 -0.028,601 0.026,602 -0.08,603 -0.015,604 -0.017,605 -0.094,606 0.059,607 -0.056,608 -0.058,609 -0.071,610 0.022,611 -0.033,612 0.027,613 0.016,614 0.136,615 0.008,616 -0.028,617 -0.074,618 -0.012,619 -0.047,620 -0.028,621 -0.067,622 -0.016,623 0.115,624 0.104,625 0.132,626 -0.016,627 0.148,628 0.074,629 -0.024,630 0.037,631 -0.019,632 0.115,633 0.011,634 2.048,635 6.611,636 0.523,637 67.014,638 1.016,639 1.131,640 1.166,641 1.36,642 0.662,643 3.871,644 4.174,645 4.443,646 4.691,647 4.875,648 4.913,649 4.99,650 5.043,651 5.106,652 5.136,653 9.748,654 0.627,655 669.69,656 3.871,657 5.407,658 6.252,659 7.125,660 7.991,661 8.872,662 9.747,663 10.633,664 11.516,665 12.406,666 4.9,669 1,673 3,681 5,686 7,688 12,701 3,702 2,703 82,705 15,706 2,707 47,709 85,710 30,711 12,712 7,713 5,717 4,718 4,719 2,724 1,727 3,729 15,730 15,733 3,737 3,741 3,747 38,748 11,749 2,750 14,751 3,755 4,760 1,761 7,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 3,802 2,805 44,810 10,811 2,812 4,813 1,814 2,815 2,824 2,825 8.5,828 3,829 1,830 3,832 23.667,833 15.352,834 10.056,835 4.671,836 1.714,837 1.21,838 0.929,839 13.597,840 9.892,841 4.043,842 4.533,843 4.99,844 5.433,845 5.868,846 5.967,847 6.09,848 6.253,849 6.412,850 6.433,851 1,852 70,853 16.454,854 6.986,855 7.872,856 30.976,857 24.952,859 2.372,860 104.389,864 423.76,865 182.355,866 42.27,867 78.297,868 119.434,870 32.22,871 150.135,872 621.491,873 42.27,874 32.649,875 66.034,876 47.381,877 100.549,878 65.227,879 11.771,880 444.208,881 78.297,882 423.76,883 192.405,884 119.434,885 110.517,887 400.217,888 131.977,889 11,891 69.158,892 123.247,893 78.297,894 32.22,895 423.76,896 161.704,897 260.652,900 423.76,901 102.324,902 86.279,903 36.022,904 197.732,905 423.76,906 161.704,907 260.652,909 0.571,910 0.343,911 0.19,912 0.103,913 26,914 14,915 0.165,916 14,918 1,919 5.194,920 434.95,922 23,923 236.215,924 1,928 34.942,929 17.122,930 9.317,932 161.704,933 8.536,938 3.525,940 36.022,941 846.116,942 56,946 39.614,950 -0.918,952 83.327,953 92.741,954 0.278,955 0.573,956 0.792,957 0.871,958 0.884,959 0.911,960 5.298,961 2.13,962 6.232,963 6.215,964 4.86,965 5.22,966 4.027,967 7.043,968 4.711,969 6.462,970 1.816,971 7.794,972 5.897,973 4.443,974 5.047,975 2.909,976 7.976,977 4.225,978 7.754,979 1.733,980 9.459,981 5.123,982 6.45,983 7.268,984 6.093,985 11.089,986 6.184,987 9.079,988 1.614,989 11.184,990 4.848,991 6.868,992 7.913,993 5.238,994 12.882,995 6.525,996 10.439,997 1.527,998 12.951,999 4.398,1000 8.336,1001 9.651,1002 8.608,1003 15.529,1004 7.948,1005 11.822,1006 1.262,1007 14.747,1008 3.309,1009 9.145,1010 10.667,1011 7.914,1012 17.681,1013 8.671,1014 13.223,1015 1.174,1016 16.564,1017 3.125,1018 10.407,1019 12.225,1020 11.213,1021 20.176,1022 9.883,1023 3.266,1024 1.098,1025 18.399,1026 2.705,1027 11.402,1028 13.426,1029 10.72,1030 22.479,1031 10.791,1032 3.121,1033 11.459,1034 20.248,1035 2.265,1036 12.587,1037 14.907,1038 13.839,1039 24.922,1040 11.919,1041 2.796,1042 10.787,1043 22.107,1044 4.164,1045 13.67,1046 16.203,1047 13.531,1048 27.289,1049 12.917,1050 2.525,1051 9.037,1052 23.976,1053 3.947,1054 14.831,1055 17.648,1056 16.47,1057 29.715,1058 14.013,1059 2.467,1060 7.504,1061 25.853,1062 3.387,1063 15.954,1064 18.995,1065 16.323,1066 32.111,1067 15.055,1068 2.348,1069 7.102,1070 27.736,1071 2.983,1072 17.11,1073 20.423,1074 19.103,1075 34.532,1076 16.142,1077 2.252,1078 6.965,1079 29.624,1080 2.851,1081 18.254,1082 21.798,1083 19.094,1084 36.941,1085 17.206,1086 33527,1087 59315,1088 30.63,1089 54.273,1090 68.931,1091 73.94,1092 72.622,1093 68.899,1094 68.647,1095 81.05,1096 30.863,1097 194.541,1098 63.144,1099 5.474,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.164,1105 7.434,1106 18.973,1107 5.009,1108 26.456,1109 1.467,1110 1.573,1111 1.545,1112 1.466,1113 1.461,1114 1.724,1115 0.657,1116 4.139,1117 1.343,1118 4.004,1119 4.026,1120 4.167,1121 3.939,1122 7.435,1123 3.921,1124 3.936,1125 3.948,1126 3.962,1127 3.852,1128 7.427,1129 3.859,1130 3.829,1131 3.889,1132 3.909,1133 3.674,1134 7.422,1135 3.662,1136 3.766,1137 3.792,1138 3.708,1139 3.616,1140 5.018,1141 3.619,1142 3.636,1143 3.688,1144 3.583,1145 3.413,1146 4.967,1147 3.432,1148 3.506,1149 3.559,1150 3.55,1151 3.291,1152 4.629,1153 3.304,1154 3.353,1155 3.4,1156 3.457,1157 3.149,1158 4.627,1159 3.153,1160 3.292,1161 3.344,1162 3.244,1163 3.04,1164 4.578,1165 3.044,1166 0.095,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.474,1172 0.089,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.19,1178 0.064,1179 3.266,1180 4.164,1181 3.784,1182 11.459,1183 3.009,1184 1.897,1185 1.884,1186 1.987,1187 2.022,1188 1.299,1189 2.008,1190 1.895,1191 1.882,1192 1.984,1193 2.003,1194 1.181,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.162,1201 1.97,1202 1.649,1203 1.617,1204 1.825,1205 1.863,1206 1.099,1207 1.852,1208 1.581,1209 1.529,1210 1.776,1211 1.808,1212 1.081,1213 1.802,1214 1.438,1215 1.382,1216 1.644,1217 1.672,1218 0.868,1219 1.671,1220 1.306,1221 1.259,1222 1.594,1223 1.569,1224 0.825,1225 1.578,1226 1.216,1227 1.149,1228 1.579,1229 1.534,1230 0.685,1231 1.549,1232 4.554,1233 5.861,1234 2.398,1235 7.359,1236 4.844,1237 8.95,1238 7.018,1239 10.593,1241 4.541,1242 12.638,1247 5.249,1248 5.79,1249 21.628,1250 1.286,1251 -1.275,1252 3.776,1257 51.414,1258 145.04,1259 298.745,1260 412.916,1261 454.035,1262 460.79,1263 475.055,1264 141.935,1265 8.178,1266 118.67,1267 143.97,1268 23,1269 12.937,1270 4,1271 3.322,1272 84.988,1273 251,1274 292,1275 0.157,1276 325.568,1277 587.02,1278 786.146,1279 45117,1280 2.4,1281 31.639,1282 0.719,1283 0.622,1284 32.993,1285 27.357,1286 21.248,1287 0.452,1288 0.34,1289 14.113,1290 19.089,1291 13.609,1292 11.175,1293 22.234,1294 15.974,1295 18.44,1296 0.288,1297 0.193,1298 19.834,1299 12.372,1300 15.422,1301 0.184,1302 0.112,1303 16.875,1304 9.412,1305 12.806,1306 0.119,1307 0.067,1308 14.642,1309 7.194,1310 10.027,1311 0.077,1312 0.038,1313 11.348,1314 4.887,1315 0.252,1316 146.057,1317 0.181,1318 39.252,1319 0.417,1320 222,1321 767.372,1322 305.646,1323 784.668,1324 1016.45,1325 734,1326 259,1327 637.626,1328 333.869,1329 670.969,1330 985.3,1331 625,1332 4.959}
{0 CHEMBL40468,1 1.73,2 15.051,3 3.773,4 14.238,5 155.768,6 8.132,7 0.286,8 4.373,9 4.487,10 4.033,11 3.931,12 5.414,13 3.882,14 4.958,15 5.132,16 4.433,17 4.35,18 5.978,19 4.264,20 5.228,21 5.428,22 4.526,23 4.517,24 6.234,25 4.394,26 5.298,27 5.517,28 4.615,29 4.521,30 6.32,31 4.373,32 5.294,33 5.539,34 4.498,35 4.435,36 6.427,37 4.318,38 5.225,39 5.441,40 4.511,41 4.411,42 6.361,43 4.303,44 5.205,45 5.409,46 4.48,47 4.376,48 6.409,49 4.286,50 5.15,51 5.342,52 4.511,53 4.378,54 6.425,55 4.269,56 0.068,57 1.045,58 14.5,59 7.017,60 9.773,61 8.88,62 0.499,63 1.733,64 34.129,65 12.29,66 40.442,67 15.581,68 0.754,69 2.069,70 50.819,71 16.991,72 78.799,73 21.081,74 0.804,75 2.16,76 65.405,77 18.749,78 92.945,79 23.215,80 0.989,81 2.104,82 56.924,83 17.59,84 138.616,85 22.946,86 0.838,87 1.923,88 57.946,89 16.702,90 103.553,91 20.569,92 0.979,93 1.873,94 51.253,95 15.239,96 124.589,97 18.453,98 0.976,99 1.798,100 51.924,101 15.916,102 145.996,103 19.137,104 37,105 57,106 0.27,107 0.56,108 0.778,109 0.868,110 0.883,111 0.887,112 3.693,113 1.057,114 -3.94,115 -3.9,116 -3.7,119 38.4,120 1,121 2,125 8,127 1,128 1,138 7,139 3,140 2,151 3,163 9,165 1,166 4,169 2,171 3,172 17,175 2,176 4,179 1,181 2,183 9,187 7,190 1,192 4,194 9,197 3,198 7,201 3,203 3,205 3,208 1,209 10,214 3,217 8,220 1,221 8,224 1,226 4,227 5,230 1,231 8,234 2,235 1,236 3,238 7,241 2,242 9,247 1,249 7,252 3797,253 26.12,254 26.12,255 26.12,256 26.12,257 26.12,258 24.097,259 31.533,260 15.685,261 26.934,262 20.727,263 20.727,264 20.727,265 20.727,266 20.727,267 17.618,268 34.852,269 7.504,270 22.101,271 4.46,272 2.598,273 1.204,274 0.623,275 0.531,276 0.503,277 4.384,279 2,283 1,284 1247,285 4.359,287 126.757,288 461.543,295 2.471,296 50.986,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 84.667,308 587,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.164,319 3.669,320 6.204,321 3.799,322 2.811,323 3.775,324 1.963,325 9.037,326 2.79,327 4.107,328 3.615,329 6.023,330 3.736,331 2.784,332 3.387,333 1.909,334 8.556,335 2.618,336 3.693,337 3.514,338 5.509,339 3.45,340 2.525,341 2.871,342 1.859,343 7.111,344 2.398,345 3.589,346 3.259,347 5.34,348 3.414,349 2.436,350 2.812,351 0.901,352 6.965,353 2.307,354 3.516,355 3.014,356 5.135,357 3.255,358 2.273,359 2.713,360 0.86,361 6.215,362 2.227,363 3.484,364 2.992,365 5,366 3.063,367 2.142,368 2.519,369 0.8,370 5.895,371 1.883,372 2.982,373 2.885,374 4.812,375 2.668,376 1.766,377 2.098,378 0.561,379 5.077,380 1.576,381 2.916,382 2.649,383 4.593,384 2.527,385 1.614,386 2.076,387 0.215,388 4.414,389 1.505,390 2.846,391 2.176,392 4.189,393 2.507,394 1.557,395 1.978,397 3.837,398 1.422,399 2.735,400 1.877,401 3.998,402 2.414,403 1.48,404 1.749,406 3.308,407 1.414,408 2.611,409 1.818,410 3.715,411 2.397,412 1.414,413 1.604,415 3.124,416 1.269,417 2.561,418 1.68,419 3.603,420 2.177,421 1.259,422 1.514,424 2.981,425 1.137,426 2.311,427 1.678,428 3.472,429 2.112,430 1.174,431 1.295,433 2.703,434 1.059,435 2,436 1.488,437 3.255,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.195,445 0.492,446 0.945,447 0.024,448 41.75,449 1.071,450 16.5,451 0.423,452 25.25,453 0.647,454 45.389,455 1.164,456 43.805,457 0.6,458 34.988,459 0.897,460 8.053,461 0.206,462 10.759,463 0.276,464 0.153,466 0.302,472 0.69,473 1.401,474 0.642,475 1.001,476 0.525,477 0.971,478 0.865,479 1.129,480 0.84,481 0.955,482 0.573,483 0.941,484 1.054,485 1.022,486 1.001,487 1.001,488 1.061,489 1.022,490 0.953,491 1.141,492 0.934,493 1.1,494 1.134,495 1.062,496 0.761,497 0.944,498 0.718,499 0.87,500 0.838,501 0.811,502 1.145,503 1.031,504 0.94,505 0.99,506 1.32,507 0.937,508 1.482,509 0.913,510 0.974,511 0.874,512 1.818,513 0.899,514 1.096,515 1.066,516 1.07,517 1.092,518 1.378,519 1.008,520 7.5,521 0.324,522 4.222,523 2.889,524 2.162,525 1.616,526 0.91,527 0.805,528 0.472,529 0.412,530 25521,531 73050,532 2.037,533 46.6,534 3,535 24,536 1,538 2,539 2,541 2,542 1.797,543 1.902,544 3.817,545 0.187,550 126.278,551 1.73,552 3.592,553 4.985,554 5.566,555 5.659,556 5.686,557 3.338,558 5.132,559 5.248,560 4.056,561 3005.79,562 9.282,563 53276.8,568 451.857,569 1.42,570 5.213,571 0.179,572 0.007,573 0.074,574 0.05,575 0.04,576 0.028,577 0.017,578 0.015,579 0.009,580 0.008,581 0.426,582 0.33,583 0.75,584 0.551,585 220.69,586 -0.039,587 -0.161,588 0.033,589 -0.02,590 -0.013,591 0.001,592 -0.013,593 0.045,594 0.006,595 0.056,596 0.028,597 0.017,598 -0.085,599 0.042,600 -0.052,601 0.014,602 -0.103,603 -0.047,604 -0.014,605 -0.116,606 0.079,607 -0.054,608 -0.06,609 -0.069,610 0.194,611 0.047,612 0.167,613 0.103,614 0.23,615 0.164,616 -0.025,617 -0.035,618 0.054,619 0.002,620 -0.012,621 0.032,622 -0.142,623 0.097,624 -0.014,625 0.077,626 -0.135,627 0.03,628 0.114,629 -0.058,630 0.011,631 -0.044,632 0.133,633 -0.032,634 1.965,635 6.461,636 0.59,637 57.757,638 1.008,639 1.127,640 2.714,641 7.363,642 0.677,643 3.761,644 4.06,645 4.29,646 4.522,647 4.718,648 4.754,649 4.836,650 4.92,651 4.997,652 5.024,653 8.931,654 0.633,655 593.63,656 3.761,657 5.293,658 6.125,659 6.987,660 7.84,661 8.712,662 9.577,663 10.456,664 11.33,665 12.215,666 5.5,669 1,673 3,681 7,686 5,688 12,702 2,703 73,705 15,706 2,707 42,709 76,710 28,711 12,712 5,713 7,717 4,718 4,719 2,721 1,724 1,727 3,729 15,730 13,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.5,828 3,829 1,832 20.5,833 13.019,834 8.667,835 4.394,836 1.599,837 1.203,838 0.949,839 11.381,840 9.484,841 3.951,842 4.431,843 4.836,844 5.246,845 5.679,846 5.697,847 5.809,848 6.061,849 6.271,850 6.318,851 1,852 58,853 14.613,854 6.272,855 7.822,856 27.823,857 22.923,859 2.322,860 90.556,864 376.675,865 164.938,866 42.27,867 78.297,868 86.435,870 32.22,871 132.719,872 541.407,873 42.27,874 8.825,875 66.034,876 66.334,877 100.549,878 19.682,879 11.771,880 397.124,881 78.297,882 376.675,883 174.989,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 77.983,892 97.006,893 78.297,894 32.22,895 376.675,896 128.705,897 243.236,900 376.675,901 89.779,902 81.408,903 36.022,904 164.732,905 376.675,906 128.705,907 243.236,909 0.576,910 0.329,911 0.174,912 0.096,913 24,914 12,915 0.145,916 11,918 1,919 4.925,920 366.54,922 23,923 200.131,924 1,928 30.16,929 14.717,930 8.589,932 128.705,933 12.927,938 3.684,940 36.022,941 748.616,942 51,946 39.099,950 -0.726,952 73.578,953 82.282,954 0.279,955 0.58,956 0.805,957 0.899,958 0.914,959 0.919,960 5.198,961 1.766,962 6.098,963 5.895,964 4.745,965 5.118,966 3.944,967 6.876,968 4.623,969 6.355,970 1.614,971 7.639,972 5.077,973 4.29,974 4.856,975 2.909,976 7.724,977 4.094,978 7.633,979 1.557,980 9.281,981 4.414,982 6.304,983 7.114,984 6.086,985 10.837,986 6.078,987 8.939,988 1.48,989 10.985,990 3.837,991 6.673,992 7.645,993 5.238,994 12.568,995 6.371,996 10.279,997 1.414,998 12.731,999 3.308,1000 8.155,1001 9.422,1002 8.608,1003 15.212,1004 7.817,1005 11.641,1006 1.259,1007 14.507,1008 3.124,1009 8.921,1010 10.323,1011 7.914,1012 17.332,1013 8.5,1014 13.021,1015 1.174,1016 16.307,1017 2.981,1018 10.189,1019 11.903,1020 11.213,1021 19.824,1022 9.722,1023 3.266,1024 1,1025 18.125,1026 2.703,1027 11.153,1028 12.994,1029 10.72,1030 22.117,1031 10.597,1032 2.811,1033 11.459,1034 19.958,1035 2.136,1036 12.338,1037 14.478,1038 13.839,1039 24.562,1040 11.724,1041 2.784,1042 9.037,1043 21.805,1044 3.947,1045 13.4,1046 15.675,1047 13.531,1048 26.931,1049 12.696,1050 2.525,1051 8.556,1052 23.662,1053 3.775,1054 14.558,1055 17.106,1056 16.47,1057 29.364,1058 13.784,1059 2.436,1060 7.111,1061 25.528,1062 3.387,1063 15.67,1064 18.366,1065 16.323,1066 31.768,1067 14.806,1068 2.273,1069 6.965,1070 27.402,1071 2.871,1072 16.824,1073 19.767,1074 19.103,1075 34.2,1076 15.881,1077 2.142,1078 6.215,1079 29.283,1080 2.812,1081 17.963,1082 21.064,1083 19.094,1084 36.621,1085 16.929,1086 24447,1087 41643,1088 27.739,1089 49.387,1090 62.178,1091 66.763,1092 63.852,1093 62.035,1094 61.678,1095 73.7,1096 25.703,1097 171.904,1098 57.648,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.009,1108 20.841,1109 1.48,1110 1.59,1111 1.52,1112 1.477,1113 1.469,1114 1.755,1115 0.612,1116 4.093,1117 1.373,1118 3.999,1119 4.026,1120 4.167,1121 3.941,1122 7.435,1123 3.922,1124 3.929,1125 3.956,1126 3.961,1127 3.877,1128 7.427,1129 3.868,1130 3.829,1131 3.89,1132 3.869,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.792,1138 3.707,1139 3.616,1140 5.014,1141 3.618,1142 3.634,1143 3.687,1144 3.582,1145 3.413,1146 4.746,1147 3.431,1148 3.496,1149 3.552,1150 3.548,1151 3.287,1152 4.629,1153 3.298,1154 3.328,1155 3.374,1156 3.442,1157 3.137,1158 4.627,1159 3.135,1160 3.172,1161 3.257,1162 3.242,1163 3.029,1164 4.234,1165 3.006,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.937,1185 1.908,1186 2.063,1187 2.026,1188 1.299,1189 2.039,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.213,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.175,1201 1.97,1202 1.65,1203 1.617,1204 1.825,1205 1.863,1206 1.103,1207 1.853,1208 1.581,1209 1.528,1210 1.781,1211 1.804,1212 1.085,1213 1.803,1214 1.438,1215 1.381,1216 1.643,1217 1.667,1218 0.869,1219 1.668,1220 1.267,1221 1.213,1222 1.554,1223 1.489,1224 0.825,1225 1.501,1226 1.205,1227 1.125,1228 1.513,1229 1.418,1230 0.698,1231 1.469,1232 4.443,1233 5.746,1234 2.398,1235 7.231,1236 4.844,1237 8.8,1238 7.018,1239 10.416,1241 1.99,1242 12.587,1247 5.76,1248 5.851,1249 5.369,1250 1.332,1251 -1.136,1252 3.819,1257 46.216,1258 126.278,1259 262.193,1260 363.941,1261 406.347,1262 413.102,1263 415.102,1264 113.094,1265 7.885,1266 90.98,1267 116.28,1268 23,1269 12.75,1270 4,1271 3.322,1272 70.159,1273 197,1274 242,1275 0.161,1276 294.395,1277 526.05,1278 710.083,1279 31210,1280 2.7,1281 27.777,1282 0.712,1283 0.623,1284 29.131,1285 24.287,1286 18.813,1287 0.448,1288 0.352,1289 13.067,1290 17.104,1291 12.625,1292 10.329,1293 19.798,1294 14.803,1295 16.811,1296 0.295,1297 0.207,1298 18.206,1299 11.805,1300 13.575,1301 0.189,1302 0.123,1303 15.028,1304 8.888,1305 10.935,1306 0.12,1307 0.074,1308 12.771,1309 6.7,1310 8.637,1311 0.078,1312 0.041,1313 9.959,1314 4.548,1315 0.257,1316 128.099,1317 0.19,1318 35.711,1319 0.431,1320 198,1321 608.165,1322 273.01,1323 654.56,1324 846.53,1325 610,1326 228,1327 523.99,1328 293.014,1329 558.633,1330 819.51,1331 525,1332 4.959}
{0 CHEMBL40771,1 1.654,2 15.756,3 3.531,4 12.469,5 162.372,6 7.832,7 0.378,8 4.418,9 4.532,10 4.053,11 3.991,12 5.46,13 3.946,14 4.996,15 5.164,16 4.439,17 4.413,18 6.01,19 4.331,20 5.277,21 5.482,22 4.536,23 4.577,24 6.261,25 4.46,26 5.332,27 5.55,28 4.57,29 4.577,30 6.331,31 4.44,32 5.327,33 5.558,34 4.533,35 4.509,36 6.47,37 4.394,38 5.291,39 5.517,40 4.426,41 4.453,42 6.388,43 4.344,44 5.245,45 5.46,46 4.443,47 4.4,48 6.433,49 4.313,50 5.174,51 5.366,52 4.45,53 4.397,54 6.428,55 4.296,56 0.038,57 1.092,58 15.55,59 7.325,60 9.025,61 9.278,62 0.44,63 1.85,64 34.58,65 12.756,66 37.937,67 16.189,68 0.663,69 2.255,70 50.549,71 17.765,72 73.886,73 22.345,74 0.655,75 2.329,76 61.485,77 19.294,78 81.645,79 24.132,80 0.859,81 2.282,82 56.157,83 18.386,84 132.405,85 23.936,86 0.729,87 2.148,88 56.117,89 17.48,90 100.83,91 22.082,92 0.868,93 2.034,94 52.083,95 15.812,96 116.519,97 19.541,98 0.832,99 1.932,100 47.89,101 15.929,102 138.962,103 19.258,104 17,105 61,106 0.254,107 0.547,108 0.734,109 0.849,110 0.886,111 0.894,112 3.741,113 1.021,114 -3.91,115 -3.86,116 -3.67,119 40.8,121 2,125 8,127 1,128 1,138 11,139 4,140 1,151 3,163 15,165 1,166 4,169 2,171 3,172 22,175 2,176 4,179 1,181 2,183 17,187 7,190 1,192 4,194 12,197 3,198 8,201 3,203 5,205 6,208 1,209 9,214 4,217 7,220 1,221 11,224 1,226 4,227 8,230 1,231 9,234 2,235 1,236 4,238 7,241 2,242 9,247 1,249 9,252 4134,253 28.034,254 28.034,255 28.034,256 28.034,257 28.034,258 25.553,259 29.074,260 16.951,261 28.712,262 22.248,263 22.248,264 22.248,265 22.248,266 22.248,267 18.451,268 33.522,269 8.09,270 23.359,271 4.593,272 2.681,273 1.463,274 0.715,275 0.474,276 0.421,277 4.446,279 1,283 1,284 1406,285 4.359,287 127.423,288 571.014,292 222.098,295 2.811,296 48.119,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 88.333,308 646,309 4.493,310 4.788,311 6.873,312 4.187,313 3.263,314 4.43,315 3.784,316 11.453,317 3.028,318 4.417,319 3.667,320 6.506,321 4.03,322 3.032,323 3.871,324 1.963,325 10.196,326 3.006,327 4.056,328 3.615,329 6.19,330 3.702,331 2.747,332 3.35,333 1.909,334 8.968,335 2.606,336 3.701,337 3.513,338 5.489,339 3.452,340 2.525,341 2.943,342 1.859,343 7.057,344 2.403,345 3.595,346 3.238,347 5.34,348 3.418,349 2.44,350 2.83,351 0.901,352 6.965,353 2.309,354 3.517,355 3.103,356 5.218,357 3.268,358 2.273,359 2.718,360 0.86,361 6.312,362 2.245,363 3.465,364 2.885,365 5.013,366 3.068,367 2.073,368 2.519,369 0.8,370 5.913,371 2.062,372 3.128,373 2.875,374 4.955,375 2.799,376 1.851,377 2.427,378 0.561,379 5.388,380 1.723,381 3.118,382 2.29,383 4.64,384 2.618,385 1.642,386 2.266,387 0.215,388 4.582,389 1.618,390 2.86,391 2.176,392 4.162,393 2.563,394 1.618,395 2.01,397 3.793,398 1.511,399 2.771,400 1.819,401 3.962,402 2.446,403 1.54,404 1.904,406 3.308,407 1.384,408 2.73,409 1.72,410 3.715,411 2.348,412 1.414,413 1.733,415 3.103,416 1.274,417 2.611,418 1.678,419 3.6,420 2.274,421 1.276,422 1.602,424 2.848,425 1.243,426 2.482,427 1.618,428 3.592,429 2.179,430 1.26,431 1.417,433 2.769,434 1.138,435 2.402,436 1.413,437 3.469,438 2.03,439 1.066,440 1.355,442 2.676,443 1.012,444 19.981,445 0.487,446 0.853,447 0.021,448 47,449 1.146,450 20.5,451 0.5,452 26.5,453 0.646,454 44.354,455 1.082,456 44.819,457 0.59,458 39.887,459 0.973,460 9.146,461 0.223,462 10.845,463 0.265,464 0.086,466 0.29,472 0.699,473 1.315,474 0.691,475 0.999,476 0.522,477 0.954,478 0.894,479 1.11,480 0.945,481 1.003,482 0.593,483 0.981,484 1.035,485 0.971,486 0.999,487 0.971,488 1.041,489 0.985,490 1.022,491 1.097,492 1.082,493 1.115,494 1.179,495 1.058,496 0.803,497 1.042,498 0.873,499 0.994,500 0.875,501 0.922,502 1.218,503 1.017,504 1.086,505 1.02,506 1.329,507 0.957,508 1.486,509 0.886,510 1.033,511 0.899,512 1.742,513 0.889,514 1.239,515 1.074,516 1.059,517 1.082,518 1.623,519 1.024,520 6.5,521 0.34,522 4.222,523 2.889,524 2.104,525 1.484,526 0.922,527 0.681,528 0.435,529 0.357,530 30938,531 80565,532 2.105,533 46.1,535 28,536 1,538 2,539 2,541 2,542 1.808,543 2,544 3.866,545 0.137,550 125.737,551 1.654,552 3.567,553 4.785,554 5.533,555 5.774,556 5.827,557 3.361,558 5.211,559 5.323,560 4.125,561 3382.43,562 9.42,563 62343.8,568 474.842,569 1.282,570 5.302,571 0.144,572 0.006,573 0.069,574 0.046,575 0.036,576 0.024,577 0.016,578 0.012,579 0.008,580 0.007,581 0.369,582 0.33,583 0.63,584 0.458,585 235.875,586 -0.032,587 -0.127,588 0.047,589 -0.007,590 -0.01,591 0.014,592 -0.011,593 0.045,594 -0.032,595 0.02,596 0.007,597 -0.023,598 -0.058,599 0.076,600 -0.017,601 0.047,602 -0.087,603 -0.007,604 -0.048,605 -0.077,606 0.016,607 -0.056,608 -0.081,609 -0.061,610 0.211,611 -0.046,612 0.127,613 0.007,614 0.234,615 0.061,616 -0.053,617 -0.029,618 -0.022,619 -0.029,620 -0.016,621 0.012,622 -0.093,623 0.114,625 0.059,626 -0.06,627 0.047,628 0.075,629 -0.067,630 -0.004,631 -0.048,632 0.08,633 -0.061,634 1.946,635 6.541,636 0.659,637 60.126,638 1.003,639 1.123,640 2.677,641 7.167,642 0.678,643 3.829,644 4.127,645 4.394,646 4.654,647 4.868,648 4.883,649 4.997,650 5.05,651 5.118,652 5.136,653 9.344,654 0.637,655 595.22,656 3.829,657 5.361,658 6.205,659 7.072,660 7.936,661 8.812,662 9.686,663 10.568,664 11.448,665 12.334,666 5.3,669 1,673 3,680 2,681 11,686 3,688 17,702 1,703 76,705 20,706 3,707 45,709 80,710 31,711 16,712 5,713 11,717 5,718 6,719 1,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 35,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 1,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 1,825 5.3,828 3,829 1,832 20.5,833 13.21,834 9.111,835 4.615,836 2.753,837 1.331,838 0.972,839 10.579,840 11.065,841 4.052,842 4.564,843 5.064,844 5.57,845 6.076,846 6.206,847 6.52,848 6.8,849 7.082,850 6.85,851 0.909,852 63,853 15.363,854 6.651,855 7.755,856 29.451,857 24.594,859 2.255,860 92.444,864 388.446,865 192.478,866 42.27,867 39.149,868 86.435,870 32.22,871 160.258,872 514.03,873 42.27,875 66.034,876 104.239,877 100.549,878 18.142,879 11.771,880 408.895,881 39.149,882 388.446,883 202.529,884 86.435,885 71.368,887 364.904,888 98.977,889 11,891 69.158,892 133.37,893 39.149,894 32.22,895 388.446,896 128.705,897 231.627,900 388.446,901 88.239,902 110.487,903 36.022,904 125.583,905 388.446,906 128.705,907 231.627,909 0.572,910 0.334,911 0.185,912 0.103,913 27,914 12,915 0.138,916 11,917 1,918 1.074,919 5.155,920 401.098,921 0.074,922 27,923 213.66,924 1,928 29.867,929 14.522,930 7.819,931 2.195,932 128.705,933 21.374,938 2.295,940 36.022,941 748.778,942 56.5,946 39.419,950 -0.668,952 76.254,953 85.338,954 0.265,955 0.571,956 0.766,957 0.886,958 0.924,959 0.933,960 5.29,961 1.851,962 6.168,963 5.913,964 4.812,965 5.252,966 3.944,967 6.957,968 4.72,969 6.449,970 1.642,971 7.709,972 5.388,973 4.29,974 4.956,975 2.909,976 7.83,977 4.152,978 7.73,979 1.618,980 9.357,981 4.582,982 6.375,983 7.337,984 6.086,985 10.966,986 6.199,987 9.045,988 1.54,989 11.07,990 3.793,991 6.723,992 7.919,993 5.238,994 12.739,995 6.491,996 10.397,997 1.414,998 12.828,999 3.308,1000 8.241,1001 9.783,1002 8.608,1003 15.387,1004 7.976,1005 11.775,1006 1.276,1007 14.618,1008 3.103,1009 9.009,1010 10.801,1011 7.914,1012 17.53,1013 8.68,1014 13.175,1015 1.26,1016 16.431,1017 2.848,1018 10.296,1019 12.449,1020 11.213,1021 20.018,1022 9.931,1023 3.263,1024 1.066,1025 18.263,1026 2.769,1027 11.268,1028 13.692,1029 10.72,1030 22.315,1031 10.838,1032 3.032,1033 11.453,1034 20.108,1035 2.676,1036 12.464,1037 15.242,1038 13.839,1039 24.751,1040 11.99,1041 2.747,1042 10.196,1043 21.965,1044 4.43,1045 13.532,1046 16.6,1047 13.531,1048 27.114,1049 12.995,1050 2.525,1051 8.968,1052 23.831,1053 3.871,1054 14.696,1055 18.107,1056 16.47,1057 29.535,1058 14.109,1059 2.44,1060 7.057,1061 25.704,1062 3.35,1063 15.811,1064 19.523,1065 16.323,1066 31.928,1067 15.162,1068 2.273,1069 6.965,1070 27.584,1071 2.943,1072 16.966,1073 21.012,1074 19.103,1075 34.346,1076 16.263,1077 2.073,1078 6.312,1079 29.468,1080 2.83,1081 18.104,1082 22.459,1083 19.094,1084 36.755,1085 17.339,1086 28877,1087 46822,1088 30.512,1089 51.529,1090 66.84,1091 71.272,1092 68.058,1093 66.574,1094 66.371,1095 81.997,1096 25.703,1097 185.038,1098 63.173,1099 5.493,1100 6.788,1101 6.675,1102 5.327,1103 5.263,1104 7.43,1105 7.434,1106 18.955,1107 5.028,1108 17.215,1109 1.485,1110 1.584,1111 1.512,1112 1.479,1113 1.475,1114 1.822,1115 0.571,1116 4.112,1117 1.404,1118 4.097,1119 4.12,1120 4.14,1121 4.056,1122 7.435,1123 4.051,1124 3.973,1125 3.997,1126 4.037,1127 3.919,1128 7.427,1129 3.898,1130 3.829,1131 3.891,1132 3.887,1133 3.67,1134 7.422,1135 3.66,1136 3.766,1137 3.798,1138 3.708,1139 3.616,1140 4.934,1141 3.618,1142 3.643,1143 3.697,1144 3.554,1145 3.438,1146 4.893,1147 3.448,1148 3.539,1149 3.593,1150 3.487,1151 3.402,1152 4.628,1153 3.4,1154 3.442,1155 3.49,1156 3.342,1157 3.273,1158 4.349,1159 3.281,1160 3.322,1161 3.368,1162 3.289,1163 3.144,1164 4.345,1165 3.14,1166 0.1,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.493,1172 0.098,1173 4.788,1174 0.084,1175 6.873,1176 0.255,1177 4.187,1178 0.067,1179 3.263,1180 4.43,1181 3.784,1182 11.453,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.901,1191 1.881,1192 1.99,1193 2.004,1194 1.299,1195 2.003,1196 1.766,1197 1.701,1198 1.982,1199 1.973,1200 1.176,1201 1.985,1202 1.659,1203 1.626,1204 1.828,1205 1.872,1206 1.107,1207 1.859,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.088,1213 1.816,1214 1.506,1215 1.465,1216 1.693,1217 1.683,1218 0.873,1219 1.687,1220 1.435,1221 1.379,1222 1.64,1223 1.606,1224 0.825,1225 1.633,1226 1.273,1227 1.222,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.511,1233 5.814,1234 2.398,1235 7.31,1236 4.844,1237 8.896,1238 7.018,1239 10.532,1242 6.504,1247 5.842,1248 5.934,1249 5.38,1250 1.368,1251 -1.066,1252 3.867,1257 48.388,1258 125.737,1259 271.118,1260 363.669,1261 420.478,1262 438.842,1263 442.842,1264 101.94,1265 8.312,1266 90.98,1267 116.28,1268 29,1269 12.867,1270 4.392,1271 3.644,1272 66.264,1273 222,1274 262,1275 0.136,1276 301.591,1277 534.2,1278 727.641,1279 56404,1280 1.3,1281 28.606,1282 0.698,1283 0.597,1284 29.459,1285 24.463,1286 19.991,1287 0.444,1288 0.34,1289 13.932,1290 18.591,1291 13.563,1292 11.091,1293 20.688,1294 15.32,1295 17.555,1296 0.288,1297 0.196,1298 18.542,1299 11.936,1300 14.689,1301 0.184,1302 0.115,1303 15.907,1304 9.231,1305 12.2,1306 0.117,1307 0.068,1308 13.608,1309 7.039,1310 10.024,1311 0.078,1312 0.038,1313 11.2,1314 4.935,1315 0.219,1316 131.995,1317 0.181,1318 37.217,1319 0.362,1320 212,1321 615.962,1322 271.491,1323 636.039,1324 841.51,1325 596,1326 247,1327 551.127,1328 302.256,1329 577.427,1330 850.91,1331 545,1332 4.959}
{0 CHEMBL41275,1 1.293,2 16.027,3 4.664,4 21.756,5 151.748,6 6.523,7 0.439,8 4.392,9 4.52,10 3.856,11 3.967,12 5.349,13 3.91,14 4.977,15 5.167,16 4.216,17 4.399,18 5.86,19 4.317,20 5.3,21 5.511,22 4.329,23 4.645,24 6.149,25 4.519,26 5.487,27 5.756,28 4.239,29 4.67,30 6.272,31 4.498,32 5.435,33 5.71,34 4.211,35 4.596,36 6.263,37 4.432,38 5.322,39 5.59,40 4.083,41 4.48,42 6.155,43 4.322,44 5.116,45 5.36,46 4.048,47 4.386,48 5.962,49 4.242,50 5.116,51 5.368,52 3.967,53 4.317,54 5.982,55 4.17,56 0.079,57 1.028,58 17.725,59 7.633,60 10.716,61 10.577,62 0.302,63 1.756,64 32.862,65 12.919,66 25.955,67 18.197,68 0.293,69 2.361,70 45.183,71 18.529,72 38.087,73 26.099,74 0.443,75 2.705,76 55.164,77 21.777,78 54.429,79 31.311,80 0.358,81 2.506,82 52.445,83 20.994,84 60.387,85 29.816,86 0.457,87 2.214,88 47.36,89 18.38,90 60.446,91 25.75,92 0.211,93 1.901,94 37.585,95 15.549,96 36.145,97 22.058,98 0.358,99 1.876,100 38.295,101 14.624,102 46.366,103 20.871,104 17,105 58,106 0.199,107 0.508,108 0.721,109 0.8,110 0.821,111 0.826,112 3.642,113 1.007,114 -2.4,115 -2.43,116 -2.38,119 43.4,120 1,121 5,124 2,125 3,127 1,134 1,135 1,138 11,139 6,140 1,151 1,163 24,166 3,169 1,171 3,172 32,174 3,176 2,181 4,183 31,185 2,187 4,189 1,192 3,194 24,196 2,198 5,203 3,205 27,209 4,214 2,216 1,217 27,221 4,226 2,227 24,231 4,233 1,236 4,238 20,240 1,242 2,247 2,249 15,251 2,252 2757,253 24.919,254 24.919,255 24.919,256 24.919,257 24.919,258 22.459,259 30.897,260 14.64,261 25.23,262 20.258,263 20.258,264 20.258,265 20.258,266 20.258,267 16.482,268 38.861,269 6.996,270 20.744,271 4.955,272 2.941,273 1.555,274 1.045,275 0.908,276 0.872,277 4.348,283 1,284 1301,285 3.937,288 503.163,289 122.231,293 197.108,295 2.516,296 22.852,299 1,300 0.83,301 1,302 1,303 0.5,304 1,305 1,306 0.9,307 77,308 593,309 4.41,310 3.747,311 7.307,312 4.31,313 3.39,314 4.076,315 1.26,316 12.506,317 3.123,318 4.402,319 3.607,320 6.321,321 4.032,322 3.031,323 3.71,324 1.058,325 9.687,326 3.032,327 4.172,328 3.06,329 6.09,330 3.821,331 2.823,332 3.653,333 0.86,334 8.867,335 2.816,336 4.021,337 2.776,338 5.915,339 3.647,340 2.655,341 3.395,342 0.245,343 8.276,344 2.632,345 3.891,346 2.721,347 5.492,348 3.506,349 2.505,350 3.29,352 7.291,353 2.504,354 3.62,355 2.457,356 5.19,357 3.261,358 2.262,359 2.99,361 6.393,362 2.261,363 3.422,364 2.436,365 5.04,366 3.113,367 2.139,368 2.684,370 6.079,371 2.082,372 3.01,373 2.295,374 4.764,375 2.882,376 1.94,377 2.106,379 5.135,380 1.821,381 2.969,382 2.174,383 4.492,384 2.659,385 1.659,386 2.067,388 4.525,389 1.659,390 2.908,391 1.778,392 4.287,393 2.487,394 1.477,395 2.001,397 3.966,398 1.486,399 2.713,400 1.59,401 4.051,402 2.356,403 1.349,404 1.683,406 3.454,407 1.355,408 2.5,409 1.459,410 3.632,411 2.069,412 1.186,413 1.5,415 2.748,416 1.035,417 2.5,418 1.2,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.276,427 1.01,428 3.414,429 2,430 1,431 1.198,433 2.275,434 1,435 2.196,436 1,437 3.409,438 1.969,439 1,440 1.175,442 2.193,443 0.963,444 17.967,445 0.486,446 0.974,447 0.026,448 44.25,449 1.196,450 21.5,451 0.581,452 22.75,453 0.615,454 37.77,455 1.021,456 39.933,457 0.525,458 35.686,459 0.964,460 8.484,461 0.229,462 9.386,463 0.254,464 0.102,465 0.022,466 0.278,472 0.813,473 1.261,474 0.918,475 1.105,476 0.646,477 1.03,478 1.184,479 0.964,480 0.983,481 0.901,482 0.612,483 0.914,484 0.989,485 1.183,486 1.12,487 1.148,488 0.837,489 1.144,490 0.834,491 0.989,492 1.01,493 1.001,494 0.98,495 1.013,496 0.888,497 0.965,498 0.897,499 0.964,500 1.173,501 0.937,502 1.392,503 0.823,504 0.995,505 0.856,506 1.431,507 0.892,508 0.707,509 1.12,510 0.956,511 1.089,512 0.864,513 1.049,514 1.157,515 1.034,516 1.061,517 1.015,518 1.269,519 1.024,520 8.5,521 0.267,522 4.667,523 2.25,524 2.157,525 1.25,526 0.694,527 0.57,528 0.387,529 0.326,530 24314,531 46441,532 2.11,533 51.3,534 9,535 25,538 1,541 4,542 1.776,543 1.991,544 3.931,545 -0.499,550 98.247,551 1.293,552 3.306,553 4.693,554 5.203,555 5.34,556 5.376,557 3.409,558 4.777,559 5.18,560 4.115,561 2740.57,562 9.088,563 46658.8,568 474.842,569 1.444,570 5.144,571 0.207,572 0.008,573 0.08,574 0.036,575 0.04,576 0.024,577 0.015,578 0.012,579 0.009,580 0.009,581 0.441,582 0.5,583 0.75,584 0.488,585 207.411,586 0.028,587 -0.091,588 0.067,589 -0.017,590 -0.023,591 0.02,592 -0.032,593 0.152,594 0.028,595 0.117,596 0.082,597 0.084,598 -0.084,599 -0.124,600 -0.138,601 -0.124,602 -0.031,603 -0.135,604 0.007,605 0.006,606 -0.033,607 -0.023,608 -0.003,609 -0.029,610 0.037,611 -0.006,612 0.083,613 0.019,614 0.05,615 0.051,616 -0.095,617 0.137,618 0.015,619 0.116,620 -0.098,621 0.079,622 0.042,623 -0.114,624 0.012,625 -0.077,626 0.02,627 -0.041,628 -0.01,629 -0.018,630 -0.057,631 -0.042,632 -0.045,633 -0.052,634 1.667,635 6.248,636 0.784,637 48.853,638 0.983,639 1.12,640 1.166,641 1.359,642 0.658,643 3.738,644 4.078,645 4.317,646 4.543,647 4.796,648 4.86,649 4.997,650 5.106,651 5.231,652 5.361,653 9.093,654 0.608,655 495.74,656 3.738,657 5.293,658 6.138,659 7.015,660 7.874,661 8.752,662 9.616,663 10.495,664 11.362,665 12.241,666 2.6,673 1,678 1,681 11,686 7,688 18,703 76,705 20,706 3,707 41,709 80,710 33,711 18,712 7,713 11,714 3,717 5,718 6,721 1,724 6,727 6,729 21,730 12,733 2,737 1,739 1,741 2,747 39,748 3,749 1,750 4,755 2,756 1,759 1,760 0.8,761 2,776 4,777 1,781 1,783 1,788 1,789 1,795 1,796 4,801 3,805 37,810 8,811 1,812 1,814 1,817 1,825 2.6,828 1,829 1,832 18.583,833 14.417,834 7.958,835 4.91,836 3.628,837 1.426,838 0.976,839 7.713,840 12.137,841 3.97,842 4.538,843 5.055,844 5.571,845 6.139,846 6.379,847 6.78,848 7.162,849 7.523,850 7.862,851 0.909,852 62,853 13.766,854 5.829,855 7.468,856 27.337,857 23.168,859 1.968,860 72.833,864 447.302,865 193.056,866 18.011,868 36.145,871 193.056,872 483.447,873 18.011,874 25.618,875 41.974,876 113.715,877 40.849,878 25.056,880 447.302,882 447.302,883 211.067,884 36.145,887 400.217,888 72.229,889 11,891 50.799,892 150.792,893 9.476,895 447.302,896 54.156,897 193.056,900 447.302,901 53.724,902 139.333,903 18.011,904 36.145,905 447.302,906 54.156,907 193.056,909 0.588,910 0.337,911 0.174,912 0.098,913 28,914 12,915 0.075,916 6,917 1,918 1.069,919 4.804,920 354.553,921 0.069,922 29,923 178.75,928 25.604,929 11.146,930 6.275,932 54.156,933 23.655,938 8.264,940 18.011,941 694.514,942 52,946 13.248,948 2.095,950 0.848,952 74.705,953 85.097,954 0.207,955 0.529,956 0.751,957 0.833,958 0.855,959 0.86,960 5.228,961 1.94,962 6.142,963 6.079,964 4.762,965 5.226,966 1.972,967 6.961,968 4.72,969 6.431,970 1.659,971 7.712,972 5.135,973 4.443,974 5.007,975 0.931,976 8.05,977 4.354,978 7.741,979 1.477,980 9.391,981 4.525,982 6.405,983 7.349,984 2.005,985 11.076,986 6.309,987 9.083,988 1.349,989 11.14,990 3.966,991 6.899,992 7.887,993 1.381,994 13.027,995 6.736,996 10.455,997 1.186,998 12.936,999 3.454,1000 8.358,1001 9.737,1002 2.169,1003 15.646,1004 8.179,1005 11.847,1006 1,1007 14.766,1008 2.748,1009 9.221,1010 10.628,1011 1.783,1012 17.939,1013 8.965,1014 13.254,1015 1,1016 16.624,1017 2.275,1018 10.492,1019 12.257,1020 2.412,1021 20.46,1022 10.204,1023 3.39,1024 1,1025 18.502,1026 2.275,1027 11.529,1028 13.34,1029 2.192,1030 22.889,1031 11.159,1032 3.031,1033 12.506,1034 20.398,1035 2.193,1036 12.734,1037 14.853,1038 2.713,1039 25.394,1040 12.315,1041 2.823,1042 9.687,1043 22.308,1044 4.076,1045 13.852,1046 16.05,1047 2.615,1048 27.877,1049 13.351,1050 2.655,1051 8.867,1052 24.231,1053 3.71,1054 15.04,1055 17.501,1056 3.057,1057 30.386,1058 14.475,1059 2.505,1060 8.276,1061 26.164,1062 3.653,1063 16.198,1064 18.768,1065 3.05,1066 32.891,1067 15.55,1068 2.262,1069 7.291,1070 28.105,1071 3.395,1072 17.385,1073 20.185,1074 3.435,1075 35.407,1076 16.664,1077 2.139,1078 6.393,1079 30.054,1080 3.29,1081 18.565,1082 21.496,1083 3.495,1084 37.922,1085 17.759,1086 22588,1087 31383,1088 27.622,1089 50.006,1090 61.967,1091 62.481,1092 62.156,1093 61.174,1094 61.103,1095 76.601,1096 6.846,1097 176.769,1098 59.803,1099 5.41,1100 5.747,1101 7.109,1102 5.385,1103 5.39,1104 7.076,1105 2.318,1106 19.838,1107 5.123,1108 16.8,1109 1.511,1110 1.524,1111 1.516,1112 1.492,1113 1.49,1114 1.868,1115 0.167,1116 4.311,1117 1.459,1118 4.077,1119 4.109,1120 4.018,1121 4.023,1122 7.429,1123 4.018,1124 3.986,1125 4.031,1126 3.911,1127 3.887,1128 4.84,1129 3.887,1130 3.873,1131 3.91,1132 3.797,1133 3.805,1134 4.749,1135 3.797,1136 3.829,1137 3.868,1138 3.737,1139 3.694,1140 4.616,1141 3.698,1142 3.608,1143 3.647,1144 3.531,1145 3.507,1146 4.613,1147 3.505,1148 3.525,1149 3.592,1150 3.374,1151 3.304,1152 4.28,1153 3.31,1154 3.368,1155 3.421,1156 3.236,1157 3.213,1158 4.183,1159 3.21,1160 3.145,1161 3.224,1162 2.972,1163 3.018,1164 3.904,1165 2.998,1166 0.108,1167 0.091,1168 0.178,1169 0.105,1170 0.083,1171 4.41,1172 0.099,1173 3.747,1174 0.031,1175 7.307,1176 0.305,1177 4.31,1178 0.076,1179 3.39,1180 4.076,1181 1.26,1182 12.506,1183 3.123,1184 2.015,1185 1.996,1186 2.108,1187 2.119,1188 1.458,1189 2.119,1190 1.956,1191 1.917,1192 2.104,1193 2.069,1194 1.302,1195 2.083,1196 1.83,1197 1.8,1198 1.988,1199 1.977,1200 1.217,1201 1.981,1202 1.815,1203 1.769,1204 1.962,1205 1.902,1206 1.169,1207 1.923,1208 1.717,1209 1.676,1210 1.905,1211 1.852,1212 1.08,1213 1.871,1214 1.49,1215 1.414,1216 1.769,1217 1.747,1218 0.942,1219 1.758,1220 1.347,1221 1.3,1222 1.57,1223 1.522,1224 0.825,1225 1.533,1226 1.153,1227 1.085,1228 1.513,1229 1.379,1230 0.715,1231 1.429,1232 4.419,1233 5.753,1235 7.272,1236 2.708,1237 8.869,1238 5.198,1239 10.505,1241 6.73,1247 7.702,1248 3.147,1249 5.55,1251 0.629,1254 0.964,1257 46.218,1258 98.247,1259 251.293,1260 356.65,1261 395.458,1262 405.823,1263 408.578,1264 63.669,1265 8.509,1266 38.33,1267 38.33,1268 31,1269 12.78,1270 4.392,1271 3.585,1272 57.113,1273 203,1274 196,1275 0.134,1276 281.194,1277 496.82,1278 677.874,1279 73407,1281 25.83,1282 0.698,1283 0.608,1284 25.83,1285 22.479,1286 17.87,1287 0.436,1288 0.336,1289 13.634,1290 17.459,1291 13.184,1292 10.983,1293 17.87,1294 13.759,1295 16.667,1296 0.287,1297 0.198,1298 16.667,1299 11.506,1300 13.664,1301 0.185,1302 0.111,1303 13.664,1304 8.242,1305 11.067,1306 0.119,1307 0.063,1308 11.067,1309 5.858,1310 9.266,1311 0.077,1312 0.034,1313 9.266,1314 4.053,1315 0.217,1316 110.028,1317 0.19,1318 34.355,1319 0.347,1320 198,1321 428.137,1322 207.589,1323 424.535,1324 590.76,1325 400,1326 231,1327 436.498,1328 241.48,1329 452.506,1330 656.44,1331 425,1332 5}
{0 CHEMBL415902,1 1.69,2 16.545,3 4.806,4 23.093,5 175.863,6 8.196,7 0.375,8 4.467,9 4.578,10 4.137,11 4.056,12 5.524,13 4.009,14 5.039,15 5.201,16 4.53,17 4.474,18 6.074,19 4.391,20 5.321,21 5.52,22 4.624,23 4.639,24 6.321,25 4.519,26 5.374,27 5.585,28 4.721,29 4.65,30 6.399,31 4.515,32 5.384,33 5.607,34 4.638,35 4.611,36 6.527,37 4.501,38 5.393,39 5.611,40 4.627,41 4.598,42 6.493,43 4.481,44 5.358,45 5.577,46 4.585,47 4.527,48 6.518,49 4.428,50 5.263,51 5.453,52 4.602,53 4.494,54 6.541,55 4.391,56 0.055,57 1.126,58 15.236,59 7.6,60 10.396,61 9.516,62 0.467,63 1.905,64 34.913,65 13.377,66 40.735,67 16.652,68 0.738,69 2.324,70 54.079,71 18.87,72 81.381,73 23.258,74 0.772,75 2.421,76 67.474,77 20.52,78 92.624,79 25.114,80 0.9,81 2.445,82 57.933,83 19.894,84 136.471,85 25.499,86 0.844,87 2.386,88 64.691,89 20.022,90 110.088,91 24.779,92 0.96,93 2.271,94 58.514,95 18.327,96 125.807,97 22.438,98 1.012,99 2.056,100 55.984,101 17.829,102 158.898,103 21.086,104 26,105 65,106 0.257,107 0.547,108 0.736,109 0.852,110 0.879,111 0.884,112 3.81,113 1.029,114 -4.65,115 -4.57,116 -4.3,119 41.3,121 2,125 8,127 1,128 1,138 12,139 4,140 2,151 3,163 15,165 1,166 4,169 2,171 3,172 25,175 2,176 4,179 1,181 2,183 18,187 7,190 1,192 4,194 18,197 3,198 7,201 3,203 5,205 11,208 1,209 10,214 5,217 12,220 1,221 10,224 1,226 5,227 8,230 1,231 10,234 2,235 1,236 3,238 9,241 2,242 10,247 1,249 10,252 4934,253 29.896,254 29.896,255 29.896,256 29.896,257 29.896,258 27.237,259 30.676,260 18.084,261 30.71,262 23.731,263 23.731,264 23.731,265 23.731,266 23.731,267 19.693,268 34.804,269 8.66,270 25.105,271 4.632,272 2.721,273 1.477,274 0.714,275 0.534,276 0.5,277 4.512,279 2,283 1,284 1573,285 4.416,287 140.76,288 666.099,295 2.798,296 52.83,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 94.667,308 728,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 4.028,315 3.784,316 11.459,317 3.014,318 4.37,319 3.669,320 6.5,321 4.013,322 3.015,323 3.947,324 1.963,325 10.179,326 3.004,327 4.108,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.721,337 3.514,338 5.511,339 3.454,340 2.525,341 3.192,342 1.859,343 7.123,344 2.408,345 3.656,346 3.259,347 5.34,348 3.425,349 2.452,350 2.869,351 0.901,352 6.965,353 2.313,354 3.581,355 3.09,356 5.255,357 3.293,358 2.302,359 2.812,360 0.86,361 6.427,362 2.268,363 3.516,364 3.001,365 5.133,366 3.197,367 2.223,368 2.712,369 0.8,370 6.215,371 2.181,372 3.482,373 2.885,374 4.987,375 3.058,376 2.122,377 2.519,378 0.561,379 5.841,380 1.881,381 2.99,382 2.649,383 4.807,384 2.666,385 1.762,386 2.193,387 0.215,388 5.056,389 1.584,390 2.977,391 2.362,392 4.59,393 2.555,394 1.614,395 2.097,397 4.407,398 1.534,399 2.916,400 2.176,401 4.123,402 2.518,403 1.57,404 2.07,406 3.695,407 1.474,408 2.736,409 1.819,410 3.998,411 2.472,412 1.519,413 1.749,415 3.308,416 1.422,417 2.611,418 1.723,419 3.715,420 2.398,421 1.459,422 1.604,424 3.125,425 1.27,426 2.561,427 1.68,428 3.641,429 2.177,430 1.259,431 1.514,433 3.084,434 1.137,435 2.5,436 1.677,437 3.472,438 2.112,439 1.174,440 1.5,442 2.703,443 1.059,444 21.695,445 0.493,446 0.959,447 0.022,448 50.75,449 1.153,450 22.5,451 0.511,452 28.25,453 0.642,454 49.463,455 1.124,456 47.905,457 0.599,458 44.337,459 1.008,460 9.886,461 0.225,462 11.499,463 0.261,464 0.112,466 0.29,472 0.681,473 1.299,474 0.638,475 0.955,476 0.524,477 0.926,478 0.871,479 1.114,480 0.863,481 0.969,482 0.589,483 0.962,484 1.04,485 0.971,486 0.987,487 0.967,488 1.051,489 0.985,490 0.959,491 1.08,492 0.931,493 1.059,494 1.141,495 1.019,496 0.746,497 1.033,498 0.757,499 0.953,500 0.841,501 0.902,502 1.089,503 1.059,504 0.938,505 1.012,506 1.242,507 0.989,508 1.34,509 0.907,510 0.915,511 0.868,512 1.598,513 0.881,514 1.217,515 1.042,516 1.081,517 1.076,518 1.57,519 1.004,520 7.5,521 0.385,522 4.444,523 3.201,524 2.193,525 1.671,526 1.09,527 0.848,528 0.501,529 0.453,530 36753,531 102147,532 2.084,533 45,535 29,536 1,538 2,539 2,541 2,542 1.825,543 1.97,544 3.95,545 0.126,550 135.172,551 1.69,552 3.601,553 4.845,554 5.608,555 5.787,556 5.822,557 3.462,558 5.05,559 5.425,560 4.189,561 3963.25,562 9.63,563 76936.5,568 505.754,569 1.325,570 5.399,571 0.156,572 0.007,573 0.068,574 0.048,575 0.034,576 0.024,577 0.017,578 0.014,579 0.008,580 0.008,581 0.384,582 0.17,583 0.63,584 0.481,585 258.317,586 -0.034,587 -0.119,588 0.033,589 -0.006,590 -0.013,591 0.013,592 -0.015,593 0.039,594 -0.022,595 0.025,596 0.014,597 -0.021,598 -0.072,599 0.075,600 -0.037,601 0.04,602 -0.096,603 -0.012,604 -0.011,605 -0.054,606 0.085,607 -0.016,608 -0.058,609 -0.027,610 0.191,611 -0.019,612 0.116,613 0.031,614 0.217,615 0.078,616 -0.019,617 -0.059,618 0.026,619 -0.034,620 -0.023,621 -0.018,622 -0.077,623 0.093,624 0.034,625 0.079,626 -0.065,627 0.063,628 0.092,629 -0.046,630 -0.004,631 -0.046,632 0.108,633 -0.041,634 1.995,635 6.646,636 0.659,637 67.331,638 1.006,639 1.121,640 3.424,641 11.722,642 0.689,643 3.892,644 4.19,645 4.443,646 4.7,647 4.913,648 4.942,649 5.05,650 5.118,651 5.182,652 5.215,653 9.753,654 0.647,655 655.7,656 3.892,657 5.425,658 6.263,659 7.13,660 7.989,661 8.865,662 9.735,663 10.617,664 11.494,665 12.38,666 5,669 1,673 3,681 12,686 6,688 18,702 2,703 80,705 21,706 3,707 48,709 84,710 33,711 18,712 6,713 12,717 5,718 5,719 2,724 1,727 3,729 21,730 12,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 4,783 2,784 1,792 1,795 1,796 5,797 1,799 1,802 2,805 44,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5,828 3,829 1,832 22.333,833 13.936,834 9.778,835 4.817,836 2.839,837 1.338,838 0.968,839 12.014,840 11.238,841 4.111,842 4.61,843 5.074,844 5.554,845 6.041,846 6.122,847 6.408,848 6.682,849 6.885,850 6.985,851 1,852 67,853 16.466,854 7.107,855 7.778,856 31.426,857 26.071,859 2.278,860 100.222,864 400.217,865 206.68,866 42.27,867 78.297,868 86.435,870 32.22,871 174.46,872 564.949,873 42.27,875 66.034,876 113.715,877 100.549,878 22.868,879 11.771,880 420.666,881 78.297,882 400.217,883 216.731,884 86.435,885 110.517,887 376.675,888 98.977,889 11,891 69.158,892 147.572,893 78.297,894 32.22,895 400.217,896 128.705,897 284.977,900 400.217,901 92.965,902 119.964,903 36.022,904 164.732,905 400.217,906 128.705,907 284.977,909 0.572,910 0.33,911 0.182,912 0.103,913 28,914 13,915 0.143,916 12,918 1,919 5.346,920 440.675,922 29,923 232.215,924 1,928 32.798,929 16.118,930 9.004,932 128.705,933 23.019,938 4.644,940 36.022,941 813.9,942 60,946 39.738,950 -0.762,952 80.461,953 89.697,954 0.267,955 0.57,956 0.766,957 0.887,958 0.915,959 0.921,960 5.349,961 2.122,962 6.229,963 6.215,964 4.875,965 5.298,966 3.944,967 7.013,968 4.769,969 6.508,970 1.762,971 7.768,972 5.841,973 4.369,974 4.956,975 2.909,976 7.872,977 4.189,978 7.785,979 1.614,980 9.411,981 5.056,982 6.435,983 7.326,984 6.086,985 11.003,986 6.239,987 9.092,988 1.57,989 11.119,990 4.407,991 6.781,992 7.802,993 5.238,994 12.76,995 6.514,996 10.434,997 1.519,998 12.872,999 3.695,1000 8.291,1001 9.664,1002 8.608,1003 15.408,1004 8.003,1005 11.801,1006 1.459,1007 14.655,1008 3.308,1009 9.051,1010 10.538,1011 7.914,1012 17.541,1013 8.691,1014 13.186,1015 1.259,1016 16.463,1017 3.125,1018 10.334,1019 12.177,1020 11.213,1021 20.03,1022 9.944,1023 3.266,1024 1.174,1025 18.29,1026 3.084,1027 11.298,1028 13.265,1029 10.72,1030 22.323,1031 10.838,1032 3.015,1033 11.459,1034 20.131,1035 2.703,1036 12.491,1037 14.791,1038 13.839,1039 24.759,1040 11.989,1041 2.796,1042 10.179,1043 21.984,1044 4.028,1045 13.554,1046 16.002,1047 13.531,1048 27.12,1049 12.985,1050 2.525,1051 9.037,1052 23.847,1053 3.947,1054 14.715,1055 17.464,1056 16.47,1057 29.541,1058 14.097,1059 2.452,1060 7.123,1061 25.718,1062 3.387,1063 15.827,1064 18.746,1065 16.323,1066 31.934,1067 15.142,1068 2.302,1069 6.965,1070 27.595,1071 3.192,1072 16.981,1073 20.174,1074 19.103,1075 34.352,1076 16.24,1077 2.223,1078 6.427,1079 29.478,1080 2.869,1081 18.117,1082 21.498,1083 19.094,1084 36.761,1085 17.311,1086 34546,1087 57899,1088 32.304,1089 55.148,1090 71.376,1091 75.866,1092 72.547,1093 71.132,1094 70.736,1095 86.93,1096 25.703,1097 196.766,1098 66.703,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.028,1105 7.434,1106 18.973,1107 5.014,1108 20.412,1109 1.487,1110 1.581,1111 1.511,1112 1.482,1113 1.474,1114 1.811,1115 0.535,1116 4.099,1117 1.39,1118 4.034,1119 4.061,1120 4.168,1121 3.982,1122 7.435,1123 3.974,1124 3.963,1125 3.984,1126 3.969,1127 3.92,1128 7.427,1129 3.901,1130 3.829,1131 3.89,1132 3.945,1133 3.697,1134 7.422,1135 3.688,1136 3.78,1137 3.812,1138 3.708,1139 3.67,1140 5.015,1141 3.658,1142 3.745,1143 3.777,1144 3.676,1145 3.615,1146 4.835,1147 3.617,1148 3.631,1149 3.683,1150 3.582,1151 3.413,1152 4.629,1153 3.43,1154 3.494,1155 3.549,1156 3.547,1157 3.286,1158 4.627,1159 3.297,1160 3.327,1161 3.374,1162 3.439,1163 3.137,1164 4.614,1165 3.135,1166 0.092,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.432,1172 0.084,1173 4.788,1174 0.079,1175 6.875,1176 0.239,1177 4.19,1178 0.063,1179 3.266,1180 4.028,1181 3.784,1182 11.459,1183 3.014,1184 2.001,1185 1.979,1186 2.1,1187 2.067,1188 1.299,1189 2.079,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.245,1195 2.002,1196 1.771,1197 1.738,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.765,1203 1.701,1204 1.916,1205 1.887,1206 1.106,1207 1.894,1208 1.648,1209 1.615,1210 1.825,1211 1.852,1212 1.087,1213 1.848,1214 1.581,1215 1.528,1216 1.777,1217 1.79,1218 0.982,1219 1.795,1220 1.437,1221 1.381,1222 1.642,1223 1.665,1224 0.868,1225 1.667,1226 1.267,1227 1.213,1228 1.513,1229 1.487,1230 0.825,1231 1.498,1232 4.575,1233 5.878,1234 2.398,1235 7.368,1236 4.844,1237 8.946,1238 7.018,1239 10.572,1242 12.676,1247 5.622,1248 5.934,1249 5.385,1250 1.329,1251 -1.187,1252 3.824,1257 51.742,1258 135.172,1259 288.098,1260 387.615,1261 448.635,1262 462.999,1263 465.754,1264 116.908,1265 8.399,1266 90.98,1267 116.28,1268 29,1269 12.914,1270 4.459,1271 3.7,1272 73.84,1273 251,1274 292,1275 0.135,1276 326.181,1277 581.37,1278 787.641,1279 63020,1280 2.5,1281 30.89,1282 0.702,1283 0.606,1284 32.244,1285 26.674,1286 21.385,1287 0.446,1288 0.343,1289 14.728,1290 19.676,1291 14.303,1292 11.697,1293 22.371,1294 16.464,1295 18.896,1296 0.291,1297 0.198,1298 20.291,1299 12.902,1300 15.509,1301 0.185,1302 0.116,1303 16.962,1304 9.729,1305 12.891,1306 0.118,1307 0.068,1308 14.727,1309 7.466,1310 10.445,1311 0.077,1312 0.038,1313 11.767,1314 5.143,1315 0.217,1316 143.534,1317 0.176,1318 39.319,1319 0.359,1320 226,1321 668.165,1322 301.01,1323 717.292,1324 938.8,1325 670,1326 262,1327 595.99,1328 327.014,1329 633.173,1330 930.43,1331 597,1332 5.222}
{0 CHEMBL416069,1 1.528,2 15.8,3 3.343,4 11.173,5 158.755,6 6.913,7 0.25,8 4.48,9 4.607,10 4.011,11 4.017,12 5.428,13 3.96,14 5.099,15 5.288,16 4.383,17 4.46,18 6.004,19 4.359,20 5.416,21 5.652,22 4.456,23 4.635,24 6.275,25 4.491,26 5.462,27 5.712,28 4.427,29 4.625,30 6.329,31 4.464,32 5.439,33 5.691,34 4.452,35 4.556,36 6.476,37 4.416,38 5.402,39 5.65,40 4.319,41 4.499,42 6.361,43 4.368,44 5.378,45 5.618,46 4.335,47 4.454,48 6.431,49 4.346,50 5.318,51 5.541,52 4.344,53 4.45,54 6.44,55 4.328,56 0.047,57 1.199,58 19.68,59 8.277,60 8.169,61 11.164,62 0.451,63 2.035,64 41.155,65 14.397,66 36.164,67 19.751,68 0.673,69 2.528,70 58.567,71 20.014,72 64.487,73 27.12,74 0.602,75 2.602,76 64.143,77 20.901,78 73.007,79 28.363,80 0.904,81 2.479,82 62.085,83 19.518,84 131.737,85 26.991,86 0.667,87 2.343,88 58.141,89 18.224,90 82.998,91 24.977,92 0.827,93 2.239,94 55.891,95 16.78,96 104.598,97 22.844,98 0.846,99 2.158,100 53.741,101 17.124,102 131.757,103 22.582,104 10,105 59,106 0.233,107 0.506,108 0.724,109 0.833,110 0.861,111 0.868,112 3.717,113 1.076,114 -3.41,115 -3.39,116 -3.24,119 37.8,121 7,122 1,125 8,127 1,128 1,138 7,139 3,151 3,163 17,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 17,187 6,190 1,192 4,194 10,197 3,198 9,201 3,203 5,205 7,208 1,209 9,214 5,217 6,220 1,221 11,224 1,226 4,227 8,230 1,231 8,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 3860,253 27.534,254 27.534,255 27.534,256 27.534,257 27.534,258 25.833,259 26.483,260 16.791,261 28.102,262 21.781,263 21.781,264 21.781,265 21.781,266 21.781,267 19.074,268 31.324,269 8.042,270 22.659,271 4.83,272 3.034,273 1.606,274 0.89,275 0.707,276 0.659,277 4.424,283 1,284 1379,285 4.301,287 125.267,288 557.084,292 216.568,295 2.84,296 43.903,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 86,308 632,309 4.493,310 4.754,311 6.817,312 4.161,313 3.235,314 4.43,315 3.508,316 11.254,317 3.028,318 4.32,319 3.622,320 6.506,321 4.03,322 3.031,323 3.448,324 1.961,325 10.196,326 2.993,327 3.727,328 3.611,329 5.934,330 3.57,331 2.58,332 2.947,333 1.909,334 8.217,335 2.547,336 3.634,337 3.483,338 5.376,339 3.447,340 2.525,341 2.832,342 1.741,343 6.967,344 2.392,345 3.553,346 3.13,347 5.34,348 3.399,349 2.411,350 2.751,351 0.86,352 6.842,353 2.307,354 3.517,355 3.096,356 5.214,357 3.258,358 2.259,359 2.595,360 0.8,361 6.311,362 2.241,363 3.451,364 2.885,365 4.986,366 3.061,367 2.059,368 2.519,369 0.734,370 5.845,371 2.06,372 3.118,373 2.29,374 4.763,375 2.73,376 1.765,377 2.427,378 0.561,379 4.963,380 1.692,381 2.835,382 2.222,383 4.404,384 2.618,385 1.623,386 1.904,387 0.167,388 4.046,389 1.618,390 2.77,391 2.176,392 4.161,393 2.556,394 1.618,395 1.829,397 3.792,398 1.509,399 2.678,400 1.807,401 3.717,402 2.445,403 1.533,404 1.661,406 3.308,407 1.384,408 2.61,409 1.678,410 3.6,411 2.275,412 1.276,413 1.598,415 2.847,416 1.274,417 2.403,418 1.618,419 3.564,420 2.179,421 1.26,422 1.36,424 2.73,425 1.138,426 2.317,427 1.353,428 3.45,429 2.034,430 1.077,431 1.296,433 2.625,434 1.013,435 2.207,436 1.349,437 3.393,438 2,439 1.004,440 1.145,442 2.305,443 1,444 19.267,445 0.482,446 0.763,447 0.019,448 40.25,449 1.006,450 14.5,451 0.363,452 25.75,453 0.644,454 48.574,455 1.214,456 45.533,457 0.555,458 31.547,459 0.789,460 7.11,461 0.178,462 12.47,463 0.312,464 0.052,466 0.275,472 0.719,473 1.396,474 0.837,475 1.131,476 0.511,477 1.072,478 0.885,479 1.173,480 1.093,481 1.113,482 0.56,483 1.081,484 0.97,485 0.994,486 1.075,487 1.034,488 0.951,489 1.019,490 0.969,491 1.093,492 1.168,493 1.153,494 1.079,495 1.048,496 0.821,497 1.062,498 1.012,499 1.077,500 0.894,501 0.964,502 1.322,503 1.038,504 1.12,505 1.032,506 1.508,507 0.979,508 1.717,509 0.877,510 1.082,511 0.862,512 2.05,513 0.898,514 1.516,515 1.023,516 1.163,517 1.022,518 1.946,519 1.011,520 6,521 0.323,522 3.778,523 2.576,524 1.913,525 1.292,526 0.84,527 0.587,528 0.386,529 0.337,530 29603,531 65763,532 2.123,533 51.2,534 10,535 24,536 1,538 2,539 2,541 3,542 1.801,543 2.034,544 3.883,545 0.124,550 125.262,551 1.528,552 3.324,553 4.752,554 5.467,555 5.65,556 5.699,557 3.373,558 4.903,559 5.288,560 4.133,561 3223.68,562 9.344,563 58773.9,568 521.319,569 1.196,570 5.274,571 0.136,572 0.006,573 0.064,574 0.043,575 0.034,576 0.022,577 0.016,578 0.011,579 0.007,580 0.007,581 0.347,582 0.33,583 0.63,584 0.413,585 229.085,586 -0.014,587 -0.131,588 0.073,589 -0.007,590 0.01,591 0.017,592 0.021,593 0.004,594 -0.04,595 -0.019,596 0.029,597 -0.052,598 -0.019,599 0.054,600 -0.016,601 0.018,602 -0.047,603 -0.013,604 -0.042,605 -0.065,606 -0.029,607 -0.067,608 -0.045,609 -0.041,610 0.225,611 -0.056,612 0.091,613 -0.04,614 0.236,615 0.021,616 -0.097,617 -0.041,618 -0.053,619 -0.038,620 -0.09,621 -0.015,622 -0.182,623 0.114,624 -0.042,625 0.073,626 -0.162,627 0.03,628 -0.04,629 -0.016,630 -0.056,631 -0.002,632 -0.026,633 -0.048,634 1.796,635 6.542,636 0.675,637 59.025,638 0.995,639 1.13,640 2.175,641 4.732,642 0.646,643 3.807,644 4.094,645 4.357,646 4.615,647 4.828,648 4.828,649 4.942,650 5.004,651 5.069,652 5.075,653 9.358,654 0.599,655 566.84,656 3.807,657 5.333,658 6.172,659 7.034,660 7.893,661 8.765,662 9.634,663 10.511,664 11.387,665 12.268,666 4.9,669 1,673 3,680 2,681 7,686 1,688 11,703 82,705 14,706 2,707 44,709 86,710 31,711 10,712 3,713 7,717 5,718 6,724 6,725 1,727 8,729 13,730 18,731 1,733 3,737 3,741 3,747 42,748 8,749 2,750 9,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 40,810 15,811 2,812 1,813 1,814 3,815 2,825 4.9,828 3,829 1,832 19.667,833 14.067,834 8.917,835 5.378,836 2.144,837 1.26,838 0.959,839 10.78,840 10.391,841 3.98,842 4.437,843 4.894,844 5.374,845 5.858,846 6.001,847 6.309,848 6.581,849 6.864,850 6.511,851 0.909,852 60,853 15.06,854 6.508,855 7.646,856 29.529,857 25.176,859 2.146,860 85.833,864 470.844,865 160.559,866 42.27,868 86.435,870 32.22,871 128.34,872 557.279,873 42.27,875 78.707,876 66.334,877 100.549,878 11.456,879 11.771,880 491.293,882 470.844,883 170.61,884 86.435,885 32.22,887 435.531,888 110.748,889 11,891 81.831,892 88.779,894 32.22,895 470.844,896 128.705,897 160.559,900 470.844,901 94.226,902 72.582,903 36.022,904 86.435,905 470.844,906 128.705,907 160.559,909 0.568,910 0.33,911 0.184,912 0.103,913 26,914 11,915 0.128,916 11,917 1,918 1.074,919 5.138,920 384.593,921 0.074,922 27,923 202.877,924 1,928 29.378,929 14.677,930 8.01,931 2.261,932 128.705,933 14.228,938 1.059,940 36.022,941 760.108,942 52.5,946 39.418,950 -0.322,952 81.581,953 92.64,954 0.24,955 0.523,956 0.747,957 0.86,958 0.889,959 0.896,960 5.224,961 1.765,962 6.125,963 5.845,964 4.779,965 5.124,966 3.852,967 6.901,968 4.706,969 6.355,970 1.623,971 7.655,972 4.963,973 4.205,974 4.796,975 2.604,976 7.74,977 4.114,978 7.621,979 1.618,980 9.291,981 4.046,982 6.326,983 7.133,984 5.853,985 10.876,986 6.18,987 8.92,988 1.533,989 10.994,990 3.792,991 6.635,992 7.722,993 4.477,994 12.63,995 6.455,996 10.259,997 1.276,998 12.743,999 3.308,1000 8.175,1001 9.548,1002 8.229,1003 15.271,1004 7.95,1005 11.625,1006 1.26,1007 14.525,1008 2.847,1009 8.916,1010 10.595,1011 6.673,1012 17.4,1013 8.643,1014 13.014,1015 1.077,1016 16.331,1017 2.73,1018 10.213,1019 12.223,1020 10.695,1021 19.878,1022 9.898,1023 3.235,1024 1.004,1025 18.155,1026 2.625,1027 11.168,1028 13.499,1029 9.187,1030 22.163,1031 10.798,1032 3.031,1033 11.254,1034 19.994,1035 2.305,1036 12.367,1037 15.046,1038 13.184,1039 24.588,1040 11.952,1041 2.58,1042 10.196,1043 21.845,1044 4.43,1045 13.425,1046 16.433,1047 11.819,1048 26.938,1049 12.954,1050 2.525,1051 8.217,1052 23.705,1053 3.448,1054 14.588,1055 17.945,1056 15.68,1057 29.346,1058 14.068,1059 2.411,1060 6.967,1061 25.573,1062 2.947,1063 15.696,1064 19.385,1065 14.466,1066 31.725,1067 15.119,1068 2.259,1069 6.842,1070 27.448,1071 2.832,1072 16.848,1073 20.882,1074 18.178,1075 34.129,1076 16.22,1077 2.059,1078 6.311,1079 29.327,1080 2.751,1081 17.98,1082 22.347,1083 17.102,1084 36.522,1085 17.295,1086 27541,1087 41235,1088 30.107,1089 52.955,1090 65.109,1091 69.56,1092 65.858,1093 64.782,1094 64.782,1095 76.049,1096 24.482,1097 178.409,1098 62.389,1099 5.493,1100 6.754,1101 6.619,1102 5.299,1103 5.235,1104 7.43,1105 6.971,1106 18.604,1107 5.028,1108 14.584,1109 1.48,1110 1.581,1111 1.497,1112 1.472,1113 1.472,1114 1.728,1115 0.556,1116 4.055,1117 1.418,1118 4.097,1119 4.121,1120 4.095,1121 4.056,1122 7.435,1123 4.051,1124 3.957,1125 3.999,1126 4.03,1127 3.864,1128 7.427,1129 3.836,1130 3.825,1131 3.889,1132 3.708,1133 3.638,1134 7.422,1135 3.636,1136 3.759,1137 3.805,1138 3.659,1139 3.615,1140 4.898,1141 3.61,1142 3.643,1143 3.697,1144 3.553,1145 3.439,1146 4.628,1147 3.448,1148 3.543,1149 3.599,1150 3.482,1151 3.402,1152 4.349,1153 3.4,1154 3.444,1155 3.492,1156 3.34,1157 3.279,1158 4.317,1159 3.286,1160 3.326,1161 3.373,1162 3.241,1163 3.147,1164 4.193,1165 3.143,1166 0.102,1167 0.108,1168 0.155,1169 0.095,1170 0.074,1171 4.493,1172 0.101,1173 4.754,1174 0.08,1175 6.817,1176 0.256,1177 4.161,1178 0.069,1179 3.235,1180 4.43,1181 3.508,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.515,1189 2.147,1190 1.89,1191 1.839,1192 2.101,1193 2.029,1194 1.325,1195 2.057,1196 1.766,1197 1.701,1198 1.986,1199 2,1200 1.298,1201 2,1202 1.659,1203 1.626,1204 1.83,1205 1.879,1206 1.112,1207 1.863,1208 1.591,1209 1.535,1210 1.795,1211 1.822,1212 1.097,1213 1.818,1214 1.506,1215 1.465,1216 1.697,1217 1.692,1218 1.012,1219 1.697,1220 1.451,1221 1.392,1222 1.658,1223 1.61,1224 0.83,1225 1.64,1226 1.285,1227 1.234,1228 1.513,1229 1.472,1230 0.825,1231 1.493,1232 4.489,1233 5.784,1234 2.398,1235 7.272,1236 4.844,1237 8.849,1238 7.018,1239 10.475,1247 12.14,1248 6.058,1249 5.395,1250 1.592,1251 -0.114,1252 4.117,1257 49.141,1258 125.262,1259 272.532,1260 389.629,1261 448.3,1262 463.319,1263 467.319,1264 97.698,1265 8.247,1266 90.98,1267 116.28,1268 29,1269 12.805,1270 3.907,1271 3.248,1272 63.856,1273 218,1274 252,1275 0.134,1276 302.04,1277 537.81,1278 728.738,1279 52705,1281 27.736,1282 0.693,1283 0.603,1284 28.089,1285 24.132,1286 19.581,1287 0.445,1288 0.359,1289 14.747,1290 18.473,1291 14.412,1292 11.807,1293 19.989,1294 15.787,1295 17.028,1296 0.289,1297 0.212,1298 17.643,1299 12.48,1300 14.216,1301 0.185,1302 0.129,1303 15.091,1304 9.955,1305 11.831,1306 0.118,1307 0.078,1308 12.847,1309 7.801,1310 9.787,1311 0.079,1312 0.047,1313 10.687,1314 5.819,1315 0.216,1316 126.356,1317 0.182,1318 36.597,1319 0.354,1320 206,1321 549.759,1322 249.971,1323 539.603,1324 721.87,1325 508,1326 239,1327 488.265,1328 282.545,1329 502.077,1330 740.42,1331 475,1332 4}
{0 CHEMBL417712,1 1.644,2 15.821,3 2.82,4 7.953,5 156.401,6 7.765,7 0.372,8 4.38,9 4.493,10 4.041,11 3.966,12 5.406,13 3.907,14 4.961,15 5.128,16 4.416,17 4.388,18 5.955,19 4.29,20 5.223,21 5.43,22 4.476,23 4.515,24 6.181,25 4.38,26 5.267,27 5.488,28 4.445,29 4.512,30 6.244,31 4.371,32 5.28,33 5.513,34 4.453,35 4.452,36 6.418,37 4.325,38 5.221,39 5.453,40 4.328,41 4.373,42 6.271,43 4.251,44 5.16,45 5.382,46 4.336,47 4.315,48 6.29,49 4.214,50 5.077,51 5.268,52 4.315,53 4.33,54 6.275,55 4.204,56 0.028,57 1.077,58 15.857,59 7.349,60 8.398,61 9.083,62 0.428,63 1.841,64 35.451,65 12.911,66 36.177,67 15.852,68 0.646,69 2.222,70 53.008,71 17.714,72 66.453,73 21.286,74 0.513,75 2.279,76 51.603,77 18.104,78 70.808,79 22.591,80 0.85,81 2.251,82 56.028,83 18.232,84 128.223,85 22.971,86 0.589,87 2.1,88 51.422,89 16.587,90 80.248,91 20.681,92 0.717,93 1.96,94 47.865,95 14.889,96 94.2,97 18.057,98 0.647,99 1.846,100 44.504,101 15.523,102 112.902,103 18.039,104 10,105 58,106 0.254,107 0.561,108 0.761,109 0.862,110 0.882,111 0.89,112 3.693,113 1.06,114 -3.14,115 -3.14,116 -3.01,119 39.7,121 2,125 8,127 1,128 1,138 9,139 3,147 1,148 1,151 3,163 12,165 1,166 3,169 2,171 3,172 17,175 2,176 5,179 1,181 2,183 14,187 4,190 1,192 4,194 8,197 3,198 7,201 3,203 4,205 6,208 1,209 7,214 4,217 5,220 1,221 9,224 1,226 3,227 6,230 1,231 6,234 2,235 1,236 1,238 7,241 2,242 7,249 6,252 3555,253 26.827,254 26.827,255 26.827,256 26.827,257 26.827,258 24.529,259 28.818,260 16.291,261 27.6,262 21.281,263 21.281,264 21.281,265 21.281,266 21.281,267 17.731,268 33.945,269 7.792,270 22.496,271 4.546,272 2.567,273 1.271,274 0.623,275 0.493,276 0.438,277 4.398,283 1,284 1349,285 4.301,287 237.744,288 406.678,292 210.812,295 2.893,296 42.801,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.5,305 0.5,306 0.71,307 84,308 617,309 4.493,310 4.786,311 6.817,312 4.153,313 3.236,314 4.43,315 3.784,316 11.254,317 3.028,318 4.363,319 3.65,320 6.506,321 4.03,322 3.031,323 3.668,324 1.963,325 10.196,326 2.965,327 3.903,328 3.615,329 5.937,330 3.538,331 2.59,332 3.274,333 1.909,334 8.225,335 2.459,336 3.695,337 3.503,338 5.378,339 3.446,340 2.525,341 2.942,342 1.859,343 6.967,344 2.344,345 3.591,346 3.176,347 5.34,348 3.388,349 2.415,350 2.83,351 0.901,352 6.847,353 2.295,354 3.517,355 3.101,356 5.214,357 3.254,358 2.26,359 2.713,360 0.86,361 6.311,362 2.223,363 3.463,364 2.885,365 4.986,366 3.059,367 2.059,368 2.519,369 0.8,370 5.847,371 2.056,372 3.118,373 2.292,374 4.766,375 2.68,376 1.747,377 2.427,378 0.561,379 4.972,380 1.618,381 2.991,382 2.28,383 4.414,384 2.618,385 1.618,386 2.072,387 0.215,388 4.05,389 1.612,390 2.771,391 2.176,392 4.161,393 2.525,394 1.601,395 1.904,397 3.792,398 1.476,399 2.707,400 1.807,401 3.717,402 2.391,403 1.499,404 1.701,406 3.308,407 1.31,408 2.611,409 1.678,410 3.599,411 2.274,412 1.276,413 1.6,415 2.847,416 1.272,417 2.403,418 1.618,419 3.501,420 2.179,421 1.26,422 1.36,424 2.711,425 1.138,426 2.327,427 1.353,428 3.395,429 1.995,430 1.005,431 1.297,433 2.306,434 0.991,435 2.272,436 1.256,437 3.348,438 1.952,439 1,440 1.15,442 2.136,443 0.946,444 19.1,445 0.49,446 0.763,447 0.02,448 43.75,449 1.122,450 18.5,451 0.474,452 25.25,453 0.647,454 41.982,455 1.076,456 42.7,457 0.585,458 35.072,459 0.899,460 8.328,461 0.214,462 10.753,463 0.276,464 0.052,466 0.277,472 0.724,473 1.28,474 0.754,475 0.979,476 0.522,477 0.959,478 0.934,479 1.08,480 1.056,481 1.009,482 0.596,483 0.989,484 1.064,485 0.981,486 1.049,487 1.004,488 1.067,489 1.014,490 1.027,491 1.062,492 0.984,493 1.02,494 1.195,495 1.028,496 0.793,497 1.028,498 0.943,499 1.036,500 0.877,501 0.942,502 1.208,503 1.044,504 1,505 1.008,506 1.343,507 0.961,508 1.553,509 0.867,510 0.993,511 0.859,512 1.788,513 0.855,514 1.287,515 1.071,516 1.195,517 1.115,518 1.616,519 1.052,520 6,521 0.315,522 3.778,523 2.417,524 1.882,525 1.226,526 0.819,527 0.553,528 0.373,529 0.319,530 28041,531 71106,532 2.126,533 46.6,535 26,536 2,538 2,539 2,541 2,542 1.794,543 2.035,544 3.877,545 0.162,550 120.002,551 1.644,552 3.623,553 4.919,554 5.566,555 5.697,556 5.751,557 3.37,558 4.958,559 5.251,560 4.131,561 3061.09,562 9.264,563 54947.3,568 451.857,569 1.211,570 5.237,571 0.14,572 0.006,573 0.065,574 0.042,575 0.034,576 0.022,577 0.016,578 0.011,579 0.008,580 0.007,581 0.351,582 0.33,583 0.63,584 0.42,585 222.065,586 -0.031,587 -0.114,588 0.073,589 0.018,590 -0.008,591 0.022,592 -0.011,593 0.062,594 -0.04,595 0.028,596 0.005,597 -0.022,598 -0.052,599 0.058,600 -0.017,601 0.017,602 -0.091,603 -0.035,604 -0.064,605 -0.059,606 0.009,607 -0.026,608 -0.077,609 -0.043,610 0.249,611 -0.041,612 0.1,613 -0.034,614 0.26,615 0.042,616 -0.056,617 -0.062,618 0.01,619 -0.039,620 -0.041,621 0.004,622 -0.143,623 0.128,624 0.024,625 0.09,626 -0.109,627 0.08,628 0.009,629 -0.06,630 -0.081,631 -0.047,632 0.04,633 -0.076,634 1.862,635 6.399,636 0.667,637 56.781,638 1.002,639 1.122,640 1.911,641 3.651,642 0.679,643 3.784,644 4.078,645 4.344,646 4.605,647 4.779,648 4.812,649 4.913,650 4.963,651 5.004,652 4.984,653 9.32,654 0.633,655 566.81,656 3.784,657 5.313,658 6.155,659 7.02,660 7.881,661 8.755,662 9.626,663 10.504,664 11.382,665 12.264,666 5.5,669 1,673 3,680 2,681 10,685 1,686 2,688 16,703 73,705 19,706 2,707 43,709 77,710 29,711 14,712 3,713 7,717 5,718 6,724 1,727 3,729 17,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 2,776 3,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 2,805 39,810 10,811 2,812 1,813 1,814 2,815 2,820 1,825 5.5,828 3,829 1,832 19.167,833 12.65,834 8.667,835 4.419,836 2.518,837 1.308,838 0.975,839 10.044,840 10.696,841 4.007,842 4.508,843 5.003,844 5.512,845 5.927,846 6.124,847 6.441,848 6.719,849 6.973,850 6.624,851 0.909,852 57,853 14.621,854 6.32,855 7.718,856 28.215,857 23.658,859 2.218,860 86.5,864 376.675,865 207.124,866 42.27,868 86.435,870 63.497,871 143.627,872 463.11,873 42.27,875 66.034,876 92.935,877 100.549,878 11.456,879 24.901,880 416.63,882 376.675,883 185.897,884 86.435,885 63.497,887 353.133,888 98.977,889 11,891 69.158,892 116.739,894 63.497,895 376.675,896 128.705,897 207.124,900 376.675,901 114.189,902 99.184,903 36.022,904 86.435,905 376.675,906 128.705,907 207.124,909 0.57,910 0.332,911 0.185,912 0.099,913 26,914 11,915 0.143,916 11,917 1,918 1.077,919 5.078,920 371.344,921 0.077,922 26,923 198.131,924 2,928 28.25,929 13.865,930 7.471,931 2.228,932 128.705,933 20.006,937 1.557,938 2.044,940 36.022,941 712.505,942 54,946 39.079,950 -0.51,952 73.123,953 81.899,954 0.266,955 0.585,956 0.795,957 0.899,958 0.92,959 0.929,960 5.242,961 1.747,962 6.111,963 5.847,964 4.762,965 5.196,966 3.944,967 6.893,968 4.661,969 6.394,970 1.618,971 7.645,972 4.972,973 4.205,974 4.856,975 2.909,976 7.74,977 4.084,978 7.668,979 1.601,980 9.285,981 4.05,982 6.315,983 7.261,984 6.086,985 10.874,986 6.122,987 8.977,988 1.499,989 10.99,990 3.792,991 6.648,992 7.839,993 5.238,994 12.633,995 6.416,996 10.324,997 1.276,998 12.741,999 3.308,1000 8.169,1001 9.689,1002 8.608,1003 15.271,1004 7.883,1005 11.698,1006 1.26,1007 14.524,1008 2.847,1009 8.927,1010 10.717,1011 7.914,1012 17.401,1013 8.589,1014 13.092,1015 1.005,1016 16.331,1017 2.711,1018 10.212,1019 12.346,1020 11.213,1021 19.879,1022 9.825,1023 3.236,1024 1,1025 18.156,1026 2.306,1027 11.177,1028 13.604,1029 10.72,1030 22.164,1031 10.733,1032 3.031,1033 11.254,1034 19.995,1035 2.136,1036 12.369,1037 15.143,1038 13.839,1039 24.589,1040 11.877,1041 2.59,1042 10.196,1043 21.846,1044 4.43,1045 13.432,1046 16.515,1047 13.531,1048 26.939,1049 12.882,1050 2.525,1051 8.225,1052 23.706,1053 3.668,1054 14.592,1055 18.017,1056 16.47,1057 29.347,1058 13.99,1059 2.415,1060 6.967,1061 25.574,1062 3.274,1063 15.702,1064 19.445,1065 16.323,1066 31.726,1067 15.042,1068 2.26,1069 6.847,1070 27.449,1071 2.942,1072 16.854,1073 20.934,1074 19.103,1075 34.13,1076 16.14,1077 2.059,1078 6.311,1079 29.328,1080 2.83,1081 17.987,1082 22.391,1083 19.094,1084 36.523,1085 17.214,1086 26038,1087 41677,1088 29.413,1089 49.557,1090 64.038,1091 67.637,1092 64.326,1093 63.316,1094 63.397,1095 78.136,1096 25.703,1097 175.628,1098 60.112,1099 5.493,1100 6.786,1101 6.619,1102 5.312,1103 5.236,1104 7.43,1105 7.434,1106 18.609,1107 5.028,1108 14.369,1109 1.489,1110 1.573,1111 1.496,1112 1.472,1113 1.474,1114 1.817,1115 0.598,1116 4.084,1117 1.398,1118 4.096,1119 4.118,1120 4.272,1121 4.057,1122 7.435,1123 4.051,1124 3.95,1125 3.971,1126 4.044,1127 3.955,1128 7.427,1129 3.877,1130 3.825,1131 3.884,1132 3.948,1133 3.671,1134 7.422,1135 3.647,1136 3.735,1137 3.758,1138 3.708,1139 3.614,1140 4.898,1141 3.61,1142 3.642,1143 3.697,1144 3.554,1145 3.437,1146 4.672,1147 3.447,1148 3.534,1149 3.586,1150 3.484,1151 3.402,1152 4.625,1153 3.4,1154 3.44,1155 3.488,1156 3.339,1157 3.267,1158 4.347,1159 3.275,1160 3.32,1161 3.366,1162 3.24,1163 3.143,1164 4.21,1165 3.138,1166 0.104,1167 0.111,1168 0.159,1169 0.097,1170 0.075,1171 4.493,1172 0.103,1173 4.786,1174 0.088,1175 6.817,1176 0.262,1177 4.153,1178 0.07,1179 3.236,1180 4.43,1181 3.784,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.767,1191 1.702,1192 1.986,1193 2.002,1194 1.298,1195 2.001,1196 1.662,1197 1.626,1198 1.832,1199 1.892,1200 1.115,1201 1.871,1202 1.632,1203 1.604,1204 1.795,1205 1.824,1206 1.099,1207 1.821,1208 1.539,1209 1.489,1210 1.718,1211 1.718,1212 1.024,1213 1.73,1214 1.506,1215 1.464,1216 1.681,1217 1.623,1218 0.829,1219 1.652,1220 1.426,1221 1.394,1222 1.613,1223 1.573,1224 0.825,1225 1.594,1226 1.325,1227 1.298,1228 1.513,1229 1.472,1230 0.735,1231 1.489,1232 4.466,1233 5.765,1234 3.045,1235 7.249,1236 5.352,1237 8.822,1238 7.413,1239 10.447,1247 6.151,1248 5.962,1249 5.376,1250 1.454,1251 -0.8,1252 3.954,1257 46.221,1258 120.002,1259 264.491,1260 359.063,1261 406.347,1262 415.857,1263 419.857,1264 89.998,1265 8.179,1266 90.98,1267 144.52,1268 28,1269 12.8,1270 4.322,1271 3.585,1272 61.514,1273 213,1274 242,1275 0.133,1276 288.131,1277 505.54,1278 694.801,1279 48765,1281 27.029,1282 0.693,1283 0.602,1284 27.736,1285 23.476,1286 19.081,1287 0.444,1288 0.353,1289 13.358,1290 17.497,1291 12.954,1292 10.588,1293 19.943,1294 15.2,1295 16.674,1296 0.287,1297 0.207,1298 17.873,1299 12.002,1300 13.966,1301 0.184,1302 0.126,1303 15.549,1304 9.576,1305 11.654,1306 0.118,1307 0.075,1308 13.386,1309 7.38,1310 9.174,1311 0.078,1312 0.043,1313 10.55,1314 5.048,1315 0.215,1316 127.897,1317 0.184,1318 35.925,1319 0.349,1320 202,1321 582.619,1322 268.254,1323 593.03,1324 793.08,1325 558,1326 235,1327 523.665,1328 299.986,1329 553.002,1330 814.34,1331 522,1332 4.481}
{0 CHEMBL418072,1 1.698,2 14.475,3 4.418,4 19.514,5 160.669,6 8.328,7 0.386,8 4.366,9 4.478,10 4.054,11 3.976,12 5.423,13 3.924,14 4.942,15 5.106,16 4.479,17 4.417,18 5.974,19 4.331,20 5.247,21 5.44,22 4.585,23 4.596,24 6.259,25 4.475,26 5.339,27 5.561,28 4.671,29 4.584,30 6.369,31 4.444,32 5.273,33 5.496,34 4.546,35 4.473,36 6.466,37 4.366,38 5.218,39 5.426,40 4.53,41 4.435,42 6.378,43 4.332,44 5.186,45 5.384,46 4.554,47 4.43,48 6.402,49 4.346,50 5.183,51 5.355,52 4.587,53 4.48,54 6.476,55 4.366,56 0.046,57 1.028,58 13.352,59 6.746,60 9.811,61 8.509,62 0.373,63 1.773,64 31.061,65 12.165,66 34.647,67 15.355,68 0.568,69 2.205,70 49.004,71 17.602,72 76.466,73 21.605,74 0.763,75 2.33,76 66.867,77 19.917,78 94.347,79 24.213,80 0.86,81 2.176,82 53.125,83 17.827,84 139.666,85 22.362,86 0.79,87 2.002,88 56.24,89 16.698,90 107.843,91 19.816,92 0.744,93 1.944,94 48.016,95 15.606,96 109.154,97 18.384,98 0.954,99 1.949,100 53.23,101 17.254,102 155.513,103 19.51,104 37,105 62,106 0.263,107 0.568,108 0.766,109 0.857,110 0.882,111 0.89,112 3.717,113 1.03,114 -4.92,115 -4.83,116 -4.53,119 41.7,121 3,124 1,125 4,127 2,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 5,169 2,171 4,172 24,175 1,176 4,179 1,181 2,183 16,187 8,190 1,192 4,194 14,197 3,198 7,201 3,203 5,205 5,208 1,209 10,214 4,217 8,220 1,221 11,226 4,227 9,230 1,231 9,234 2,235 1,236 3,238 10,241 1,242 9,247 1,249 12,252 3578,253 26.808,254 26.808,255 26.808,256 26.808,257 26.808,258 24.302,259 29.9,260 15.731,261 27.455,262 21.714,263 21.714,264 21.714,265 21.714,266 21.714,267 17.855,268 38.996,269 7.509,270 22.855,271 4.472,272 2.505,273 1.226,274 0.643,275 0.483,276 0.427,277 4.419,279 2,283 1,284 1259,285 4.123,287 121.483,288 538.724,292 212.972,295 2.249,296 49.062,299 0.75,300 0.83,301 0.83,302 0.9,303 0.5,304 0.83,305 1,306 0.81,307 85.667,308 579,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.008,327 4.109,328 3.628,329 6.205,330 3.742,331 2.797,332 3.388,333 1.909,334 9.038,335 2.623,336 3.775,337 3.516,338 5.563,339 3.634,340 2.67,341 2.95,342 1.859,343 7.54,344 2.571,345 3.665,346 3.261,347 5.455,348 3.401,349 2.426,350 2.888,351 0.901,352 7.012,353 2.355,354 3.509,355 3.104,356 5.22,357 3.243,358 2.279,359 2.829,360 0.8,361 6.31,362 2.198,363 3.473,364 3.002,365 5.112,366 3.105,367 2.174,368 2.714,369 0.561,370 6.164,371 2.065,372 3.435,373 2.803,374 5.002,375 3.029,376 2.06,377 2.492,378 0.215,379 5.904,380 1.883,381 3.118,382 2.649,383 4.857,384 2.882,385 1.921,386 2.427,388 5.417,389 1.817,390 3.014,391 2.301,392 4.701,393 2.618,394 1.695,395 2.092,397 4.833,398 1.618,399 2.954,400 2.29,401 4.534,402 2.59,403 1.618,404 1.989,406 4.317,407 1.465,408 2.771,409 1.811,410 4.161,411 2.405,412 1.51,413 1.904,415 3.792,416 1.279,417 2.707,418 1.68,419 3.998,420 2.274,421 1.275,422 1.709,424 3.124,425 1.266,426 2.563,427 1.618,428 3.598,429 2.115,430 1.175,431 1.518,433 2.846,434 1.066,435 2.402,436 1.353,437 3.414,438 1.992,439 1.004,440 1.356,442 2.308,443 0.986,444 19.862,445 0.497,446 1.065,447 0.027,448 46.25,449 1.156,450 20.5,451 0.513,452 25.75,453 0.644,454 45.203,455 1.13,456 43.138,457 0.599,458 39.014,459 0.975,460 8.726,461 0.218,462 10.553,463 0.264,464 0.147,466 0.342,472 0.639,473 1.272,474 0.624,475 0.909,476 0.511,477 0.898,478 0.69,479 1.096,480 0.813,481 0.946,482 0.52,483 0.926,484 1.015,485 1.045,486 0.982,487 1.026,488 1.026,489 1.037,490 1.019,491 1.049,492 0.896,493 1.027,494 1.103,495 0.986,496 0.865,497 1.04,498 0.757,499 0.952,500 1.017,501 0.883,502 1.339,503 1.002,504 0.982,505 0.98,506 1.482,507 0.94,508 1.487,509 0.9,510 0.906,511 0.858,512 1.664,513 0.852,514 1.289,515 1.062,516 1.207,517 1.18,518 1.547,519 1.064,520 8.5,521 0.39,522 4.667,523 3.264,524 2.486,525 1.622,526 1.078,527 0.865,528 0.568,529 0.433,530 27159,531 74552,532 2.077,533 44.4,535 23,536 1,538 2,539 2,541 4,542 1.804,543 1.935,544 3.777,545 0.149,550 122.273,551 1.698,552 3.665,553 4.944,554 5.527,555 5.687,556 5.743,557 3.257,558 4.972,559 5.29,560 3.991,561 3113.05,562 9.363,563 54763.7,568 444.235,569 1.441,570 5.248,571 0.193,572 0.007,573 0.075,574 0.051,575 0.041,576 0.027,577 0.019,578 0.014,579 0.01,580 0.008,581 0.445,582 0.17,583 0.75,584 0.544,585 226.247,586 -0.036,587 -0.101,588 0.03,589 0.015,590 -0.015,591 0.024,592 0.048,593 0.062,594 0.008,595 0.039,596 0.047,597 0.012,598 -0.08,599 0.004,600 -0.058,601 -0.028,602 -0.099,603 -0.07,604 0.001,605 -0.043,606 0.109,607 0.004,608 -0.051,609 0.002,610 0.222,611 -0.041,612 0.129,613 0.031,614 0.204,615 0.086,616 -0.056,617 0.002,618 0.019,619 0.003,620 -0.061,621 0.01,622 -0.103,623 0.108,624 0.05,625 0.101,626 -0.056,627 0.081,628 0.086,629 -0.046,630 -0.076,631 -0.084,632 0.083,633 -0.098,634 1.972,635 6.592,636 0.675,637 52.15,638 1.005,639 1.12,640 3.693,641 13.642,642 0.697,643 3.807,644 4.143,645 4.407,646 4.682,647 4.913,648 4.956,649 5.069,650 5.153,651 5.263,652 5.293,653 8.608,654 0.652,655 599.63,656 3.807,657 5.361,658 6.213,659 7.096,660 7.966,661 8.854,662 9.733,663 10.624,664 11.509,665 12.402,666 5.6,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 72,705 20,706 3,707 44,709 76,710 30,711 16,712 6,713 10,717 5,718 6,719 2,724 4,727 5,729 19,730 11,733 3,737 3,741 3,747 32,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 2,784 1,792 1,796 4,797 1,799 1,801 1,802 2,805 40,810 7,811 2,813 1,814 3,815 2,824 2,825 4.2,828 3,832 20.667,833 12.936,834 8.694,835 4.32,836 2.795,837 1.335,838 0.975,839 9.592,840 11.134,841 4.034,842 4.585,843 5.086,844 5.608,845 6.121,846 6.28,847 6.56,848 6.853,849 7.144,850 6.922,851 0.9,852 64,853 14.99,854 6.585,855 7.789,856 28.601,857 24.233,859 2.289,860 91.556,864 353.133,865 184.037,866 42.27,867 78.297,868 75.435,870 32.22,871 151.818,872 506.865,873 42.27,874 8.396,875 55.172,876 94.762,877 89.549,878 21.643,879 11.771,880 373.581,881 78.297,882 353.133,883 194.088,884 75.435,885 110.517,887 306.049,888 122.519,891 58.297,892 135.791,893 78.297,894 32.22,895 353.133,896 117.705,897 262.334,900 353.133,901 80.878,902 109.407,903 36.022,904 153.732,905 353.133,906 117.705,907 262.334,909 0.585,910 0.339,911 0.185,912 0.106,913 29,914 14,915 0.105,916 8,917 1,918 1.074,919 4.929,920 399.91,921 0.074,922 27,923 206.877,924 1,928 29.215,929 13.133,930 7.146,931 2.184,932 117.705,933 19.137,938 2.601,940 36.022,941 733.172,942 55.5,946 39.641,950 -0.683,952 72.367,953 80.657,954 0.275,955 0.594,956 0.801,957 0.896,958 0.922,959 0.931,960 5.295,961 2.06,962 6.205,963 6.164,964 4.828,965 5.273,966 3.915,967 7.017,968 4.73,969 6.481,970 1.921,971 7.765,972 5.904,973 4.443,974 5.085,975 2.909,976 7.912,977 4.268,978 7.778,979 1.695,980 9.424,981 5.417,982 6.425,983 7.386,984 6.084,985 11.028,986 6.241,987 9.104,988 1.618,989 11.141,990 4.833,991 6.836,992 8.012,993 5.238,994 12.781,995 6.577,996 10.463,997 1.51,998 12.897,999 4.317,1000 8.305,1001 9.839,1002 8.608,1003 15.428,1004 8.031,1005 11.844,1006 1.275,1007 14.682,1008 3.792,1009 9.098,1010 10.874,1011 7.914,1012 17.555,1013 8.75,1014 13.245,1015 1.175,1016 16.488,1017 3.124,1018 10.361,1019 12.505,1020 11.213,1021 20.044,1022 9.988,1023 3.266,1024 1.004,1025 18.313,1026 2.846,1027 11.341,1028 13.753,1029 10.72,1030 22.332,1031 10.897,1032 3.032,1033 11.459,1034 20.152,1035 2.308,1036 12.525,1037 15.295,1038 13.839,1039 24.768,1040 12.044,1041 2.797,1042 10.196,1043 22.003,1044 4.43,1045 13.595,1046 16.653,1047 13.531,1048 27.127,1049 13.047,1050 2.67,1051 9.038,1052 23.864,1053 3.947,1054 14.752,1055 18.155,1056 16.47,1057 29.548,1058 14.157,1059 2.426,1060 7.54,1061 25.733,1062 3.388,1063 15.866,1064 19.571,1065 16.323,1066 31.94,1067 15.207,1068 2.279,1069 7.012,1070 27.609,1071 2.95,1072 17.017,1073 21.056,1074 19.103,1075 34.358,1076 16.305,1077 2.174,1078 6.31,1079 29.491,1080 2.888,1081 18.153,1082 22.501,1083 19.094,1084 36.766,1085 17.378,1086 25471,1087 42486,1088 29.244,1089 50.171,1090 66.37,1091 71.043,1092 68.323,1093 66.127,1094 65.728,1095 81.536,1096 23.983,1097 189.761,1098 62.248,1099 5.493,1100 6.788,1101 6.564,1102 5.332,1103 5.266,1104 7.43,1105 7.434,1106 18.974,1107 5.029,1108 21.194,1109 1.508,1110 1.615,1111 1.553,1112 1.503,1113 1.494,1114 1.853,1115 0.545,1116 4.313,1117 1.415,1118 4.097,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.979,1125 4.004,1126 4.039,1127 3.929,1128 7.427,1129 3.908,1130 3.868,1131 3.926,1132 3.958,1133 3.714,1134 7.422,1135 3.715,1136 3.764,1137 3.79,1138 3.754,1139 3.661,1140 5.015,1141 3.64,1142 3.594,1143 3.646,1144 3.585,1145 3.433,1146 4.896,1147 3.431,1148 3.483,1149 3.53,1150 3.513,1151 3.321,1152 4.628,1153 3.339,1154 3.385,1155 3.438,1156 3.427,1157 3.188,1158 4.395,1159 3.194,1160 3.212,1161 3.293,1162 3.335,1163 3.048,1164 4.347,1165 3.039,1166 0.102,1167 0.109,1168 0.156,1169 0.095,1170 0.074,1171 4.493,1172 0.101,1173 4.788,1174 0.086,1175 6.875,1176 0.26,1177 4.19,1178 0.069,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.4,1189 2.147,1190 1.897,1191 1.883,1192 2.046,1193 2.038,1194 1.325,1195 2.045,1196 1.836,1197 1.773,1198 1.944,1199 1.956,1200 1.176,1201 1.969,1202 1.655,1203 1.623,1204 1.802,1205 1.854,1206 1.101,1207 1.843,1208 1.527,1209 1.481,1210 1.703,1211 1.759,1212 0.879,1213 1.743,1214 1.485,1215 1.443,1216 1.663,1217 1.622,1218 0.825,1219 1.644,1220 1.28,1221 1.225,1222 1.576,1223 1.538,1224 0.825,1225 1.55,1226 1.255,1227 1.178,1228 1.513,1229 1.45,1230 0.735,1231 1.478,1232 4.489,1233 5.82,1234 2.398,1235 7.336,1236 4.844,1237 8.939,1238 7.018,1239 10.589,1241 2.066,1242 12.646,1247 3.846,1248 6.065,1250 1.342,1251 -1.056,1252 3.768,1257 46.974,1258 122.273,1259 263.848,1260 355.996,1261 397.97,1262 409.48,1263 413.48,1264 103.939,1265 8.338,1266 81.75,1267 107.05,1268 29,1269 12.931,1270 4.392,1271 3.644,1272 63.666,1273 203,1274 222,1275 0.146,1276 296.335,1277 523.32,1278 714.817,1279 55124,1280 2.8,1281 28.225,1282 0.706,1283 0.614,1284 29.579,1285 24.567,1286 19.279,1287 0.438,1288 0.343,1289 13.404,1290 17.714,1291 12.941,1292 10.608,1293 20.264,1294 15.103,1295 17.762,1296 0.286,1297 0.202,1298 19.157,1299 12.505,1300 14.596,1301 0.18,1302 0.117,1303 16.049,1304 9.513,1305 12.254,1306 0.115,1307 0.069,1308 14.09,1309 7.354,1310 10.119,1311 0.075,1312 0.039,1313 11.44,1314 5.228,1315 0.232,1316 129.936,1317 0.185,1318 36.063,1319 0.397,1320 212,1321 600.43,1322 284.132,1323 659.949,1324 865.44,1325 614,1326 249,1327 553.283,1328 311.246,1329 593.188,1330 872.34,1331 558,1332 5.097}
{0 CHEMBL41983,1 1.725,2 15.075,3 3.847,4 14.797,5 158.307,6 8.184,7 0.273,8 4.397,9 4.509,10 4.068,11 3.969,12 5.418,13 3.923,14 5,15 5.166,16 4.485,17 4.413,18 6.004,19 4.329,20 5.293,21 5.501,22 4.565,23 4.57,24 6.268,25 4.445,26 5.327,27 5.546,28 4.656,29 4.564,30 6.339,31 4.422,32 5.312,33 5.544,34 4.53,35 4.473,36 6.465,37 4.359,38 5.261,39 5.48,40 4.539,41 4.451,42 6.372,43 4.335,44 5.232,45 5.439,46 4.546,47 4.432,48 6.4,49 4.333,50 5.177,51 5.358,52 4.539,53 4.408,54 6.468,55 4.311,56 0.068,57 1.068,58 14.5,59 7.157,60 9.356,61 9.003,62 0.483,63 1.826,64 34.309,65 12.871,66 39.821,67 16.213,68 0.797,69 2.222,70 53.932,71 18.003,72 82.279,73 22.46,74 0.811,75 2.251,76 66.449,77 19.34,78 90.136,79 23.871,80 0.98,81 2.165,82 56.527,83 18.209,84 142.056,85 23.302,86 0.882,87 2.01,88 59.283,89 17.444,90 110.792,91 21.365,92 0.922,93 1.984,94 54.704,95 16.553,96 111.584,97 19.714,98 1.027,99 1.876,100 53.484,101 16.161,102 151.272,103 18.922,104 26,105 61,106 0.268,107 0.562,108 0.777,109 0.874,110 0.888,111 0.892,112 3.717,113 1.052,114 -4.13,115 -4.08,116 -3.86,119 39.2,121 4,125 7,127 2,128 1,138 7,139 3,140 2,151 3,163 10,165 1,166 4,169 2,171 4,172 19,175 2,176 4,179 1,181 3,183 11,187 8,190 1,192 3,194 12,197 3,198 8,201 3,203 3,205 4,208 1,209 9,214 3,217 8,220 1,221 10,224 1,226 4,227 6,230 1,231 10,234 2,235 1,236 3,238 7,241 2,242 7,247 1,249 9,252 3928,253 27.068,254 27.068,255 27.068,256 27.068,257 27.068,258 25.122,259 33.708,260 16.148,261 27.88,262 21.748,263 21.748,264 21.748,265 21.748,266 21.748,267 18.687,268 38.466,269 7.73,270 23.133,271 4.485,272 2.59,273 1.205,274 0.578,275 0.486,276 0.459,277 4.42,279 2,283 1,284 1314,285 4.301,287 231.355,288 431.438,291 198.938,295 2.436,296 52.697,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 86.667,308 603,309 4.432,310 4.788,311 6.875,312 4.191,313 3.267,314 3.947,315 3.784,316 11.459,317 3.047,318 4.336,319 3.681,320 6.533,321 4.062,322 3.072,323 3.888,324 1.963,325 10.301,326 3.004,327 4.108,328 3.616,329 6.204,330 3.738,331 2.794,332 3.387,333 1.909,334 9.037,335 2.619,336 3.705,337 3.54,338 5.52,339 3.452,340 2.525,341 2.89,342 1.859,343 7.177,344 2.404,345 3.6,346 3.284,347 5.34,348 3.421,349 2.445,350 2.812,351 0.901,352 6.965,353 2.31,354 3.516,355 3.245,356 5.248,357 3.275,358 2.287,359 2.734,360 0.86,361 6.401,362 2.245,363 3.492,364 3.001,365 5.124,366 3.08,367 2.167,368 2.519,369 0.8,370 6.215,371 1.913,372 3.138,373 2.885,374 4.911,375 2.861,376 1.894,377 2.291,378 0.561,379 5.502,380 1.818,381 2.975,382 2.649,383 4.753,384 2.621,385 1.692,386 2.088,387 0.215,388 4.841,389 1.546,390 2.918,391 2.223,392 4.568,393 2.545,394 1.613,395 2.067,397 4.372,398 1.538,399 2.736,400 2.176,401 4.141,402 2.517,403 1.546,404 1.751,406 3.692,407 1.427,408 2.611,409 1.819,410 3.997,411 2.4,412 1.512,413 1.606,415 3.307,416 1.27,417 2.564,418 1.68,419 3.715,420 2.18,421 1.26,422 1.524,424 3.124,425 1.149,426 2.464,427 1.678,428 3.581,429 2.141,430 1.174,431 1.438,433 2.74,434 1.128,435 2.31,436 1.664,437 3.468,438 2.106,439 1.142,440 1.293,442 2.691,443 1.054,444 19.695,445 0.492,446 0.959,447 0.024,448 42.75,449 1.069,450 16.5,451 0.413,452 26.25,453 0.656,454 47.362,455 1.184,456 44.505,457 0.601,458 35.27,459 0.882,460 7.946,461 0.199,462 11.439,463 0.286,464 0.123,466 0.32,472 0.681,473 1.358,474 0.632,475 0.975,476 0.511,477 0.946,478 0.838,479 1.163,480 0.838,481 0.981,482 0.556,483 0.97,484 1.028,485 0.998,486 0.973,487 0.968,488 1.014,489 0.997,490 0.943,491 1.088,492 0.916,493 1.066,494 1.109,495 1.026,496 0.827,497 1.003,498 0.752,499 0.933,500 0.987,501 0.878,502 1.164,503 0.99,504 0.924,505 0.946,506 1.366,507 0.925,508 1.331,509 0.937,510 1.003,511 0.94,512 1.583,513 0.874,514 1.243,515 1.106,516 1.166,517 1.156,518 1.564,519 1.04,520 7.5,521 0.336,522 4.222,523 3.306,524 2.037,525 1.664,526 0.91,527 0.855,528 0.472,529 0.452,530 28128,531 77551,532 2.092,533 45.9,534 2,535 23,536 1,538 2,539 2,540 2,541 2,542 1.803,543 1.967,544 3.828,545 0.174,550 127.644,551 1.725,552 3.619,553 5.005,554 5.632,555 5.723,556 5.75,557 3.354,558 5.122,559 5.286,560 4.052,561 3160.3,562 9.356,563 56362.6,568 459.5,569 1.376,570 5.257,571 0.17,572 0.006,573 0.069,574 0.054,575 0.035,576 0.028,577 0.016,578 0.015,579 0.008,580 0.009,581 0.411,582 0.33,583 0.75,584 0.508,585 227.311,586 -0.038,587 -0.136,588 0.035,589 -0.006,590 -0.003,591 0.015,592 -0.01,593 0.007,594 -0.011,595 0.022,596 0.029,597 -0.016,598 -0.08,599 0.054,600 -0.038,601 0.03,602 -0.092,603 -0.025,604 -0.01,605 -0.062,606 0.091,607 -0.025,608 -0.048,609 -0.034,610 0.176,611 -0.013,612 0.129,613 0.047,614 0.202,615 0.097,616 -0.037,617 -0.003,618 0.066,619 0.043,620 -0.035,621 0.044,622 -0.083,623 0.089,624 0.023,625 0.08,626 -0.068,627 0.078,628 0.06,629 -0.078,630 -0.065,631 -0.099,632 0.093,633 -0.08,634 1.956,635 6.568,636 0.65,637 56.93,638 1.008,639 1.125,640 2.904,641 8.432,642 0.681,643 3.807,644 4.127,645 4.394,646 4.673,647 4.86,648 4.92,649 5.037,650 5.124,651 5.187,652 5.268,653 8.9,654 0.638,655 605.64,656 3.807,657 5.352,658 6.201,659 7.079,660 7.948,661 8.834,662 9.713,663 10.605,664 11.491,665 12.387,666 5.4,669 1,673 3,681 7,686 5,688 12,702 2,703 74,705 15,706 2,707 44,709 78,710 29,711 12,712 5,713 7,717 5,718 6,719 2,724 4,727 6,729 15,730 14,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 2,776 3,779 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 40,810 11,811 2,812 1,813 1,814 3,815 2,824 2,825 5.4,828 3,829 1,832 20.333,833 12.852,834 8.778,835 4.602,836 1.725,837 1.208,838 0.963,839 10.318,840 10.003,841 3.989,842 4.477,843 4.913,844 5.365,845 5.792,846 5.868,847 6.062,848 6.3,849 6.416,850 6.504,851 1,852 61,853 15.025,854 6.595,855 7.785,856 28.799,857 24.452,859 2.285,860 91.389,864 376.675,865 159.077,866 42.27,867 78.297,868 86.435,870 32.22,871 126.857,872 541.407,873 42.27,875 68.997,876 66.334,877 100.549,878 19.682,879 11.771,880 397.124,881 78.297,882 376.675,883 169.127,884 86.435,885 110.517,887 329.591,888 122.519,889 11,891 72.122,892 97.006,893 78.297,894 32.22,895 376.675,896 128.705,897 237.374,900 376.675,901 92.743,902 72.582,903 36.022,904 164.732,905 376.675,906 128.705,907 237.374,909 0.579,910 0.335,911 0.186,912 0.101,913 28,914 13,915 0.128,916 10,917 1,918 1.077,919 5.029,920 393.529,921 0.077,922 26,923 208.877,924 1,928 29.679,929 13.906,930 7.541,932 128.705,933 13.243,938 3.983,940 36.022,941 742.754,942 53,946 39.543,950 -0.659,952 74.578,953 83.282,954 0.278,955 0.583,956 0.806,957 0.907,958 0.922,959 0.926,960 5.252,961 1.894,962 6.18,963 6.215,964 4.812,965 5.165,966 3.944,967 6.986,968 4.696,969 6.409,970 1.692,971 7.733,972 5.502,973 4.369,974 4.902,975 2.909,976 7.872,977 4.18,978 7.692,979 1.613,980 9.388,981 4.841,982 6.395,983 7.162,984 6.086,985 11.003,986 6.183,987 9.004,988 1.546,989 11.105,990 4.372,991 6.792,992 7.71,993 5.238,994 12.773,995 6.513,996 10.351,997 1.512,998 12.864,999 3.692,1000 8.279,1001 9.483,1002 8.608,1003 15.423,1004 7.972,1005 11.722,1006 1.26,1007 14.653,1008 3.307,1009 9.075,1010 10.408,1011 7.914,1012 17.563,1013 8.703,1014 13.112,1015 1.174,1016 16.465,1017 3.124,1018 10.348,1019 11.983,1020 11.213,1021 20.053,1022 9.939,1023 3.267,1024 1.142,1025 18.295,1026 2.74,1027 11.336,1028 13.101,1029 10.72,1030 22.349,1031 10.864,1032 3.072,1033 11.459,1034 20.139,1035 2.691,1036 12.525,1037 14.582,1038 13.839,1039 24.785,1040 12.011,1041 2.794,1042 10.301,1043 21.995,1044 3.947,1045 13.603,1046 15.803,1047 13.531,1048 27.148,1049 13.027,1050 2.525,1051 9.037,1052 23.86,1053 3.888,1054 14.765,1055 17.233,1056 16.47,1057 29.569,1058 14.141,1059 2.445,1060 7.177,1061 25.733,1062 3.387,1063 15.885,1064 18.513,1065 16.323,1066 31.962,1067 15.201,1068 2.287,1069 6.965,1070 27.612,1071 2.89,1072 17.04,1073 19.916,1074 19.103,1075 34.38,1076 16.303,1077 2.167,1078 6.401,1079 29.496,1080 2.812,1081 18.181,1082 21.23,1083 19.094,1084 36.789,1085 17.385,1086 26295,1087 43931,1088 29.531,1089 50.387,1090 65.983,1091 70.333,1092 67.444,1093 65.885,1094 65.478,1095 77.522,1096 25.703,1097 186.289,1098 61.429,1099 5.432,1100 6.788,1101 6.677,1102 5.333,1103 5.267,1104 6.947,1105 7.434,1106 18.974,1107 5.047,1108 19.088,1109 1.5,1110 1.598,1111 1.533,1112 1.497,1113 1.488,1114 1.762,1115 0.584,1116 4.234,1117 1.396,1118 4.041,1119 4.073,1120 4.168,1121 3.975,1122 7.435,1123 3.966,1124 3.964,1125 3.986,1126 3.972,1127 3.918,1128 7.427,1129 3.899,1130 3.83,1131 3.89,1132 3.937,1133 3.674,1134 7.422,1135 3.662,1136 3.764,1137 3.791,1138 3.708,1139 3.616,1140 5.014,1141 3.618,1142 3.632,1143 3.685,1144 3.582,1145 3.416,1146 4.755,1147 3.434,1148 3.511,1149 3.565,1150 3.548,1151 3.351,1152 4.629,1153 3.345,1154 3.394,1155 3.451,1156 3.451,1157 3.23,1158 4.627,1159 3.23,1160 3.275,1161 3.313,1162 3.253,1163 3.089,1164 4.234,1165 3.086,1166 0.101,1167 0.109,1168 0.156,1169 0.095,1170 0.074,1171 4.432,1172 0.09,1173 4.788,1174 0.086,1175 6.875,1176 0.26,1177 4.191,1178 0.069,1179 3.267,1180 3.947,1181 3.784,1182 11.459,1183 3.047,1184 1.899,1185 1.882,1186 2.01,1187 2.003,1188 1.299,1189 2.002,1190 1.896,1191 1.874,1192 1.987,1193 1.977,1194 1.193,1195 1.988,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.174,1201 1.97,1202 1.674,1203 1.636,1204 1.852,1205 1.872,1206 1.169,1207 1.867,1208 1.597,1209 1.541,1210 1.822,1211 1.833,1212 1.097,1213 1.831,1214 1.526,1215 1.474,1216 1.738,1217 1.712,1218 1.077,1219 1.726,1220 1.428,1221 1.374,1222 1.631,1223 1.625,1224 0.868,1225 1.645,1226 1.153,1227 1.103,1228 1.513,1229 1.408,1230 0.825,1231 1.429,1232 4.489,1233 5.808,1234 3.045,1235 7.309,1236 5.476,1237 8.895,1238 7.618,1239 10.529,1242 12.636,1247 7.184,1248 6.061,1249 5.377,1250 1.35,1251 -1.171,1252 3.842,1257 47.216,1258 127.644,1259 267.836,1260 370.338,1261 416.745,1262 423.5,1263 425.5,1264 105.501,1265 8.278,1266 90.98,1267 116.28,1268 28,1269 12.914,1270 4,1271 3.322,1272 63.701,1273 203,1274 252,1275 0.142,1276 296.594,1277 530.99,1278 715.449,1279 51281,1280 2.7,1281 28.062,1282 0.702,1283 0.614,1284 29.415,1285 24.572,1286 19.385,1287 0.441,1288 0.351,1289 13.702,1290 17.681,1291 13.322,1292 10.826,1293 20.371,1294 15.435,1295 17.494,1296 0.287,1297 0.204,1298 18.889,1299 12.46,1300 14.442,1301 0.181,1302 0.12,1303 15.896,1304 9.619,1305 12.26,1306 0.116,1307 0.072,1308 14.096,1309 7.586,1310 9.649,1311 0.075,1312 0.04,1313 10.963,1314 5.113,1315 0.226,1316 131.488,1317 0.184,1318 36.317,1319 0.382,1320 210,1321 620.165,1322 285.343,1323 666.218,1324 868.63,1325 622,1326 246,1327 546.272,1328 311.347,1329 579.474,1330 856.47,1331 547,1332 5.538}
{0 CHEMBL42001,1 1.781,2 15.175,3 4.438,4 19.693,5 160.573,6 8.604,7 0.279,8 4.377,9 4.486,10 4.083,11 3.948,12 5.43,13 3.899,14 4.963,15 5.132,16 4.499,17 4.372,18 6.001,19 4.287,20 5.235,21 5.427,22 4.617,23 4.548,24 6.269,25 4.426,26 5.307,27 5.516,28 4.679,29 4.553,30 6.358,31 4.404,32 5.3,33 5.538,34 4.542,35 4.453,36 6.453,37 4.335,38 5.229,39 5.441,40 4.544,41 4.425,42 6.371,43 4.317,44 5.209,45 5.409,46 4.553,47 4.392,48 6.45,49 4.306,50 5.156,51 5.341,52 4.547,53 4.397,54 6.439,55 4.287,56 0.1,57 1.034,58 13.139,59 6.92,60 11.466,61 8.586,62 0.551,63 1.719,64 32.996,65 12.377,66 42.761,67 15.268,68 0.847,69 2.047,70 51.57,71 17.342,72 85.679,73 20.889,74 0.941,75 2.134,76 69.194,77 19.411,78 104.685,79 23.227,80 1.131,81 2.09,82 60.778,83 18.19,84 148.219,85 23.104,86 0.936,87 1.918,88 58.841,89 17.096,90 108.879,91 20.514,92 1.123,93 1.868,94 51.537,95 15.58,96 139.579,97 18.258,98 1.068,99 1.786,100 53.236,101 16.29,102 153.209,103 19.049,104 50,105 59,106 0.278,107 0.566,108 0.782,109 0.87,110 0.883,111 0.887,112 3.717,113 1.067,114 -4.4,115 -4.33,116 -4.09,119 38.4,120 1,121 2,125 8,127 1,128 1,138 6,139 3,140 3,151 3,163 7,165 1,166 4,169 2,171 3,172 16,175 2,176 4,179 1,181 2,183 11,187 7,190 1,192 3,194 10,197 3,198 7,201 3,203 4,205 3,208 1,209 9,214 3,217 7,220 1,221 9,224 1,226 4,227 6,230 1,231 8,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 8,252 4022,253 26.62,254 26.62,255 26.62,256 26.62,257 26.62,258 24.544,259 31.789,260 15.827,261 27.545,262 21.184,263 21.184,264 21.184,265 21.184,266 21.184,267 18.001,268 34.92,269 7.544,270 22.797,271 4.409,272 2.56,273 1.175,274 0.613,275 0.531,276 0.503,277 4.407,279 3,283 1,284 1286,285 4.416,287 130.381,288 474.47,295 2.551,296 55.257,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 87,308 607,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.979,315 3.784,316 11.459,317 3.009,318 4.317,319 3.669,320 6.336,321 3.916,322 2.95,323 3.947,324 1.963,325 9.399,326 2.841,327 4.108,328 3.615,329 6.204,330 3.739,331 2.795,332 3.387,333 1.909,334 9.036,335 2.619,336 3.698,337 3.515,338 5.51,339 3.452,340 2.525,341 2.878,342 1.859,343 7.118,344 2.399,345 3.594,346 3.279,347 5.34,348 3.419,349 2.445,350 2.812,351 0.901,352 6.965,353 2.308,354 3.516,355 3.256,356 5.138,357 3.263,358 2.281,359 2.726,360 0.86,361 6.215,362 2.23,363 3.488,364 3.001,365 5.075,366 3.069,367 2.157,368 2.522,369 0.8,370 5.992,371 1.885,372 3.281,373 2.885,374 4.953,375 2.873,376 1.952,377 2.517,378 0.561,379 5.575,380 1.728,381 2.979,382 2.649,383 4.799,384 2.643,385 1.739,386 2.088,387 0.215,388 5.019,389 1.545,390 2.867,391 2.511,392 4.587,393 2.518,394 1.614,395 2.029,397 4.4,398 1.432,399 2.74,400 2.176,401 3.999,402 2.414,403 1.526,404 1.753,406 3.308,407 1.414,408 2.611,409 1.819,410 3.878,411 2.407,412 1.414,413 1.605,415 3.184,416 1.271,417 2.562,418 1.68,419 3.715,420 2.178,421 1.261,422 1.515,424 3.125,425 1.137,426 2.311,427 1.678,428 3.476,429 2.113,430 1.174,431 1.295,433 2.704,434 1.06,435 2,436 1.57,437 3.308,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.91,445 0.498,446 1.035,447 0.026,448 42.5,449 1.063,450 16.5,451 0.413,452 26,453 0.65,454 48.246,455 1.206,456 44.89,457 0.615,458 35.777,459 0.894,460 8.142,461 0.204,462 11.082,463 0.277,464 0.183,466 0.316,472 0.678,473 1.399,474 0.598,475 0.953,476 0.523,477 0.937,478 0.845,479 1.125,480 0.775,481 0.907,482 0.568,483 0.905,484 1.05,485 1.016,486 0.965,487 0.967,488 1.049,489 0.996,490 1.005,491 1.143,492 1.009,493 1.123,494 1.158,495 1.088,496 0.767,497 0.955,498 0.76,499 0.905,500 0.846,501 0.843,502 1.104,503 1.034,504 0.88,505 0.973,506 1.295,507 0.934,508 1.357,509 0.915,510 0.872,511 0.858,512 1.705,513 0.879,514 1.089,515 1.07,516 1.048,517 1.093,518 1.368,519 1.021,520 8,521 0.361,522 4.667,523 3.201,524 2.353,525 1.616,526 0.992,527 0.805,528 0.497,529 0.432,530 27188,531 85043,532 2.021,533 45.2,534 3,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.832,545 0.199,550 130.031,551 1.781,552 3.63,553 5.015,554 5.577,555 5.659,556 5.686,557 3.354,558 5.122,559 5.285,560 4.082,561 3183.76,562 9.355,563 57540.2,568 451.857,569 1.467,570 5.242,571 0.186,572 0.007,573 0.079,574 0.052,575 0.042,576 0.028,577 0.018,578 0.014,579 0.009,580 0.008,581 0.444,582 0.17,583 0.75,584 0.573,585 228.124,586 -0.044,587 -0.161,588 0.023,589 -0.018,590 -0.013,591 0.001,592 -0.021,593 0.052,594 0.015,595 0.076,596 0.031,597 0.037,598 -0.098,599 0.049,600 -0.044,601 0.036,602 -0.099,603 -0.027,604 -0.055,605 -0.118,606 0.013,607 -0.078,608 -0.083,609 -0.096,610 0.175,611 0.039,612 0.115,613 0.068,614 0.21,615 0.136,616 -0.039,617 -0.034,618 0.037,619 0.004,620 -0.028,621 0.032,622 -0.094,623 0.1,624 0.014,625 0.081,626 -0.084,627 0.045,628 0.074,629 -0.059,630 -0.031,631 -0.06,632 0.1,633 -0.051,634 1.994,635 6.488,636 0.575,637 59.633,638 1.012,639 1.126,640 3.172,641 10.06,642 0.688,643 3.784,644 4.094,645 4.331,646 4.554,647 4.745,648 4.787,649 4.868,650 4.934,651 5.024,652 5.05,653 9.096,654 0.644,655 628.07,656 3.784,657 5.323,658 6.159,659 7.026,660 7.882,661 8.756,662 9.624,663 10.505,664 11.381,665 12.266,666 5.5,669 1,673 3,681 6,686 6,688 12,702 3,703 73,705 15,706 2,707 43,709 76,710 28,711 12,712 6,713 6,717 4,718 4,719 3,721 1,724 1,727 3,729 15,730 13,733 3,737 3,741 3,747 33,748 8,749 2,750 12,751 4,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 3,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 3,825 5.5,828 3,829 1,832 21.333,833 13.079,834 8.861,835 4.381,836 1.628,837 1.205,838 0.949,839 11.857,840 9.577,841 3.97,842 4.466,843 4.883,844 5.292,845 5.721,846 5.769,847 5.865,848 6.078,849 6.308,850 6.343,851 1,852 61,853 14.978,854 6.451,855 7.858,856 28.384,857 23.405,859 2.358,860 94.333,864 364.904,865 158.963,866 42.27,867 117.446,868 86.435,870 32.22,871 126.743,872 568.785,873 42.27,874 8.825,875 66.034,876 56.857,877 100.549,878 23.183,879 11.771,880 385.353,881 117.446,882 364.904,883 169.013,884 86.435,885 149.665,887 341.362,888 98.977,889 11,891 77.983,892 91.03,893 117.446,894 32.22,895 364.904,896 128.705,897 276.409,900 364.904,901 93.28,902 71.931,903 36.022,904 203.881,905 364.904,906 128.705,907 276.409,909 0.58,910 0.334,911 0.174,912 0.095,913 25,914 13,915 0.145,916 11,918 1,919 4.966,920 380.541,922 23,923 208.877,924 1,928 31.417,929 15.097,930 8.745,932 128.705,933 10.599,938 3.974,940 36.022,941 770.018,942 52,946 39.195,950 -0.799,952 73.902,953 82.226,954 0.288,955 0.586,956 0.81,957 0.901,958 0.914,959 0.919,960 5.226,961 1.952,962 6.142,963 5.992,964 4.779,965 5.153,966 3.944,967 6.932,968 4.638,969 6.393,970 1.739,971 7.694,972 5.575,973 4.369,974 4.956,975 2.909,976 7.806,977 4.133,978 7.68,979 1.614,980 9.347,981 5.019,982 6.354,983 7.178,984 6.086,985 10.917,986 6.099,987 8.996,988 1.526,989 11.061,990 4.4,991 6.758,992 7.774,993 5.238,994 12.654,995 6.41,996 10.345,997 1.414,998 12.814,999 3.308,1000 8.221,1001 9.524,1002 8.608,1003 15.302,1004 7.846,1005 11.716,1006 1.261,1007 14.597,1008 3.184,1009 9.011,1010 10.485,1011 7.914,1012 17.416,1013 8.542,1014 13.105,1015 1.174,1016 16.402,1017 3.125,1018 10.27,1019 12.05,1020 11.213,1021 19.908,1022 9.76,1023 3.266,1024 1,1025 18.224,1026 2.704,1027 11.247,1028 13.196,1029 10.72,1030 22.192,1031 10.645,1032 2.95,1033 11.459,1034 20.061,1035 2.136,1036 12.428,1037 14.674,1038 13.839,1039 24.633,1040 11.771,1041 2.795,1042 9.399,1043 21.91,1044 3.979,1045 13.497,1046 15.919,1047 13.531,1048 26.994,1049 12.75,1050 2.525,1051 9.036,1052 23.769,1053 3.947,1054 14.653,1055 17.352,1056 16.47,1057 29.42,1058 13.84,1059 2.445,1060 7.118,1061 25.637,1062 3.387,1063 15.766,1064 18.652,1065 16.323,1066 31.817,1067 14.866,1068 2.281,1069 6.965,1070 27.511,1071 2.878,1072 16.918,1073 20.06,1074 19.103,1075 34.242,1076 15.944,1077 2.157,1078 6.215,1079 29.391,1080 2.812,1081 18.055,1082 21.392,1083 19.094,1084 36.657,1085 16.995,1086 26114,1087 46444,1088 28.145,1089 50.245,1090 63.774,1091 68.755,1092 65.846,1093 63.771,1094 63.328,1095 75.554,1096 25.703,1097 178.605,1098 58.487,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.979,1105 7.434,1106 18.973,1107 5.009,1108 23.058,1109 1.483,1110 1.599,1111 1.531,1112 1.483,1113 1.473,1114 1.757,1115 0.598,1116 4.154,1117 1.36,1118 4.001,1119 4.026,1120 4.168,1121 3.943,1122 7.435,1123 3.925,1124 3.933,1125 3.956,1126 4.022,1127 3.889,1128 7.427,1129 3.877,1130 3.829,1131 3.89,1132 3.957,1133 3.675,1134 7.422,1135 3.662,1136 3.766,1137 3.792,1138 3.708,1139 3.616,1140 5.015,1141 3.618,1142 3.634,1143 3.687,1144 3.585,1145 3.414,1146 4.925,1147 3.431,1148 3.497,1149 3.552,1150 3.554,1151 3.289,1152 4.629,1153 3.3,1154 3.328,1155 3.374,1156 3.492,1157 3.141,1158 4.627,1159 3.138,1160 3.172,1161 3.257,1162 3.305,1163 3.029,1164 4.361,1165 3.006,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.093,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.979,1181 3.784,1182 11.459,1183 3.009,1184 1.932,1185 1.909,1186 2.032,1187 2.013,1188 1.299,1189 2.026,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.215,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.175,1201 1.97,1202 1.65,1203 1.617,1204 1.825,1205 1.862,1206 1.103,1207 1.852,1208 1.581,1209 1.528,1210 1.779,1211 1.802,1212 1.085,1213 1.801,1214 1.437,1215 1.381,1216 1.642,1217 1.666,1218 0.869,1219 1.668,1220 1.264,1221 1.214,1222 1.554,1223 1.485,1224 0.825,1225 1.495,1226 1.205,1227 1.125,1228 1.513,1229 1.418,1230 0.692,1231 1.468,1232 4.466,1233 5.778,1234 2.398,1235 7.27,1236 4.844,1237 8.848,1238 7.018,1239 10.474,1241 1.895,1242 18.781,1247 5.577,1248 5.814,1249 5.368,1250 1.313,1251 -1.185,1252 3.8,1257 47.043,1258 130.031,1259 264.967,1260 366.083,1261 407.102,1262 413.102,1263 415.102,1264 121.644,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.801,1270 4,1271 3.322,1272 73.023,1273 207,1274 252,1275 0.16,1276 302.728,1277 541.26,1278 730.415,1279 33867,1280 4.1,1281 28.648,1282 0.716,1283 0.634,1284 30.501,1285 25.344,1286 19.223,1287 0.447,1288 0.356,1289 13.203,1290 17.222,1291 12.728,1292 10.384,1293 20.498,1294 15.287,1295 17.317,1296 0.294,1297 0.209,1298 19.083,1299 12.31,1300 14.161,1301 0.189,1302 0.126,1303 16.022,1304 9.416,1305 11.213,1306 0.119,1307 0.074,1308 13.287,1309 6.93,1310 8.768,1311 0.077,1312 0.041,1313 10.244,1314 4.653,1315 0.255,1316 133.738,1317 0.188,1318 36.425,1319 0.428,1320 204,1321 642.369,1322 294.53,1323 716.483,1324 918.46,1325 666,1326 236,1327 551.853,1328 312.725,1329 595.954,1330 875.82,1331 560,1332 6.398}
{0 CHEMBL42021,1 1.714,2 15.738,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.475,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.036,19 4.353,20 5.283,21 5.481,22 4.601,23 4.601,24 6.292,25 4.484,26 5.337,27 5.549,28 4.63,29 4.598,30 6.347,31 4.462,32 5.334,33 5.558,34 4.725,35 4.545,36 6.51,37 4.427,38 5.296,39 5.517,40 4.524,41 4.483,42 6.404,43 4.376,44 5.255,45 5.458,46 4.558,47 4.437,48 6.49,49 4.352,50 5.184,51 5.365,52 4.566,53 4.426,54 6.486,55 4.329,56 0.066,57 1.081,58 14.293,59 7.216,60 10.286,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 40.214,67 15.831,68 0.759,69 2.234,70 52.079,71 18.103,72 81.549,73 22.149,74 0.747,75 2.316,76 62.478,77 19.693,78 89.172,79 24.03,80 1.032,81 2.261,82 64.471,83 19.115,84 142.049,85 24.014,86 0.819,87 2.134,88 57.371,89 17.984,90 105.258,91 22.067,92 1.049,93 2.007,94 56.448,95 16.48,96 132.545,97 19.49,98 1.012,99 1.905,100 50.999,101 16.359,102 153.615,103 19.146,104 26,105 63,106 0.263,107 0.559,108 0.754,109 0.863,110 0.886,111 0.894,112 3.765,113 1.03,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 22,175 2,176 4,179 1,181 2,183 19,187 6,190 1,192 4,194 10,197 3,198 9,201 3,203 5,205 8,208 1,209 8,214 4,217 6,220 1,221 11,224 1,226 3,227 9,230 1,231 9,234 2,235 1,236 4,238 7,241 2,242 10,247 2,249 8,252 4436,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 30.676,260 17.09,261 29.296,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 35.134,269 8.172,270 24.109,271 4.534,272 2.606,273 1.335,274 0.625,275 0.474,276 0.421,277 4.468,279 2,283 1,284 1435,285 4.416,287 130.423,288 586.308,292 228.383,295 2.761,296 52.589,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 661,309 4.493,310 4.788,311 6.877,312 4.192,313 3.268,314 4.43,315 3.784,316 11.472,317 3.029,318 4.436,319 3.67,320 6.506,321 4.03,322 3.032,323 3.952,324 1.963,325 10.196,326 3.008,327 4.104,328 3.615,329 6.21,330 3.742,331 2.795,332 3.377,333 1.909,334 9.065,335 2.625,336 3.704,337 3.515,338 5.501,339 3.453,340 2.525,341 2.945,342 1.859,343 7.095,344 2.406,345 3.599,346 3.256,347 5.34,348 3.422,349 2.446,350 2.832,351 0.901,352 6.965,353 2.31,354 3.517,355 3.103,356 5.218,357 3.273,358 2.28,359 2.786,360 0.86,361 6.313,362 2.246,363 3.484,364 2.957,365 5.05,366 3.08,367 2.139,368 2.701,369 0.8,370 6.005,371 2.064,372 3.445,373 2.885,374 4.976,375 2.993,376 2.051,377 2.519,378 0.561,379 5.757,380 1.828,381 3.118,382 2.73,383 4.875,384 2.719,385 1.819,386 2.427,387 0.215,388 5.262,389 1.618,390 3.086,391 2.29,392 4.64,393 2.618,394 1.639,395 2.209,397 4.583,398 1.555,399 2.771,400 2.176,401 4.162,402 2.554,403 1.618,404 1.904,406 3.793,407 1.464,408 2.73,409 1.815,410 3.987,411 2.44,412 1.539,413 1.733,415 3.308,416 1.35,417 2.611,418 1.678,419 3.715,420 2.274,421 1.276,422 1.602,424 2.946,425 1.274,426 2.482,427 1.618,428 3.599,429 2.179,430 1.26,431 1.417,433 2.846,434 1.138,435 2.402,436 1.57,437 3.475,438 2.03,439 1.067,440 1.355,442 2.698,443 1.012,444 20.695,445 0.493,446 0.959,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.389,455 1.128,456 45.905,457 0.604,458 40.809,459 0.972,460 9.219,461 0.219,462 11.166,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.519,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.58,483 0.946,484 1.036,485 0.97,486 0.984,487 0.965,488 1.04,489 0.985,490 0.995,491 1.097,492 0.999,493 1.087,494 1.164,495 1.044,496 0.734,497 1.046,498 0.715,499 0.942,500 0.848,501 0.897,502 1.169,503 1.011,504 0.976,505 0.969,506 1.305,507 0.919,508 1.446,509 0.886,510 1.08,511 0.93,512 1.693,513 0.904,514 1.166,515 1.082,516 1.054,517 1.11,518 1.552,519 1.032,520 7.5,521 0.356,522 4.444,523 2.951,524 2.375,525 1.539,526 1.059,527 0.743,528 0.509,529 0.397,530 32441,531 90514,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.862,545 0.149,550 130.289,551 1.714,552 3.642,553 4.913,554 5.623,555 5.774,556 5.827,557 3.358,558 5.011,559 5.357,560 4.124,561 3550.42,562 9.495,563 66322.4,568 474.842,569 1.351,570 5.33,571 0.163,572 0.006,573 0.071,574 0.045,575 0.039,576 0.024,577 0.018,578 0.013,579 0.009,580 0.007,581 0.395,582 0.17,583 0.63,584 0.494,585 242.875,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.012,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.017,597 -0.007,598 -0.078,599 0.077,600 -0.041,601 0.041,602 -0.094,603 -0.013,604 -0.056,605 -0.074,606 0.012,607 -0.044,608 -0.091,609 -0.052,610 0.259,611 -0.047,612 0.251,613 0.056,614 0.246,615 0.087,616 -0.055,617 -0.019,618 0.016,619 0.015,620 -0.028,621 0.051,622 -0.078,623 0.114,624 -0.022,625 0.038,626 -0.04,627 0.035,628 0.121,629 -0.077,630 -0.002,631 -0.077,632 0.115,633 -0.073,634 1.994,635 6.593,636 0.643,637 62.172,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.419,646 4.682,647 4.913,648 4.927,649 5.043,650 5.112,651 5.176,652 5.204,653 9.368,654 0.648,655 629.66,656 3.85,657 5.389,658 6.232,659 7.104,660 7.969,661 8.848,662 9.723,663 10.608,664 11.49,665 12.379,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.278,835 4.595,836 2.781,837 1.332,838 0.971,839 11.046,840 11.154,841 4.069,842 4.595,843 5.092,844 5.604,845 6.124,846 6.259,847 6.554,848 6.838,849 7.118,850 6.911,851 0.909,852 65,853 15.733,854 6.838,855 7.791,856 30.012,857 25.071,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.576,910 0.333,911 0.183,912 0.105,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.188,920 416.583,921 0.074,922 27,923 218.477,924 1,928 31.111,929 14.912,930 8.2,931 2.173,932 128.705,933 19.057,938 2.566,940 36.022,941 770.18,942 57.5,946 39.545,950 -0.765,952 76.578,953 85.282,954 0.274,955 0.583,956 0.786,957 0.9,958 0.924,959 0.933,960 5.314,961 2.051,962 6.205,963 6.005,964 4.844,965 5.283,966 3.944,967 6.999,968 4.734,969 6.484,970 1.819,971 7.751,972 5.757,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.771,979 1.639,980 9.4,981 5.262,982 6.415,983 7.382,984 6.086,985 11.001,986 6.215,987 9.091,988 1.618,989 11.112,990 4.583,991 6.781,992 7.996,993 5.238,994 12.762,995 6.514,996 10.446,997 1.539,998 12.867,999 3.793,1000 8.281,1001 9.834,1002 8.608,1003 15.413,1004 7.99,1005 11.826,1006 1.276,1007 14.653,1008 3.308,1009 9.054,1010 10.866,1011 7.914,1012 17.548,1013 8.697,1014 13.227,1015 1.26,1016 16.462,1017 2.946,1018 10.334,1019 12.501,1020 11.213,1021 20.039,1022 9.944,1023 3.268,1024 1.067,1025 18.29,1026 2.846,1027 11.307,1028 13.75,1029 10.72,1030 22.334,1031 10.852,1032 3.032,1033 11.472,1034 20.132,1035 2.698,1036 12.499,1037 15.293,1038 13.839,1039 24.772,1040 12.003,1041 2.795,1042 10.196,1043 21.986,1044 4.43,1045 13.568,1046 16.653,1047 13.531,1048 27.134,1049 13.008,1050 2.525,1051 9.065,1052 23.85,1053 3.952,1054 14.731,1055 18.156,1056 16.47,1057 29.556,1058 14.122,1059 2.446,1060 7.095,1061 25.721,1062 3.377,1063 15.846,1064 19.572,1065 16.323,1066 31.951,1067 15.175,1068 2.28,1069 6.965,1070 27.6,1071 2.945,1072 17.001,1073 21.057,1074 19.103,1075 34.37,1076 16.276,1077 2.139,1078 6.313,1079 29.484,1080 2.832,1081 18.14,1082 22.503,1083 19.094,1084 36.78,1085 17.352,1086 30374,1087 51013,1088 30.917,1089 52.387,1090 68.494,1091 73.494,1092 69.893,1093 68.306,1094 68.021,1095 83.837,1096 25.703,1097 191.378,1098 64.005,1099 5.493,1100 6.788,1101 6.679,1102 5.333,1103 5.268,1104 7.43,1105 7.434,1106 18.98,1107 5.029,1108 19.69,1109 1.489,1110 1.598,1111 1.519,1112 1.485,1113 1.479,1114 1.823,1115 0.559,1116 4.16,1117 1.391,1118 4.097,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.976,1125 3.997,1126 4.039,1127 3.928,1128 7.427,1129 3.908,1130 3.83,1131 3.89,1132 3.945,1133 3.677,1134 7.422,1135 3.665,1136 3.769,1137 3.797,1138 3.708,1139 3.616,1140 5.007,1141 3.619,1142 3.643,1143 3.697,1144 3.629,1145 3.439,1146 4.896,1147 3.449,1148 3.54,1149 3.593,1150 3.554,1151 3.402,1152 4.667,1153 3.4,1154 3.442,1155 3.49,1156 3.487,1157 3.275,1158 4.628,1159 3.282,1160 3.322,1161 3.368,1162 3.341,1163 3.145,1164 4.348,1165 3.141,1166 0.098,1167 0.104,1168 0.15,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.877,1176 0.249,1177 4.192,1178 0.066,1179 3.268,1180 4.43,1181 3.784,1182 11.472,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.942,1199 1.96,1200 1.176,1201 1.97,1202 1.659,1203 1.626,1204 1.826,1205 1.869,1206 1.107,1207 1.858,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.087,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.682,1218 0.871,1219 1.685,1220 1.434,1221 1.379,1222 1.636,1223 1.606,1224 0.825,1225 1.632,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1242 12.786,1247 5.647,1248 5.907,1249 5.379,1250 1.318,1251 -1.203,1252 3.811,1257 49.216,1258 130.289,1259 276.787,1260 373.359,1261 427.333,1262 438.842,1263 442.842,1264 109.829,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.91,1270 4.392,1271 3.644,1272 68.707,1273 227,1274 272,1275 0.138,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.385,1287 0.443,1288 0.343,1289 14.061,1290 18.676,1291 13.656,1292 11.141,1293 21.371,1294 15.797,1295 18.189,1296 0.289,1297 0.199,1298 19.584,1299 12.517,1300 15.031,1301 0.183,1302 0.116,1303 16.511,1304 9.519,1305 12.392,1306 0.116,1307 0.067,1308 13.974,1309 7.22,1310 10.463,1311 0.078,1312 0.039,1313 12.235,1314 5.313,1315 0.22,1316 137.534,1317 0.18,1318 37.857,1319 0.367,1320 218,1321 650.165,1322 293.01,1323 698.196,1324 912.88,1325 652,1326 254,1327 577.99,1328 319.014,1329 614.075,1330 904.47,1331 579,1332 4.921}
{0 CHEMBL42044,1 1.69,2 17.25,3 4.806,4 23.093,5 175.863,6 8.196,7 0.375,8 4.467,9 4.578,10 4.137,11 4.056,12 5.523,13 4.009,14 5.039,15 5.201,16 4.53,17 4.474,18 6.075,19 4.391,20 5.321,21 5.52,22 4.616,23 4.635,24 6.324,25 4.514,26 5.372,27 5.589,28 4.702,29 4.633,30 6.392,31 4.494,32 5.356,33 5.58,34 4.612,35 4.579,36 6.502,37 4.468,38 5.348,39 5.56,40 4.601,41 4.565,42 6.454,43 4.449,44 5.333,45 5.553,46 4.57,47 4.506,48 6.48,49 4.407,50 5.251,51 5.444,52 4.577,53 4.473,54 6.527,55 4.372,56 0.055,57 1.126,58 15.236,59 7.6,60 10.328,61 9.516,62 0.467,63 1.905,64 34.913,65 13.377,66 40.499,67 16.652,68 0.734,69 2.323,70 54,71 18.87,72 82.083,73 23.257,74 0.792,75 2.402,76 68.204,77 20.517,78 94.708,79 25.163,80 0.892,81 2.361,82 56.986,83 19.469,84 136.054,85 24.897,86 0.822,87 2.28,88 62.023,89 19.217,90 108.344,91 23.565,92 0.934,93 2.23,94 57.233,95 17.818,96 118.75,97 21.884,98 0.985,99 2.044,100 55.918,101 17.53,102 152.91,103 20.872,104 26,105 65,106 0.257,107 0.547,108 0.739,109 0.858,110 0.879,111 0.884,112 3.81,113 1.029,114 -4.65,115 -4.57,116 -4.3,119 41.3,121 2,125 8,127 1,128 1,138 12,139 4,140 2,151 3,163 15,165 1,166 4,169 2,171 3,172 25,175 2,176 4,179 1,181 2,183 18,187 7,190 1,192 3,194 18,197 3,198 7,201 3,203 4,205 11,208 1,209 9,214 5,217 11,220 1,221 9,224 1,226 6,227 7,230 1,231 10,234 2,235 1,236 4,238 8,241 2,242 9,247 1,249 10,252 5054,253 29.844,254 29.844,255 29.844,256 29.844,257 29.844,258 27.213,259 30.676,260 18.025,261 30.658,262 23.737,263 23.737,264 23.737,265 23.737,266 23.737,267 19.71,268 34.804,269 8.656,270 25.112,271 4.632,272 2.721,273 1.457,274 0.669,275 0.534,276 0.5,277 4.512,279 2,283 1,284 1641,285 4.416,287 143.722,288 688.314,295 2.818,296 52.576,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 94.667,308 759,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.266,319 3.669,320 6.204,321 3.893,322 2.894,323 3.914,324 1.963,325 9.175,326 2.892,327 4.109,328 3.615,329 6.168,330 3.74,331 2.796,332 3.388,333 1.909,334 9.037,335 2.622,336 3.791,337 3.513,338 5.513,339 3.475,340 2.526,341 3.274,342 1.859,343 7.152,344 2.442,345 3.675,346 3.259,347 5.34,348 3.439,349 2.485,350 2.87,351 0.901,352 6.966,353 2.355,354 3.583,355 3.003,356 5.327,357 3.36,358 2.369,359 2.812,360 0.86,361 6.856,362 2.301,363 3.516,364 2.935,365 5.133,366 3.228,367 2.253,368 2.715,369 0.8,370 6.215,371 2.204,372 3.482,373 2.885,374 4.983,375 3.058,376 2.127,377 2.519,378 0.561,379 5.852,380 1.882,381 3.204,382 2.649,383 4.804,384 2.774,385 1.794,386 2.484,387 0.215,388 5.056,389 1.767,390 2.979,391 2.563,392 4.589,393 2.645,394 1.725,395 2.088,397 4.427,398 1.549,399 2.77,400 2.176,401 4.386,402 2.519,403 1.614,404 1.879,406 4.325,407 1.436,408 2.73,409 1.838,410 3.999,411 2.41,412 1.526,413 1.748,415 3.308,416 1.301,417 2.611,418 1.818,419 3.715,420 2.296,421 1.3,422 1.604,424 3.125,425 1.266,426 2.561,427 1.68,428 3.553,429 2.177,430 1.258,431 1.514,433 2.838,434 1.137,435 2.5,436 1.678,437 3.472,438 2.112,439 1.174,440 1.5,442 2.702,443 1.059,444 21.695,445 0.493,446 0.976,447 0.022,448 50.75,449 1.153,450 22.5,451 0.511,452 28.25,453 0.642,454 49.109,455 1.116,456 47.905,457 0.599,458 43.963,459 0.999,460 9.87,461 0.224,462 11.499,463 0.261,464 0.112,466 0.29,472 0.681,473 1.299,474 0.638,475 0.955,476 0.525,477 0.926,478 0.871,479 1.114,480 0.863,481 0.969,482 0.587,483 0.962,484 1.042,485 0.989,486 0.997,487 0.985,488 1.054,489 1.006,490 0.963,491 1.048,492 0.928,493 1.04,494 1.145,495 1.002,496 0.747,497 1.01,498 0.752,499 0.941,500 0.85,501 0.882,502 1.128,503 1.082,504 0.968,505 1.035,506 1.31,507 1.01,508 1.315,509 0.92,510 0.918,511 0.868,512 1.54,513 0.878,514 1.173,515 1.082,516 1.1,517 1.113,518 1.455,519 1.019,520 8,521 0.377,522 4.222,523 2.951,524 2.273,525 1.699,526 1.011,527 0.848,528 0.505,529 0.412,530 37733,531 104587,532 2.084,533 45,535 29,536 1,538 2,539 2,541 2,542 1.824,543 1.97,544 4.018,545 0.126,550 135.172,551 1.69,552 3.601,553 4.865,554 5.653,555 5.787,556 5.822,557 3.53,558 5.096,559 5.424,560 4.242,561 4013.26,562 9.623,563 78729.1,568 505.754,569 1.325,570 5.399,571 0.167,572 0.007,573 0.065,574 0.045,575 0.036,576 0.025,577 0.016,578 0.014,579 0.008,580 0.007,581 0.39,582 0.17,583 0.63,584 0.481,585 259.325,586 -0.034,587 -0.119,588 0.033,589 -0.006,590 -0.014,591 0.013,592 -0.015,593 0.039,594 -0.022,595 0.025,596 0.016,597 -0.021,598 -0.074,599 0.056,600 -0.047,601 0.022,602 -0.099,603 -0.034,604 -0.01,605 -0.028,606 0.095,607 0.003,608 -0.058,609 -0.008,610 0.203,611 -0.003,612 0.132,613 0.049,614 0.233,615 0.101,616 -0.03,617 -0.08,618 0.009,619 -0.049,620 -0.044,621 -0.04,622 -0.071,623 0.087,624 0.038,625 0.08,626 -0.064,627 0.066,628 0.107,629 -0.077,630 -0.018,631 -0.085,632 0.142,633 -0.056,634 1.989,635 6.608,636 0.659,637 70.345,638 1.006,639 1.121,640 3.424,641 11.722,642 0.689,643 3.892,644 4.19,645 4.431,646 4.682,647 4.898,648 4.927,649 5.043,650 5.112,651 5.182,652 5.204,653 10.026,654 0.647,655 655.7,656 3.892,657 5.425,658 6.26,659 7.124,660 7.978,661 8.851,662 9.717,663 10.595,664 11.469,665 12.352,666 5,669 1,673 3,681 12,686 6,688 18,702 2,703 80,705 21,706 3,707 48,709 84,710 33,711 18,712 6,713 12,717 5,718 5,719 2,724 1,727 3,729 21,730 12,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 4,783 2,784 1,792 1,795 1,796 5,797 1,799 1,802 2,805 44,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5,828 3,829 1,832 22.333,833 13.936,834 9.75,835 4.81,836 2.663,837 1.317,838 0.968,839 12.014,840 11.062,841 4.111,842 4.61,843 5.064,844 5.54,845 6.032,846 6.119,847 6.415,848 6.691,849 6.932,850 7.027,851 0.917,852 66,853 16.462,854 7.102,855 7.778,856 31.426,857 26.067,859 2.278,860 100.222,864 400.217,865 206.68,866 42.27,867 78.297,868 86.435,870 32.22,871 174.46,872 564.949,873 42.27,875 66.034,876 113.715,877 100.549,878 22.868,879 11.771,880 420.666,881 78.297,882 400.217,883 216.731,884 86.435,885 110.517,887 376.675,888 98.977,889 11,891 69.158,892 147.572,893 78.297,894 32.22,895 400.217,896 128.705,897 284.977,900 400.217,901 92.965,902 119.964,903 36.022,904 164.732,905 400.217,906 128.705,907 284.977,909 0.573,910 0.327,911 0.178,912 0.101,913 28,914 13,915 0.143,916 12,918 1,919 5.397,920 436.42,922 29,923 232.215,924 1,928 32.798,929 16.118,930 9.229,932 128.705,933 23.147,938 4.684,940 36.022,941 813.9,942 60,946 39.588,950 -0.758,952 80.461,953 89.697,954 0.267,955 0.57,956 0.77,957 0.894,958 0.915,959 0.921,960 5.349,961 2.127,962 6.225,963 6.215,964 4.875,965 5.298,966 3.944,967 6.999,968 4.769,969 6.508,970 1.794,971 7.757,972 5.852,973 4.369,974 4.956,975 2.909,976 7.823,977 4.189,978 7.783,979 1.725,980 9.392,981 5.056,982 6.428,983 7.32,984 6.086,985 10.942,986 6.231,987 9.087,988 1.614,989 11.088,990 4.427,991 6.758,992 7.774,993 5.238,994 12.657,995 6.484,996 10.424,997 1.526,998 12.828,999 4.325,1000 8.267,1001 9.638,1002 8.608,1003 15.298,1004 7.971,1005 11.784,1006 1.3,1007 14.598,1008 3.308,1009 9.006,1010 10.477,1011 7.914,1012 17.406,1013 8.626,1014 13.162,1015 1.258,1016 16.392,1017 3.125,1018 10.286,1019 12.119,1020 11.213,1021 19.891,1022 9.874,1023 3.266,1024 1.174,1025 18.205,1026 2.838,1027 11.233,1028 13.17,1029 10.72,1030 22.175,1031 10.734,1032 2.894,1033 11.459,1034 20.033,1035 2.702,1036 12.422,1037 14.695,1038 13.839,1039 24.613,1040 11.876,1041 2.796,1042 9.175,1043 21.875,1044 3.947,1045 13.474,1046 15.87,1047 13.531,1048 26.975,1049 12.842,1050 2.526,1051 9.037,1052 23.728,1053 3.914,1054 14.631,1055 17.329,1056 16.47,1057 29.401,1058 13.94,1059 2.485,1060 7.152,1061 25.59,1062 3.388,1063 15.736,1064 18.579,1065 16.323,1066 31.8,1067 14.96,1068 2.369,1069 6.966,1070 27.46,1071 3.274,1072 16.888,1073 19.999,1074 19.103,1075 34.227,1076 16.042,1077 2.253,1078 6.856,1079 29.337,1080 2.87,1081 18.021,1082 21.295,1083 19.094,1084 36.643,1085 17.09,1086 35413,1087 59270,1088 32.304,1089 55.148,1090 71.404,1091 75.95,1092 72.361,1093 71.171,1094 70.782,1095 86.974,1096 25.703,1097 196.415,1098 66.748,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.009,1108 20.474,1109 1.488,1110 1.582,1111 1.508,1112 1.483,1113 1.475,1114 1.812,1115 0.535,1116 4.092,1117 1.391,1118 4.03,1119 4.057,1120 4.168,1121 3.978,1122 7.435,1123 3.969,1124 3.963,1125 3.983,1126 3.966,1127 3.919,1128 7.427,1129 3.901,1130 3.829,1131 3.89,1132 3.942,1133 3.708,1134 7.422,1135 3.699,1136 3.788,1137 3.822,1138 3.708,1139 3.67,1140 5.015,1141 3.658,1142 3.748,1143 3.779,1144 3.69,1145 3.615,1146 4.837,1147 3.616,1148 3.63,1149 3.681,1150 3.581,1151 3.413,1152 4.629,1153 3.43,1154 3.491,1155 3.545,1156 3.546,1157 3.286,1158 4.627,1159 3.296,1160 3.326,1161 3.372,1162 3.436,1163 3.139,1164 4.61,1165 3.136,1166 0.092,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.432,1172 0.082,1173 4.788,1174 0.079,1175 6.875,1176 0.239,1177 4.19,1178 0.063,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.998,1185 1.975,1186 2.099,1187 2.064,1188 1.299,1189 2.077,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.23,1195 2.002,1196 1.781,1197 1.748,1198 1.944,1199 1.961,1200 1.176,1201 1.97,1202 1.765,1203 1.701,1204 1.924,1205 1.898,1206 1.107,1207 1.906,1208 1.646,1209 1.613,1210 1.825,1211 1.853,1212 1.088,1213 1.847,1214 1.58,1215 1.528,1216 1.774,1217 1.785,1218 1.003,1219 1.79,1220 1.437,1221 1.381,1222 1.641,1223 1.663,1224 0.868,1225 1.666,1226 1.263,1227 1.212,1228 1.513,1229 1.481,1230 0.825,1231 1.489,1232 4.575,1233 5.878,1234 2.398,1235 7.365,1236 4.844,1237 8.936,1238 7.018,1239 10.553,1242 12.662,1247 5.642,1248 5.9,1249 5.383,1250 1.328,1251 -1.178,1252 3.822,1257 51.742,1258 135.172,1259 288.098,1260 389.225,1261 452.244,1262 462.999,1263 465.754,1264 116.29,1265 8.399,1266 90.98,1267 116.28,1268 29,1269 12.888,1270 4.459,1271 3.7,1272 73.916,1273 257,1274 292,1275 0.132,1276 326.181,1277 581.37,1278 787.641,1279 63020,1280 2.5,1281 30.89,1282 0.702,1283 0.606,1284 32.244,1285 26.674,1286 21.368,1287 0.445,1288 0.343,1289 14.722,1290 19.659,1291 14.294,1292 11.692,1293 22.354,1294 16.458,1295 18.98,1296 0.292,1297 0.199,1298 20.375,1299 12.945,1300 15.463,1301 0.186,1302 0.117,1303 16.916,1304 9.674,1305 12.763,1306 0.119,1307 0.069,1308 14.599,1309 7.39,1310 10.355,1311 0.078,1312 0.038,1313 11.677,1314 5.102,1315 0.212,1316 143.433,1317 0.176,1318 39.497,1319 0.347,1320 226,1321 668.165,1322 301.01,1323 717.585,1324 938.3,1325 670,1326 261,1327 594.99,1328 326.014,1329 632.669,1330 928.2,1331 596,1332 5.886}
{0 CHEMBL42046,1 1.849,2 15.175,3 4.616,4 21.307,5 160.336,6 9.264,7 0.279,8 4.344,9 4.447,10 4.111,11 3.93,12 5.418,13 3.885,14 4.928,15 5.085,16 4.539,17 4.358,18 6.004,19 4.276,20 5.21,21 5.397,22 4.646,23 4.526,24 6.27,25 4.404,26 5.254,27 5.458,28 4.71,29 4.509,30 6.335,31 4.367,32 5.217,33 5.433,34 4.642,35 4.424,36 6.441,37 4.316,38 5.188,39 5.387,40 4.588,41 4.405,42 6.382,43 4.303,44 5.177,45 5.375,46 4.57,47 4.376,48 6.42,49 4.289,50 5.112,51 5.283,52 4.619,53 4.381,54 6.438,55 4.273,56 0.149,57 0.985,58 10.5,59 6.439,60 14.371,61 7.709,62 0.616,63 1.644,64 28.929,65 11.799,66 44.778,67 13.865,68 1.001,69 1.949,70 51.32,71 17.087,72 98.325,73 19.706,74 1.112,75 1.985,76 67.985,77 18.666,78 117.443,79 21.394,80 1.213,81 1.925,82 59.413,83 17.339,84 152.528,85 20.876,86 1.105,87 1.837,88 56.226,89 16.632,90 125.399,91 19.011,92 1.214,93 1.799,94 51.139,95 15.562,96 140.808,97 17.53,98 1.169,99 1.681,100 53.714,101 15.923,102 157.701,103 17.518,104 50,105 59,106 0.291,107 0.576,108 0.769,109 0.873,110 0.892,111 0.892,112 3.717,113 1.071,114 -4.4,115 -4.33,116 -4.09,119 38.6,121 2,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 4,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 1,183 10,187 7,190 1,192 3,194 8,197 3,198 6,201 3,203 4,205 3,208 1,209 9,214 3,217 7,220 1,221 9,224 1,226 4,227 5,230 1,231 6,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 7,252 4026,253 26.568,254 26.568,255 26.568,256 26.568,257 26.568,258 24.52,259 32.533,260 15.822,261 27.629,262 21.21,263 21.21,264 21.21,265 21.21,266 21.21,267 18.028,268 35.43,269 7.581,270 23.088,271 4.28,272 2.466,273 1.243,274 0.582,275 0.457,276 0.457,277 4.407,279 4,283 1,284 1286,285 4.416,287 130.381,288 474.47,295 2.551,296 58.7,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 87.333,308 607,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.233,319 3.669,320 6.204,321 3.8,322 2.862,323 3.881,324 1.963,325 9.037,326 2.659,327 4.108,328 3.615,329 6.065,330 3.736,331 2.794,332 3.387,333 1.909,334 8.744,335 2.608,336 3.696,337 3.515,338 5.509,339 3.45,340 2.525,341 2.878,342 1.859,343 7.113,344 2.394,345 3.593,346 3.263,347 5.34,348 3.415,349 2.44,350 2.812,351 0.901,352 6.965,353 2.306,354 3.516,355 3.242,356 5.135,357 3.258,358 2.277,359 2.764,360 0.86,361 6.215,362 2.223,363 3.489,364 3.001,365 5.002,366 3.066,367 2.154,368 2.697,369 0.8,370 5.913,371 1.883,372 3.432,373 2.885,374 4.917,375 2.941,376 2.078,377 2.519,378 0.561,379 5.654,380 1.71,381 2.981,382 2.768,383 4.811,384 2.658,385 1.764,386 2.09,387 0.215,388 5.074,389 1.549,390 2.885,391 2.649,392 4.593,393 2.52,394 1.614,395 2.016,397 4.415,398 1.438,399 2.735,400 2.176,401 4.218,402 2.465,403 1.554,404 1.749,406 3.903,407 1.346,408 2.611,409 2.073,410 3.998,411 2.391,412 1.478,413 1.604,415 3.308,416 1.268,417 2.561,418 1.819,419 3.715,420 2.177,421 1.259,422 1.514,424 3.124,425 1.137,426 2.311,427 1.68,428 3.474,429 2.112,430 1.174,431 1.295,433 2.703,434 1.059,435 2,436 1.678,437 3.277,438 1.952,439 1,440 1,442 2.136,443 0.946,444 20.124,445 0.503,446 1.052,447 0.026,448 42.75,449 1.069,450 16.5,451 0.413,452 26.25,453 0.656,454 47.996,455 1.2,456 44.676,457 0.638,458 35.947,459 0.899,460 8.158,461 0.204,462 11.049,463 0.276,464 0.192,466 0.313,472 0.674,473 1.395,474 0.56,475 0.897,476 0.518,477 0.89,478 0.842,479 1.149,480 0.742,481 0.885,482 0.566,483 0.898,484 1.061,485 1,486 0.967,487 0.953,488 1.053,489 0.988,490 0.998,491 1.079,492 0.96,493 1.066,494 1.163,495 1.026,496 0.749,497 1,498 0.713,499 0.916,500 0.858,501 0.853,502 1.047,503 1.052,504 0.829,505 0.974,506 1.251,507 0.947,508 1.236,509 0.9,510 0.848,511 0.851,512 1.509,513 0.865,514 1.094,515 1.104,516 1.002,517 1.094,518 1.381,519 1.042,520 8.5,521 0.361,522 4.444,523 3.076,524 2.433,525 1.616,526 0.992,527 0.805,528 0.497,529 0.432,530 27196,531 93649,532 2.021,533 42.9,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.833,545 0.224,550 129.461,551 1.849,552 3.663,553 4.886,554 5.547,555 5.672,556 5.672,557 3.354,558 5.022,559 5.285,560 4.082,561 3183.81,562 9.355,563 57561.4,568 429.05,569 1.467,570 5.242,571 0.198,572 0.007,573 0.075,574 0.051,575 0.043,576 0.027,577 0.018,578 0.014,579 0.009,580 0.008,581 0.452,582 0.17,583 0.75,584 0.573,585 228.134,586 -0.053,587 -0.165,588 0.015,589 -0.016,590 -0.009,591 0.001,592 -0.042,593 0.032,594 0.001,595 0.068,596 0.032,597 0.017,598 -0.121,599 0.052,600 -0.06,601 0.039,602 -0.11,603 -0.024,604 -0.052,605 -0.06,606 0.031,607 -0.026,608 -0.085,609 -0.032,610 0.192,611 0.005,612 0.147,613 0.067,614 0.223,615 0.13,616 -0.021,617 -0.043,618 0.034,619 -0.007,620 -0.011,621 0.014,622 -0.091,623 0.114,624 0.009,625 0.087,626 -0.069,627 0.069,628 0.039,629 -0.09,630 -0.028,631 -0.071,632 0.065,633 -0.083,634 2.027,635 6.467,636 0.575,637 59.748,638 1.019,639 1.125,640 3.172,641 10.06,642 0.705,643 3.784,644 4.094,645 4.317,646 4.554,647 4.762,648 4.787,649 4.86,650 4.934,651 5.024,652 5.05,653 9.097,654 0.662,655 648.48,656 3.784,657 5.323,658 6.155,659 7.022,660 7.876,661 8.75,662 9.616,663 10.496,664 11.371,665 12.257,666 5.7,669 1,673 3,681 6,686 6,688 12,702 4,703 70,705 15,706 2,707 43,709 73,710 27,711 12,712 6,713 6,717 4,718 4,719 4,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 30,748 8,749 2,750 13,751 5,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 4,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 4,825 5.7,828 3,829 1,832 21.333,833 12.221,834 8.833,835 4.16,836 1.628,837 1.205,838 0.95,839 12.123,840 9.577,841 3.97,842 4.466,843 4.871,844 5.292,845 5.743,846 5.769,847 5.844,848 6.078,849 6.308,850 6.343,851 1,852 60,853 14.965,854 6.48,855 7.911,856 28.17,857 23.235,859 2.411,860 96.444,864 329.591,865 150.453,866 42.27,867 156.595,868 86.435,870 32.22,871 118.233,872 572.62,873 42.27,875 66.034,876 56.857,877 100.549,878 23.498,879 11.771,880 350.039,881 156.595,882 329.591,883 160.503,884 86.435,885 188.814,887 306.049,888 98.977,889 11,891 69.158,892 91.345,893 156.595,894 32.22,895 329.591,896 128.705,897 307.047,900 329.591,901 93.595,902 63.106,903 36.022,904 243.029,905 329.591,906 128.705,907 307.047,909 0.58,910 0.329,911 0.173,912 0.099,913 25,914 13,915 0.151,916 11,918 1,919 4.971,920 380.175,922 23,923 208.877,924 1,928 31.696,929 15.299,930 9.131,932 128.705,933 10.036,938 3.157,940 36.022,941 765.343,942 52,946 39.118,950 -0.899,952 71.342,953 78.755,954 0.302,955 0.598,956 0.797,957 0.905,958 0.925,959 0.925,960 5.226,961 2.078,962 6.138,963 5.913,964 4.779,965 5.153,966 3.944,967 6.921,968 4.615,969 6.393,970 1.764,971 7.683,972 5.654,973 4.369,974 4.956,975 2.909,976 7.771,977 4.074,978 7.678,979 1.614,980 9.327,981 5.074,982 6.347,983 7.171,984 6.086,985 10.876,986 6.052,987 8.99,988 1.554,989 11.03,990 4.415,991 6.735,992 7.745,993 5.238,994 12.594,995 6.315,996 10.334,997 1.478,998 12.773,999 3.903,1000 8.198,1001 9.495,1002 8.608,1003 15.239,1004 7.766,1005 11.699,1006 1.259,1007 14.546,1008 3.308,1009 8.971,1010 10.426,1011 7.914,1012 17.35,1013 8.419,1014 13.081,1015 1.174,1016 16.341,1017 3.124,1018 10.23,1019 11.991,1020 11.213,1021 19.842,1022 9.645,1023 3.266,1024 1,1025 18.155,1026 2.703,1027 11.196,1028 13.107,1029 10.72,1030 22.13,1031 10.498,1032 2.862,1033 11.459,1034 19.985,1035 2.136,1036 12.376,1037 14.583,1038 13.839,1039 24.574,1040 11.625,1041 2.794,1042 9.037,1043 21.828,1044 3.947,1045 13.438,1046 15.801,1047 13.531,1048 26.941,1049 12.584,1050 2.525,1051 8.744,1052 23.683,1053 3.881,1054 14.594,1055 17.229,1056 16.47,1057 29.372,1058 13.672,1059 2.44,1060 7.113,1061 25.546,1062 3.387,1063 15.705,1064 18.507,1065 16.323,1066 31.775,1067 14.686,1068 2.277,1069 6.965,1070 27.419,1071 2.878,1072 16.857,1073 19.908,1074 19.103,1075 34.206,1076 15.761,1077 2.154,1078 6.215,1079 29.298,1080 2.812,1081 17.994,1082 21.22,1083 19.094,1084 36.625,1085 16.806,1086 26121,1087 48773,1088 28.145,1089 49.341,1090 63.88,1091 68.941,1092 65.667,1093 63.912,1094 63.355,1095 75.569,1096 25.703,1097 178.303,1098 57.685,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 23.081,1109 1.486,1110 1.603,1111 1.527,1112 1.486,1113 1.473,1114 1.757,1115 0.598,1116 4.147,1117 1.342,1118 3.996,1119 4.019,1120 4.17,1121 3.94,1122 7.435,1123 3.921,1124 3.919,1125 3.937,1126 4.083,1127 3.877,1128 7.427,1129 3.864,1130 3.829,1131 3.889,1132 3.958,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.022,1141 3.618,1142 3.633,1143 3.685,1144 3.64,1145 3.413,1146 4.999,1147 3.431,1148 3.496,1149 3.55,1150 3.583,1151 3.289,1152 4.667,1153 3.299,1154 3.328,1155 3.374,1156 3.549,1157 3.141,1158 4.629,1159 3.138,1160 3.124,1161 3.206,1162 3.456,1163 2.999,1164 4.627,1165 2.98,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.092,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.9,1185 1.884,1186 1.987,1187 2.004,1188 1.299,1189 2.002,1190 1.896,1191 1.881,1192 1.97,1193 1.98,1194 1.18,1195 1.99,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.86,1206 1.098,1207 1.85,1208 1.581,1209 1.528,1210 1.773,1211 1.796,1212 1.081,1213 1.797,1214 1.437,1215 1.381,1216 1.641,1217 1.665,1218 0.868,1219 1.667,1220 1.264,1221 1.214,1222 1.513,1223 1.483,1224 0.825,1225 1.491,1226 1.153,1227 1.09,1228 1.482,1229 1.376,1230 0.665,1231 1.429,1232 4.466,1233 5.778,1234 2.398,1235 7.266,1236 4.844,1237 8.839,1238 7.018,1239 10.46,1242 24.8,1247 5.332,1248 5.717,1249 5.363,1250 1.287,1251 -1.239,1252 3.772,1257 46.344,1258 129.461,1259 256.413,1260 342.03,1261 388.295,1262 397.05,1263 397.05,1264 124.577,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.792,1270 4,1271 3.322,1272 73.017,1273 207,1274 252,1275 0.16,1276 301.468,1277 539.17,1278 727.342,1279 33867,1280 5.7,1281 28.648,1282 0.716,1283 0.637,1284 31.001,1285 25.478,1286 19.206,1287 0.447,1288 0.357,1289 12.916,1290 16.896,1291 12.474,1292 10.126,1293 20.769,1294 15.348,1295 17.445,1296 0.296,1297 0.211,1298 19.619,1299 12.458,1300 13.91,1301 0.188,1302 0.125,1303 16.006,1304 9.238,1305 11.166,1306 0.119,1307 0.074,1308 13.471,1309 6.95,1310 9.042,1311 0.078,1312 0.042,1313 11.053,1314 4.864,1315 0.255,1316 136.813,1317 0.188,1318 36.428,1319 0.428,1320 204,1321 668.572,1322 310.049,1323 770.1,1324 976.82,1325 714,1326 235,1327 567.716,1328 321.483,1329 620.399,1330 911.46,1331 583,1332 5.398}
{0 CHEMBL42060,1 1.805,2 15.051,3 3.952,4 15.614,5 155.531,6 8.772,7 0.286,8 4.34,9 4.447,10 4.063,11 3.913,12 5.402,13 3.868,14 4.923,15 5.086,16 4.476,17 4.336,18 5.978,19 4.253,20 5.203,21 5.398,22 4.584,23 4.501,24 6.239,25 4.378,26 5.249,27 5.459,28 4.655,29 4.486,30 6.317,31 4.343,32 5.21,33 5.434,34 4.516,35 4.397,36 6.398,37 4.29,38 5.184,39 5.388,40 4.556,41 4.391,42 6.373,43 4.288,44 5.173,45 5.375,46 4.499,47 4.36,48 6.378,49 4.269,50 5.107,51 5.284,52 4.586,53 4.361,54 6.424,55 4.255,56 0.113,57 0.995,58 12.046,59 6.566,60 12.24,61 8.026,62 0.558,63 1.658,64 30.636,65 11.769,66 42.384,67 14.247,68 0.886,69 1.968,70 50.397,71 16.778,72 89.733,73 19.965,74 1.008,75 1.997,76 67.404,77 18.27,78 108.62,79 21.527,80 1.044,81 1.938,82 53.745,83 16.79,84 140.659,85 20.84,86 1.006,87 1.842,88 55.848,89 16.294,90 119.362,91 19.148,92 1.072,93 1.804,94 51.039,95 15.238,96 126.292,97 17.737,98 1.074,99 1.693,100 52.884,101 15.624,102 150.331,103 17.705,104 37,105 57,106 0.284,107 0.572,108 0.768,109 0.87,110 0.888,111 0.892,112 3.693,113 1.062,114 -4.21,115 -4.15,116 -3.92,119 38.6,121 2,125 8,127 1,128 1,138 7,139 2,140 3,151 3,163 6,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 1,183 8,187 7,190 1,192 4,194 9,197 3,198 6,201 3,203 3,205 2,208 1,209 10,214 3,217 8,220 1,221 8,224 1,226 4,227 4,230 1,231 6,234 2,235 1,236 3,238 7,241 2,242 9,247 1,249 6,252 3797,253 26.12,254 26.12,255 26.12,256 26.12,257 26.12,258 24.097,259 30.932,260 15.685,261 27.045,262 20.727,263 20.727,264 20.727,265 20.727,266 20.727,267 17.618,268 33.818,269 7.504,270 22.338,271 4.325,272 2.492,273 1.245,274 0.6,275 0.486,276 0.457,277 4.384,279 3,283 1,284 1247,285 4.359,287 126.757,288 461.543,295 2.471,296 54.714,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 85,308 587,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.164,319 3.669,320 6.204,321 3.758,322 2.811,323 3.775,324 1.963,325 9.037,326 2.642,327 4.107,328 3.615,329 6.023,330 3.725,331 2.784,332 3.387,333 1.909,334 8.556,335 2.597,336 3.693,337 3.515,338 5.509,339 3.449,340 2.525,341 2.871,342 1.859,343 7.111,344 2.391,345 3.589,346 3.26,347 5.34,348 3.412,349 2.436,350 2.812,351 0.901,352 6.965,353 2.306,354 3.516,355 3.184,356 5.135,357 3.253,358 2.273,359 2.713,360 0.86,361 6.215,362 2.22,363 3.484,364 3.001,365 5,366 3.062,367 2.142,368 2.519,369 0.8,370 5.895,371 1.882,372 2.982,373 2.885,374 4.812,375 2.665,376 1.766,377 2.098,378 0.561,379 5.077,380 1.564,381 2.916,382 2.649,383 4.593,384 2.522,385 1.614,386 2.076,387 0.215,388 4.414,389 1.489,390 2.846,391 2.176,392 4.189,393 2.496,394 1.557,395 1.978,397 3.837,398 1.422,399 2.735,400 2.091,401 3.998,402 2.398,403 1.48,404 1.749,406 3.308,407 1.27,408 2.611,409 1.819,410 3.715,411 2.341,412 1.414,413 1.604,415 3.124,416 1.233,417 2.561,418 1.68,419 3.603,420 2.177,421 1.259,422 1.514,424 2.981,425 1.137,426 2.311,427 1.678,428 3.472,429 2.112,430 1.174,431 1.295,433 2.703,434 1.059,435 2,436 1.554,437 3.255,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.41,445 0.498,446 0.945,447 0.024,448 42,449 1.077,450 16.5,451 0.423,452 25.5,453 0.654,454 45.26,455 1.161,456 43.59,457 0.623,458 35.118,459 0.9,460 8.085,461 0.207,462 10.728,463 0.275,464 0.162,466 0.299,472 0.681,473 1.396,474 0.589,475 0.94,476 0.518,477 0.922,478 0.856,479 1.154,480 0.79,481 0.93,482 0.575,483 0.933,484 1.051,485 1.001,486 0.962,487 0.955,488 1.05,489 0.985,490 1.011,491 1.08,492 1.003,493 1.091,494 1.173,495 1.038,496 0.783,497 0.989,498 0.745,499 0.912,500 0.877,501 0.844,502 1.075,503 1.048,504 0.868,505 0.988,506 1.27,507 0.948,508 1.338,509 0.898,510 0.93,511 0.865,512 1.605,513 0.883,514 1.095,515 1.1,516 1.005,517 1.088,518 1.387,519 1.025,520 7.5,521 0.324,522 4.222,523 2.889,524 2.162,525 1.616,526 0.91,527 0.805,528 0.472,529 0.412,530 25521,531 81390,532 2.037,533 44.3,535 24,536 1,538 2,539 2,541 2,542 1.797,543 1.902,544 3.817,545 0.213,550 126.333,551 1.805,552 3.637,553 4.884,554 5.529,555 5.644,556 5.672,557 3.338,558 5.132,559 5.248,560 4.056,561 3005.79,562 9.282,563 53276.8,568 429.05,569 1.42,570 5.213,571 0.179,572 0.007,573 0.074,574 0.05,575 0.04,576 0.028,577 0.017,578 0.015,579 0.009,580 0.008,581 0.426,582 0.33,583 0.75,584 0.551,585 220.69,586 -0.049,587 -0.165,588 0.022,589 -0.018,590 -0.009,591 0.001,592 -0.034,593 0.025,594 -0.007,595 0.047,596 0.023,597 -0.003,598 -0.099,599 0.049,600 -0.036,601 0.045,602 -0.101,603 -0.017,604 -0.04,605 -0.064,606 0.04,607 -0.039,608 -0.075,609 -0.044,610 0.165,611 0.014,612 0.115,613 0.07,614 0.214,615 0.135,616 -0.005,617 -0.044,618 0.049,619 -0.009,620 0.007,621 0.015,622 -0.137,623 0.11,624 -0.019,625 0.082,626 -0.119,627 0.052,628 0.078,629 -0.088,630 0.016,631 -0.052,632 0.097,633 -0.061,634 1.998,635 6.44,636 0.59,637 57.757,638 1.015,639 1.126,640 2.982,641 8.89,642 0.693,643 3.761,644 4.06,645 4.29,646 4.522,647 4.718,648 4.754,649 4.836,650 4.92,651 4.997,652 5.024,653 8.931,654 0.65,655 614.04,656 3.761,657 5.293,658 6.125,659 6.987,660 7.84,661 8.712,662 9.577,663 10.456,664 11.33,665 12.215,666 5.7,669 1,673 3,681 7,686 5,688 12,702 3,703 70,705 15,706 2,707 42,709 73,710 27,711 12,712 5,713 7,717 4,718 4,719 3,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 31,748 8,749 2,750 12,751 4,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 3,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 3,825 5.7,828 3,829 1,832 20.5,833 12.162,834 8.667,835 4.179,836 1.599,837 1.203,838 0.95,839 11.645,840 9.484,841 3.951,842 4.431,843 4.836,844 5.246,845 5.679,846 5.697,847 5.809,848 6.061,849 6.271,850 6.318,851 1,852 58,853 14.601,854 6.301,855 7.876,856 27.609,857 22.758,859 2.376,860 92.667,864 341.362,865 156.428,866 42.27,867 117.446,868 86.435,870 32.22,871 124.209,872 545.243,873 42.27,875 66.034,876 66.334,877 100.549,878 19.997,879 11.771,880 361.81,881 117.446,882 341.362,883 166.479,884 86.435,885 149.665,887 317.82,888 98.977,889 11,891 69.158,892 97.321,893 117.446,894 32.22,895 341.362,896 128.705,897 273.874,900 341.362,901 90.095,902 72.582,903 36.022,904 203.881,905 341.362,906 128.705,907 273.874,909 0.576,910 0.329,911 0.174,912 0.096,913 24,914 12,915 0.151,916 11,918 1,919 4.925,920 366.54,922 23,923 202.131,924 1,928 30.439,929 14.92,930 8.731,932 128.705,933 12.304,938 2.878,940 36.022,941 743.941,942 51,946 39.023,950 -0.826,952 71.018,953 78.811,954 0.294,955 0.593,956 0.797,957 0.902,958 0.921,959 0.925,960 5.198,961 1.766,962 6.098,963 5.895,964 4.745,965 5.118,966 3.944,967 6.876,968 4.599,969 6.355,970 1.614,971 7.639,972 5.077,973 4.29,974 4.856,975 2.909,976 7.724,977 4.032,978 7.633,979 1.557,980 9.281,981 4.414,982 6.304,983 7.114,984 6.086,985 10.837,986 6.034,987 8.939,988 1.48,989 10.985,990 3.837,991 6.673,992 7.645,993 5.238,994 12.568,995 6.287,996 10.279,997 1.414,998 12.731,999 3.308,1000 8.155,1001 9.422,1002 8.608,1003 15.212,1004 7.748,1005 11.641,1006 1.259,1007 14.507,1008 3.124,1009 8.921,1010 10.323,1011 7.914,1012 17.332,1013 8.397,1014 13.021,1015 1.174,1016 16.307,1017 2.981,1018 10.189,1019 11.903,1020 11.213,1021 19.824,1022 9.627,1023 3.266,1024 1,1025 18.125,1026 2.703,1027 11.153,1028 12.994,1029 10.72,1030 22.117,1031 10.478,1032 2.811,1033 11.459,1034 19.958,1035 2.136,1036 12.338,1037 14.478,1038 13.839,1039 24.562,1040 11.607,1041 2.784,1042 9.037,1043 21.805,1044 3.947,1045 13.4,1046 15.675,1047 13.531,1048 26.931,1049 12.565,1050 2.525,1051 8.556,1052 23.662,1053 3.775,1054 14.558,1055 17.106,1056 16.47,1057 29.364,1058 13.653,1059 2.436,1060 7.111,1061 25.528,1062 3.387,1063 15.67,1064 18.366,1065 16.323,1066 31.768,1067 14.667,1068 2.273,1069 6.965,1070 27.402,1071 2.871,1072 16.824,1073 19.767,1074 19.103,1075 34.2,1076 15.744,1077 2.142,1078 6.215,1079 29.283,1080 2.812,1081 17.963,1082 21.064,1083 19.094,1084 36.621,1085 16.789,1086 24447,1087 43923,1088 27.739,1089 48.483,1090 62.178,1091 66.852,1092 63.852,1093 62.226,1094 61.678,1095 73.7,1096 25.703,1097 171.904,1098 56.835,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 20.841,1109 1.48,1110 1.592,1111 1.52,1112 1.482,1113 1.469,1114 1.755,1115 0.612,1116 4.093,1117 1.353,1118 3.995,1119 4.019,1120 4.168,1121 3.939,1122 7.435,1123 3.919,1124 3.914,1125 3.938,1126 4.009,1127 3.864,1128 7.427,1129 3.853,1130 3.829,1131 3.889,1132 3.956,1133 3.674,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.015,1141 3.618,1142 3.633,1143 3.686,1144 3.583,1145 3.413,1146 4.931,1147 3.431,1148 3.495,1149 3.55,1150 3.55,1151 3.287,1152 4.629,1153 3.297,1154 3.327,1155 3.374,1156 3.456,1157 3.137,1158 4.627,1159 3.135,1160 3.121,1161 3.206,1162 3.292,1163 2.988,1164 4.347,1165 2.971,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.906,1185 1.883,1186 2.007,1187 2.004,1188 1.299,1189 2.004,1190 1.896,1191 1.881,1192 1.987,1193 1.992,1194 1.18,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.861,1206 1.099,1207 1.851,1208 1.581,1209 1.528,1210 1.778,1211 1.799,1212 1.081,1213 1.799,1214 1.437,1215 1.381,1216 1.642,1217 1.666,1218 0.868,1219 1.668,1220 1.267,1221 1.213,1222 1.513,1223 1.487,1224 0.825,1225 1.498,1226 1.153,1227 1.09,1228 1.497,1229 1.376,1230 0.675,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.231,1236 4.844,1237 8.8,1238 7.018,1239 10.416,1242 18.748,1247 5.515,1248 5.754,1249 5.363,1250 1.306,1251 -1.19,1252 3.791,1257 45.516,1258 126.333,1259 254.62,1260 341.889,1261 387.05,1262 395.05,1263 397.05,1264 116.283,1265 7.885,1266 90.98,1267 116.28,1268 23,1269 12.75,1270 4,1271 3.322,1272 70.159,1273 197,1274 242,1275 0.161,1276 293.135,1277 523.96,1278 707.01,1279 31210,1280 4.3,1281 27.777,1282 0.712,1283 0.626,1284 29.631,1285 24.421,1286 18.813,1287 0.448,1288 0.354,1289 12.786,1290 16.811,1291 12.381,1292 10.076,1293 20.087,1294 14.87,1295 16.811,1296 0.295,1297 0.208,1298 18.577,1299 11.877,1300 13.575,1301 0.189,1302 0.124,1303 15.408,1304 8.953,1305 10.935,1306 0.12,1307 0.074,1308 13.04,1309 6.736,1310 8.637,1311 0.078,1312 0.041,1313 10.138,1314 4.568,1315 0.257,1316 131.274,1317 0.19,1318 35.711,1319 0.431,1320 198,1321 634.369,1322 288.53,1323 707.943,1324 905.45,1325 658,1326 228,1327 540.853,1328 304.725,1329 583.752,1330 857.91,1331 549,1332 5}
{0 CHEMBL42065,1 1.719,2 13.897,3 4.47,4 19.98,5 156.165,6 8.487,7 0.395,8 4.328,9 4.437,10 4.036,11 3.937,12 5.396,13 3.889,14 4.903,15 5.069,16 4.464,17 4.376,18 5.941,19 4.297,20 5.187,21 5.368,22 4.581,23 4.563,24 6.229,25 4.45,26 5.292,27 5.494,28 4.663,29 4.556,30 6.366,31 4.422,32 5.255,33 5.486,34 4.529,35 4.443,36 6.437,37 4.339,38 5.158,39 5.356,40 4.559,41 4.436,42 6.318,43 4.337,44 5.189,45 5.365,46 4.554,47 4.447,48 6.431,49 4.356,50 5.173,51 5.361,52 4.574,53 4.448,54 6.435,55 4.337,56 0.048,57 0.99,58 12.237,59 6.386,60 9.233,61 7.951,62 0.415,63 1.718,64 29.6,65 11.318,66 30.551,67 14.048,68 0.575,69 2.09,70 44.991,71 16.516,72 68.205,73 19.84,74 0.739,75 2.212,76 62.568,77 19.141,78 101.029,79 22.552,80 0.986,81 2.156,82 53.158,83 17.239,84 137.59,85 21.554,86 0.663,87 1.921,88 51.383,89 16.069,90 86.305,91 18.952,92 0.8,93 1.945,94 49.268,95 16.353,96 126.375,97 18.015,98 1.017,99 1.947,100 52.761,101 16.612,102 141.54,103 19.29,104 37,105 61,106 0.269,107 0.554,108 0.741,109 0.85,110 0.876,111 0.885,112 3.693,113 1.019,114 -4.74,115 -4.65,116 -4.37,119 42,121 1,124 1,125 6,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 2,166 3,169 1,171 2,172 23,175 3,176 4,181 2,183 16,187 6,192 4,194 14,197 5,198 7,201 2,203 3,205 5,208 1,209 12,214 2,217 8,221 12,226 1,227 5,230 3,231 11,234 2,236 3,238 6,242 10,249 6,252 3271,253 26.154,254 26.154,255 26.154,256 26.154,257 26.154,258 23.672,259 26.438,260 15.255,261 26.861,262 21.192,263 21.192,264 21.192,265 21.192,266 21.192,267 17.353,268 29.455,269 7.247,270 22.416,271 4.389,272 2.56,273 1.366,274 0.671,275 0.504,276 0.446,277 4.395,279 2,283 1,284 1180,285 4,287 116.604,288 516.107,292 205.109,295 2.018,296 47.962,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 83.667,308 542,309 4.493,310 4.788,311 6.877,312 4.194,313 3.27,314 4.43,315 3.784,316 11.466,317 3.029,318 4.434,319 3.74,320 6.506,321 4.03,322 3.032,323 3.947,324 1.991,325 10.196,326 3.013,327 4.118,328 3.669,329 6.211,330 3.774,331 2.828,332 3.397,333 1.909,334 9.066,335 2.665,336 3.93,337 3.521,338 6.023,339 3.712,340 2.763,341 3.081,342 1.86,343 8.569,344 2.611,345 3.669,346 3.269,347 5.473,348 3.379,349 2.406,350 2.94,351 0.91,352 6.969,353 2.33,354 3.509,355 3.104,356 5.22,357 3.205,358 2.268,359 2.831,360 0.8,361 6.308,362 2.123,363 3.455,364 3.006,365 5.092,366 3.106,367 2.174,368 2.719,369 0.569,370 6.082,371 2.064,372 3.343,373 2.762,374 5.015,375 3.029,376 2.056,377 2.427,378 0.561,379 5.934,380 1.88,381 3.118,382 2.649,383 4.85,384 2.689,385 1.783,386 2.359,387 0.046,388 5.254,389 1.618,390 2.986,391 2.29,392 4.632,393 2.618,394 1.618,395 2.091,397 4.512,398 1.575,399 2.785,400 2.143,401 4.164,402 2.455,403 1.593,404 1.904,406 3.795,407 1.292,408 2.768,409 1.805,410 4.092,411 2.277,412 1.278,413 1.803,415 3.354,416 1.276,417 2.563,418 1.68,419 3.988,420 2.224,421 1.245,422 1.518,424 3.111,425 1.196,426 2.484,427 1.618,428 3.598,429 2.112,430 1.171,431 1.419,433 2.845,434 1.064,435 2.4,436 1.353,437 3.414,438 1.99,439 1.001,440 1.347,442 2.301,443 0.983,444 19.362,445 0.496,446 1.048,447 0.027,448 46,449 1.179,450 20.5,451 0.526,452 25.5,453 0.654,454 42.8,455 1.097,456 41.838,457 0.606,458 39.082,459 1.002,460 8.872,461 0.227,462 9.924,463 0.254,464 0.151,466 0.346,472 0.628,473 1.333,474 0.609,475 0.924,476 0.501,477 0.901,478 0.745,479 1.036,480 0.809,481 0.883,482 0.536,483 0.866,484 1.011,485 0.998,486 0.992,487 1.028,488 1.035,489 1.034,490 1.108,491 1.171,492 0.934,493 1.111,494 1.282,495 1.065,496 0.855,497 0.931,498 0.744,499 0.864,500 0.958,501 0.814,502 1.164,503 0.98,504 0.933,505 0.993,506 1.239,507 0.94,508 1.645,509 1.061,510 1.079,511 1.048,512 1.957,513 0.99,514 1.099,515 0.998,516 1.109,517 1.093,518 1.26,519 0.99,520 8,521 0.349,522 5.111,523 3.139,524 2.366,525 1.799,526 1.047,527 0.861,528 0.565,529 0.453,530 24944,531 70457,532 2.079,533 43.5,535 26,536 1,538 1,539 2,542 1.798,543 1.934,544 3.721,545 -0.358,550 118.645,551 1.719,552 3.548,553 4.743,554 5.438,555 5.605,556 5.663,557 3.199,558 5.01,559 5.255,560 3.928,561 2910.29,562 9.292,563 49803.2,568 421.488,569 1.451,570 5.21,571 0.186,572 0.007,573 0.084,574 0.049,575 0.04,576 0.03,577 0.018,578 0.015,579 0.01,580 0.008,581 0.447,582 0.17,583 0.75,584 0.551,585 218.207,586 -0.026,587 -0.172,588 0.034,589 -0.015,590 -0.013,591 0.005,592 0.021,593 0.135,594 0.01,595 0.087,596 0.028,597 0.054,598 -0.071,599 0.056,600 -0.069,601 -0.029,602 -0.097,603 -0.075,604 -0.037,605 -0.178,606 0.068,607 -0.071,608 -0.096,609 -0.08,610 0.225,611 0.079,612 0.145,613 0.113,614 0.203,615 0.155,616 -0.016,617 0.028,618 0.056,619 0.001,620 0.002,621 0.022,622 -0.19,623 -0.056,624 -0.075,625 -0.022,626 -0.16,627 -0.053,628 0.155,629 0.017,630 -0.011,631 -0.029,632 0.133,633 -0.022,634 1.963,635 6.599,636 0.692,637 48.029,638 1.007,639 1.119,640 3.506,641 12.29,642 0.702,643 3.784,644 4.127,645 4.407,646 4.673,647 4.913,648 4.984,649 5.075,650 5.182,651 5.308,652 5.328,653 8.293,654 0.659,655 585.6,656 3.784,657 5.342,658 6.201,659 7.086,660 7.962,661 8.853,662 9.737,663 10.631,664 11.521,665 12.418,666 5.8,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 69,705 20,706 3,707 43,709 73,710 29,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 2,729 19,730 10,733 3,737 3,741 3,747 30,748 7,749 1,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 1,784 2,792 1,796 4,797 1,799 1,801 1,802 2,805 39,810 7,811 1,813 1,814 2,815 3,824 2,825 4.3,828 3,832 20.167,833 12.552,834 8.472,835 4.091,836 2.814,837 1.339,838 0.98,839 9.043,840 11.121,841 4.016,842 4.575,843 5.092,844 5.604,845 6.121,846 6.293,847 6.56,848 6.86,849 7.158,850 6.943,851 1,852 64,853 14.612,854 6.421,855 7.801,856 27.81,857 23.484,859 2.301,860 89.722,864 341.362,865 183.179,866 27.384,867 78.297,868 75.435,870 32.22,871 150.96,872 495.094,873 27.384,874 8.396,875 39.428,876 94.762,877 89.549,878 21.643,879 11.771,880 361.81,881 78.297,882 341.362,883 178.344,884 75.435,885 110.517,887 341.362,888 75.435,891 42.552,892 135.791,893 78.297,894 32.22,895 341.362,896 102.818,897 261.477,900 341.362,901 80.021,902 112.532,903 18.011,904 153.732,905 341.362,906 102.818,907 261.477,909 0.588,910 0.345,911 0.185,912 0.105,913 29,914 14,915 0.096,916 7,917 1,918 1.074,919 4.816,920 390.766,921 0.074,922 27,923 200.131,924 1,928 28.25,929 12.484,930 6.552,931 2.187,932 102.818,933 19.154,938 2.62,940 18.011,941 705.657,942 54.5,946 39.785,950 -0.561,952 69.483,953 77.242,954 0.281,955 0.581,956 0.776,957 0.89,958 0.918,959 0.927,960 5.279,961 2.056,962 6.196,963 6.082,964 4.812,965 5.263,966 3.928,967 7.02,968 4.705,969 6.47,970 1.783,971 7.767,972 5.934,973 4.443,974 5.085,975 2.929,976 7.945,977 4.253,978 7.772,979 1.618,980 9.436,981 5.254,982 6.422,983 7.387,984 6.086,985 11.06,986 6.223,987 9.103,988 1.593,989 11.164,990 4.512,991 6.858,992 8.025,993 5.249,994 12.829,995 6.582,996 10.468,997 1.278,998 12.93,999 3.795,1000 8.32,1001 9.849,1002 8.609,1003 15.473,1004 8.028,1005 11.855,1006 1.245,1007 14.724,1008 3.354,1009 9.131,1010 10.888,1011 7.918,1012 17.6,1013 8.767,1014 13.261,1015 1.171,1016 16.537,1017 3.111,1018 10.392,1019 12.515,1020 11.214,1021 20.085,1022 10,1023 3.27,1024 1.001,1025 18.367,1026 2.845,1027 11.381,1028 13.764,1029 10.721,1030 22.369,1031 10.922,1032 3.032,1033 11.466,1034 20.209,1035 2.301,1036 12.564,1037 15.303,1038 13.839,1039 24.801,1040 12.066,1041 2.828,1042 10.196,1043 22.062,1044 4.43,1045 13.638,1046 16.66,1047 13.532,1048 27.156,1049 13.076,1050 2.763,1051 9.066,1052 23.924,1053 3.947,1054 14.794,1055 18.161,1056 16.47,1057 29.573,1058 14.185,1059 2.406,1060 8.569,1061 25.792,1062 3.397,1063 15.908,1064 19.575,1065 16.323,1066 31.961,1067 15.238,1068 2.268,1069 6.969,1070 27.667,1071 3.081,1072 17.059,1073 21.06,1074 19.103,1075 34.377,1076 16.336,1077 2.174,1078 6.308,1079 29.547,1080 2.94,1081 18.195,1082 22.504,1083 19.094,1084 36.784,1085 17.41,1086 23386,1087 39555,1088 28.55,1089 48.409,1090 65.391,1091 69.844,1092 67.343,1093 64.98,1094 64.574,1095 80.378,1096 24.86,1097 187.936,1098 60.894,1099 5.493,1100 6.788,1101 6.566,1102 5.336,1103 5.27,1104 7.43,1105 7.434,1106 18.981,1107 5.029,1108 20.769,1109 1.521,1110 1.624,1111 1.566,1112 1.511,1113 1.502,1114 1.869,1115 0.578,1116 4.371,1117 1.416,1118 4.097,1119 4.12,1120 4.169,1121 4.056,1122 7.435,1123 4.051,1124 3.98,1125 4.005,1126 4.039,1127 3.928,1128 7.426,1129 3.908,1130 3.848,1131 3.906,1132 3.958,1133 3.687,1134 7.422,1135 3.685,1136 3.754,1137 3.784,1138 3.743,1139 3.615,1140 5.015,1141 3.611,1142 3.576,1143 3.628,1144 3.585,1145 3.431,1146 4.896,1147 3.426,1148 3.463,1149 3.508,1150 3.504,1151 3.297,1152 4.628,1153 3.314,1154 3.352,1155 3.402,1156 3.369,1157 3.157,1158 4.373,1159 3.16,1160 3.167,1161 3.241,1162 3.323,1163 3.035,1164 4.347,1165 3.025,1166 0.104,1167 0.111,1168 0.16,1169 0.098,1170 0.076,1171 4.493,1172 0.103,1173 4.788,1174 0.088,1175 6.877,1176 0.267,1177 4.194,1178 0.07,1179 3.27,1180 4.43,1181 3.784,1182 11.466,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.99,1193 2.028,1194 1.288,1195 2.021,1196 1.784,1197 1.716,1198 1.941,1199 1.95,1200 1.174,1201 1.965,1202 1.651,1203 1.618,1204 1.801,1205 1.849,1206 1.099,1207 1.84,1208 1.515,1209 1.472,1210 1.695,1211 1.727,1212 0.869,1213 1.713,1214 1.462,1215 1.415,1216 1.645,1217 1.613,1218 0.825,1219 1.638,1220 1.274,1221 1.223,1222 1.523,1223 1.496,1224 0.825,1225 1.501,1226 1.189,1227 1.121,1228 1.513,1229 1.424,1230 0.642,1231 1.462,1232 4.466,1233 5.802,1234 2.398,1235 7.327,1236 4.844,1237 8.938,1238 7.018,1239 10.596,1241 2.025,1242 12.643,1247 3.14,1248 2.977,1250 1.351,1251 -1.121,1252 5.523,1257 45.447,1258 118.645,1259 244.829,1260 327.249,1261 375.224,1262 386.733,1263 390.733,1264 98.539,1265 8.306,1266 72.96,1267 98.26,1268 29,1269 12.943,1270 4.392,1271 3.644,1272 61.244,1273 191,1274 197,1275 0.15,1276 286.743,1277 506.02,1278 691.412,1279 52120,1280 2.9,1281 27.518,1282 0.706,1283 0.614,1284 28.871,1285 23.937,1286 18.796,1287 0.437,1288 0.34,1289 12.894,1290 17.2,1291 12.438,1292 10.172,1293 19.781,1294 14.603,1295 17.293,1296 0.283,1297 0.197,1298 18.687,1299 12.044,1300 14.559,1301 0.18,1302 0.115,1303 16.013,1304 9.277,1305 12.036,1306 0.114,1307 0.067,1308 13.871,1309 7.074,1310 9.896,1311 0.073,1312 0.037,1313 11.211,1314 4.988,1315 0.237,1316 127.203,1317 0.187,1318 35.204,1319 0.41,1320 208,1321 601.742,1322 280.493,1323 659.469,1324 865.68,1325 614,1326 246,1327 554.128,1328 309.466,1329 593.362,1330 875.11,1331 558,1332 4.699}
{0 CHEMBL42162,1 1.849,2 15.2,3 4.616,4 21.307,5 160.336,6 9.264,7 0.279,8 4.344,9 4.447,10 4.111,11 3.93,12 5.418,13 3.885,14 4.928,15 5.085,16 4.539,17 4.358,18 6.008,19 4.276,20 5.21,21 5.397,22 4.62,23 4.521,24 6.264,25 4.396,26 5.25,27 5.459,28 4.771,29 4.51,30 6.333,31 4.37,32 5.219,33 5.433,34 4.567,35 4.416,36 6.437,37 4.307,38 5.187,39 5.387,40 4.551,41 4.404,42 6.348,43 4.297,44 5.176,45 5.375,46 4.604,47 4.373,48 6.447,49 4.291,50 5.112,51 5.283,52 4.543,53 4.367,54 6.436,55 4.263,56 0.149,57 0.985,58 10.5,59 6.439,60 14.368,61 7.709,62 0.616,63 1.644,64 28.929,65 11.799,66 44.838,67 13.865,68 1.011,69 1.952,70 52.005,71 17.093,72 98.98,73 19.708,74 1.081,75 2.004,76 66.887,77 18.551,78 115.572,79 21.366,80 1.219,81 1.915,82 58.459,83 17.318,84 152.567,85 20.88,86 1.066,87 1.837,88 56.415,89 16.648,90 118.391,91 19.022,92 1.24,93 1.804,94 49.924,95 15.479,96 145.863,97 17.507,98 1.172,99 1.688,100 51.905,101 15.794,102 159.632,103 17.514,104 50,105 59,106 0.291,107 0.576,108 0.769,109 0.864,110 0.874,111 0.874,112 3.717,113 1.07,114 -4.4,115 -4.33,116 -4.09,119 38.6,121 2,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 4,165 1,166 4,169 2,171 3,172 16,175 2,176 4,179 1,181 2,183 7,187 7,190 1,192 1,194 11,197 3,198 7,201 3,203 5,205 3,208 1,209 7,214 3,217 5,220 1,221 10,224 1,226 4,227 7,230 1,231 8,234 2,235 1,236 3,238 4,241 2,242 3,247 1,249 9,252 4048,253 26.515,254 26.515,255 26.515,256 26.515,257 26.515,258 24.495,259 33.878,260 15.842,261 27.602,262 21.249,263 21.249,264 21.249,265 21.249,266 21.249,267 18.061,268 38.669,269 7.626,270 23.145,271 4.28,272 2.466,273 1.243,274 0.639,275 0.571,276 0.571,277 4.407,279 4,283 1,284 1288,285 4.416,287 131.017,288 475.476,295 2.58,296 58.385,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 87.333,308 608,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.163,319 3.669,320 6.204,321 3.746,322 2.8,323 3.81,324 1.963,325 9.037,326 2.633,327 4.108,328 3.615,329 5.668,330 3.708,331 2.769,332 3.387,333 1.909,334 7.931,335 2.584,336 3.7,337 3.513,338 5.508,339 3.451,340 2.525,341 2.881,342 1.859,343 7.113,344 2.392,345 3.596,346 3.259,347 5.34,348 3.417,349 2.445,350 2.812,351 0.901,352 6.965,353 2.306,354 3.516,355 3.16,356 5.136,357 3.263,358 2.283,359 2.731,360 0.86,361 6.215,362 2.224,363 3.489,364 3.001,365 5.021,366 3.072,367 2.161,368 2.53,369 0.8,370 5.979,371 1.885,372 3.294,373 2.885,374 4.868,375 2.905,376 1.968,377 2.518,378 0.561,379 5.535,380 1.761,381 3.232,382 2.649,383 4.772,384 2.707,385 1.879,386 2.481,387 0.215,388 5.007,389 1.546,390 2.979,391 2.623,392 4.618,393 2.642,394 1.736,395 2.088,397 4.963,398 1.441,399 2.739,400 2.474,401 4.581,402 2.518,403 1.614,404 1.751,406 4.398,407 1.432,408 2.611,409 2.176,410 3.999,411 2.406,412 1.524,413 1.604,415 3.308,416 1.271,417 2.561,418 1.819,419 3.715,420 2.178,421 1.26,422 1.515,424 3.125,425 1.137,426 2.311,427 1.68,428 3.474,429 2.112,430 1.174,431 1.295,433 2.704,434 1.06,435 2,436 1.678,437 3.274,438 1.952,439 1,440 1,442 2.136,443 0.946,444 20.124,445 0.503,446 1.068,447 0.027,448 42.75,449 1.069,450 16.5,451 0.413,452 26.25,453 0.656,454 47.838,455 1.196,456 44.676,457 0.638,458 35.915,459 0.898,460 8.142,461 0.204,462 11.047,463 0.276,464 0.192,466 0.313,472 0.674,473 1.395,474 0.56,475 0.897,476 0.519,477 0.89,478 0.842,479 1.149,480 0.742,481 0.885,482 0.56,483 0.898,484 1.069,485 1.006,486 0.993,487 0.979,488 1.07,489 1.015,490 0.91,491 1.068,492 0.772,493 0.962,494 1.095,495 0.945,496 0.795,497 1.01,498 0.828,499 0.987,500 0.889,501 0.907,502 1.103,503 1.052,504 0.865,505 0.977,506 1.316,507 0.964,508 1.155,509 0.899,510 0.769,511 0.828,512 1.429,513 0.832,514 1.116,515 1.113,516 1.084,517 1.155,518 1.387,519 1.08,520 9,521 0.381,522 3.778,523 3.326,524 2.433,525 1.504,526 1.074,527 0.773,528 0.497,529 0.408,530 27332,531 94561,532 2.021,533 42.9,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.833,545 0.224,550 129.461,551 1.849,552 3.663,553 4.886,554 5.49,555 5.558,556 5.558,557 3.363,558 4.972,559 5.285,560 4.092,561 3191.48,562 9.354,563 57843.5,568 429.05,569 1.467,570 5.242,571 0.209,572 0.007,573 0.064,574 0.056,575 0.043,576 0.026,577 0.02,578 0.014,579 0.009,580 0.008,581 0.456,582 0.17,583 0.75,584 0.573,585 228.326,586 -0.053,587 -0.165,588 0.015,589 -0.016,590 -0.01,591 0.001,592 -0.042,593 0.032,594 0.001,595 0.068,596 0.038,597 0.017,598 -0.129,599 0.046,600 -0.086,601 0.012,602 -0.126,603 -0.051,604 0.002,605 -0.044,606 0.16,607 0.066,608 -0.037,609 0.048,610 0.158,611 -0.007,612 0.052,613 -0.001,614 0.199,615 0.077,616 -0.078,617 -0.043,618 -0.003,619 -0.01,620 -0.077,621 -0.003,622 -0.02,623 0.116,624 0.067,625 0.105,626 0.003,627 0.102,628 0.017,629 -0.099,630 -0.111,631 -0.133,632 0.059,633 -0.121,634 2.02,635 6.461,636 0.575,637 60.38,638 1.019,639 1.125,640 3.172,641 10.06,642 0.705,643 3.784,644 4.094,645 4.304,646 4.564,647 4.745,648 4.796,649 4.868,650 4.927,651 5.024,652 5.037,653 9.15,654 0.662,655 648.48,656 3.784,657 5.323,658 6.151,659 7.02,660 7.868,661 8.746,662 9.606,663 10.49,664 11.359,665 12.248,666 5.7,669 1,673 3,681 6,686 6,688 12,702 4,703 70,705 15,706 2,707 43,709 73,710 27,711 12,712 6,713 6,717 4,718 4,719 4,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 30,748 8,749 2,750 13,751 5,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 4,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 4,825 5.7,828 3,829 1,832 21.333,833 12.221,834 8.806,835 4.153,836 1.607,837 1.202,838 0.95,839 12.123,840 9.556,841 3.97,842 4.466,843 4.86,844 5.307,845 5.723,846 5.794,847 5.852,848 6.07,849 6.319,850 6.316,851 1,852 59,853 14.962,854 6.474,855 7.911,856 28.17,857 23.231,859 2.411,860 96.444,864 329.591,865 150.453,866 42.27,867 156.595,868 86.435,870 32.22,871 118.233,872 572.62,873 42.27,875 66.034,876 56.857,877 100.549,878 23.498,879 11.771,880 350.039,881 156.595,882 329.591,883 160.503,884 86.435,885 188.814,887 306.049,888 98.977,889 11,891 69.158,892 91.345,893 156.595,894 32.22,895 329.591,896 128.705,897 307.047,900 329.591,901 93.595,902 63.106,903 36.022,904 243.029,905 329.591,906 128.705,907 307.047,909 0.579,910 0.323,911 0.176,912 0.096,913 25,914 13,915 0.151,916 11,918 1,919 4.982,920 379.286,922 23,923 202.877,924 1,928 31.696,929 15.299,930 9.387,932 128.705,933 10.066,938 3.184,940 36.022,941 765.343,942 52,946 39.094,950 -0.878,952 71.342,953 78.755,954 0.302,955 0.598,956 0.797,957 0.896,958 0.907,959 0.907,960 5.226,961 1.968,962 6.133,963 5.979,964 4.779,965 5.153,966 3.944,967 6.911,968 4.615,969 6.393,970 1.879,971 7.672,972 5.535,973 4.369,974 4.956,975 2.909,976 7.732,977 4.074,978 7.676,979 1.736,980 9.307,981 5.007,982 6.34,983 7.164,984 6.086,985 10.841,986 6.048,987 8.985,988 1.614,989 11,990 4.963,991 6.711,992 7.715,993 5.238,994 12.536,995 6.3,996 10.324,997 1.524,998 12.733,999 4.398,1000 8.177,1001 9.47,1002 8.608,1003 15.19,1004 7.754,1005 11.683,1006 1.26,1007 14.496,1008 3.308,1009 8.934,1010 10.376,1011 7.914,1012 17.295,1013 8.397,1014 13.058,1015 1.174,1016 16.284,1017 3.125,1018 10.196,1019 11.945,1020 11.213,1021 19.796,1022 9.624,1023 3.266,1024 1,1025 18.091,1026 2.704,1027 11.153,1028 13.04,1029 10.72,1030 22.088,1031 10.471,1032 2.8,1033 11.459,1034 19.917,1035 2.136,1036 12.335,1037 14.518,1038 13.839,1039 24.539,1040 11.599,1041 2.769,1042 9.037,1043 21.757,1044 3.947,1045 13.394,1046 15.719,1047 13.531,1048 26.911,1049 12.554,1050 2.525,1051 7.931,1052 23.61,1053 3.81,1054 14.551,1055 17.148,1056 16.47,1057 29.348,1058 13.643,1059 2.445,1060 7.113,1061 25.474,1062 3.387,1063 15.662,1064 18.412,1065 16.323,1066 31.755,1067 14.656,1068 2.283,1069 6.965,1070 27.348,1071 2.881,1072 16.815,1073 19.811,1074 19.103,1075 34.189,1076 15.733,1077 2.161,1078 6.215,1079 29.229,1080 2.812,1081 17.954,1082 21.113,1083 19.094,1084 36.613,1085 16.778,1086 26250,1087 49134,1088 28.145,1089 49.341,1090 63.795,1091 69.068,1092 65.481,1093 64.09,1094 63.403,1095 75.587,1096 25.703,1097 177.942,1098 57.681,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 23.151,1109 1.484,1110 1.606,1111 1.523,1112 1.49,1113 1.474,1114 1.758,1115 0.598,1116 4.138,1117 1.341,1118 3.995,1119 4.019,1120 4.17,1121 3.94,1122 7.435,1123 3.92,1124 3.918,1125 3.937,1126 4.085,1127 3.876,1128 7.427,1129 3.863,1130 3.829,1131 3.889,1132 3.958,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.027,1141 3.618,1142 3.633,1143 3.685,1144 3.585,1145 3.414,1146 5.005,1147 3.431,1148 3.497,1149 3.55,1150 3.582,1151 3.291,1152 4.632,1153 3.301,1154 3.329,1155 3.374,1156 3.554,1157 3.144,1158 4.629,1159 3.14,1160 3.126,1161 3.206,1162 3.484,1163 3,1164 4.627,1165 2.982,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.092,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.901,1185 1.884,1186 1.987,1187 2.004,1188 1.299,1189 2.002,1190 1.896,1191 1.881,1192 1.975,1193 1.982,1194 1.18,1195 1.992,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.824,1205 1.86,1206 1.098,1207 1.85,1208 1.581,1209 1.528,1210 1.771,1211 1.794,1212 1.081,1213 1.796,1214 1.437,1215 1.381,1216 1.639,1217 1.664,1218 0.868,1219 1.666,1220 1.261,1221 1.214,1222 1.513,1223 1.478,1224 0.825,1225 1.484,1226 1.153,1227 1.09,1228 1.458,1229 1.376,1230 0.656,1231 1.429,1232 4.466,1233 5.778,1234 2.398,1235 7.262,1236 4.844,1237 8.831,1238 7.018,1239 10.448,1242 24.653,1247 5.394,1248 5.73,1249 5.363,1250 1.291,1251 -1.227,1252 3.775,1257 46.344,1258 129.461,1259 256.413,1260 342.03,1261 384.295,1262 389.05,1263 389.05,1264 123.584,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.782,1270 4,1271 3.322,1272 73.03,1273 208,1274 252,1275 0.159,1276 301.468,1277 539.17,1278 727.342,1279 33867,1280 5.7,1281 28.648,1282 0.716,1283 0.637,1284 31.001,1285 25.478,1286 19.19,1287 0.446,1288 0.357,1289 12.91,1290 16.863,1291 12.465,1292 10.121,1293 20.753,1294 15.342,1295 17.573,1296 0.298,1297 0.212,1298 19.784,1299 12.529,1300 13.599,1301 0.186,1302 0.123,1303 15.524,1304 8.999,1305 11.484,1306 0.121,1307 0.076,1308 14.114,1309 7.183,1310 8.761,1311 0.077,1312 0.041,1313 10.393,1314 4.668,1315 0.254,1316 136.712,1317 0.188,1318 36.461,1319 0.425,1320 204,1321 668.572,1322 310.049,1323 770.383,1324 976.28,1325 714,1326 234,1327 566.716,1328 318.531,1329 619.839,1330 908.98,1331 582,1332 5.824}
{0 CHEMBL42168,1 1.704,2 14.487,3 4.508,4 20.32,5 158.102,6 8.276,7 0.405,8 4.34,9 4.455,10 4.019,11 3.937,12 5.418,13 3.883,14 4.898,15 5.07,16 4.425,17 4.358,18 5.947,19 4.269,20 5.165,21 5.35,22 4.534,23 4.527,24 6.214,25 4.406,26 5.278,27 5.498,28 4.641,29 4.527,30 6.328,31 4.39,32 5.216,33 5.432,34 4.519,35 4.441,36 6.421,37 4.335,38 5.218,39 5.437,40 4.505,41 4.418,42 6.363,43 4.307,44 5.164,45 5.363,46 4.494,47 4.377,48 6.403,49 4.291,50 5.127,51 5.305,52 4.498,53 4.379,54 6.447,55 4.27,56 0.047,57 1.008,58 13.359,59 6.632,60 9.934,61 8.406,62 0.398,63 1.687,64 31.004,65 11.655,66 34.929,67 14.777,68 0.515,69 2.014,70 45.776,71 16.554,72 72.682,73 20.193,74 0.766,75 2.172,76 64.54,77 18.674,78 95.922,79 22.607,80 0.796,81 2.077,82 49.484,83 16.662,84 128.079,85 21.04,86 0.779,87 1.98,88 57.247,89 16.776,90 104.262,91 20.324,92 0.751,93 1.86,94 48.277,95 15.316,96 113.775,97 18.077,98 0.96,99 1.799,100 49.511,101 15.606,102 157.285,103 18.029,104 57,105 58,106 0.266,107 0.562,108 0.759,109 0.859,110 0.885,111 0.893,112 3.693,113 1.034,114 -4.74,115 -4.65,116 -4.37,119 40.8,121 2,124 2,125 4,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 23,175 1,176 4,179 1,181 2,183 16,187 7,190 1,192 4,194 14,197 3,198 6,201 3,203 5,205 5,208 1,209 10,214 4,217 8,220 1,221 10,226 4,227 7,230 1,231 9,234 2,235 1,236 3,238 8,241 1,242 9,247 1,249 9,252 3466,253 25.913,254 25.913,255 25.913,256 25.913,257 25.913,258 23.407,259 26.737,260 15.432,261 26.567,262 20.731,263 20.731,264 20.731,265 20.731,266 20.731,267 16.862,268 29.728,269 7.364,270 21.864,271 4.446,272 2.541,273 1.282,274 0.634,275 0.472,276 0.416,277 4.383,279 2,283 1,284 1197,285 4.69,287 122.029,288 384.425,292 209.815,295 2.32,296 47,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.66,307 83.667,308 565,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.439,340 2.454,341 2.947,342 1.859,343 7.122,344 2.405,345 3.602,346 3.259,347 5.22,348 3.286,349 2.305,350 2.839,351 0.901,352 6.316,353 2.257,354 3.509,355 3.104,356 5.132,357 3.137,358 2.209,359 2.812,360 0.8,361 6.216,362 2.068,363 3.45,364 3.001,365 4.984,366 3.101,367 2.174,368 2.695,369 0.561,370 5.817,371 2.035,372 3.226,373 2.649,374 4.806,375 3.028,376 2.046,377 2.427,378 0.215,379 5.187,380 1.877,381 3.118,382 2.577,383 4.657,384 2.635,385 1.739,386 2.226,388 5.034,389 1.618,390 2.979,391 2.29,392 4.587,393 2.618,394 1.618,395 2.088,397 4.401,398 1.514,399 2.771,400 1.819,401 4.161,402 2.433,403 1.56,404 1.904,406 3.792,407 1.297,408 2.734,409 1.68,410 3.999,411 2.289,412 1.313,413 1.748,415 3.127,416 1.277,417 2.563,418 1.67,419 3.599,420 2.272,421 1.274,422 1.518,424 2.848,425 1.25,426 2.405,427 1.618,428 3.503,429 2.115,430 1.174,431 1.375,433 2.753,434 1.066,435 2.385,436 1.353,437 3.393,438 1.992,439 1.004,440 1.348,442 2.305,443 0.986,444 19.362,445 0.496,446 1.035,447 0.027,448 45.25,449 1.16,450 20.5,451 0.526,452 24.75,453 0.635,454 42.735,455 1.096,456 42.438,457 0.598,458 38.891,459 0.997,460 8.798,461 0.226,462 9.925,463 0.254,464 0.177,466 0.325,472 0.647,473 1.31,474 0.634,475 0.932,476 0.525,477 0.922,478 0.721,479 1.018,480 0.817,481 0.9,482 0.54,483 0.883,484 1.019,485 1.071,486 1.003,487 1.062,488 1.092,489 1.054,490 1.062,491 1.019,492 0.898,493 0.994,494 1.161,495 0.94,496 0.803,497 1.099,498 0.781,499 1.002,500 0.897,501 0.931,502 1.232,503 0.971,504 0.948,505 0.961,506 1.337,507 0.918,508 1.521,509 0.94,510 0.939,511 0.907,512 1.736,513 0.884,514 1.356,515 1.075,516 1.152,517 1.12,518 1.632,519 1.065,520 8,521 0.369,522 4.444,523 3.139,524 2.304,525 1.616,526 1.033,527 0.765,528 0.496,529 0.415,530 24495,531 69996,532 2.022,533 45.1,535 25,536 1,538 2,539 2,541 2,542 1.798,543 1.872,544 3.768,545 0.162,550 120.996,551 1.704,552 3.609,553 4.868,554 5.516,555 5.678,556 5.734,557 3.282,558 5.08,559 5.251,560 4.009,561 2970.85,562 9.286,563 51944.2,568 436.632,569 1.479,570 5.204,571 0.19,572 0.007,573 0.077,574 0.052,575 0.04,576 0.027,577 0.019,578 0.014,579 0.009,580 0.008,581 0.444,582 0.17,583 0.75,584 1.529,585 219.765,586 -0.036,587 -0.123,588 0.029,589 0.003,590 -0.025,591 0.012,592 0.04,593 0.148,594 0.024,595 0.095,596 0.043,597 0.062,598 -0.07,599 -0.023,600 -0.057,601 -0.041,602 -0.116,603 -0.08,604 -0.008,605 -0.01,606 0.129,607 0.047,608 -0.067,609 0.045,610 0.233,611 -0.075,612 0.099,613 -0.017,614 0.225,615 0.033,616 -0.025,617 0.025,618 0.048,619 0.022,620 -0.03,621 0.042,622 -0.107,623 0.055,624 0.024,625 0.056,626 -0.066,627 0.05,628 0.08,629 -0.074,630 -0.066,631 -0.084,632 0.066,633 -0.115,634 1.976,635 6.476,636 0.538,637 52.945,638 1.005,639 1.122,640 3.506,641 12.29,642 0.693,643 3.761,644 4.078,645 4.317,646 4.585,647 4.804,648 4.875,649 4.984,650 5.05,651 5.142,652 5.124,653 8.685,654 0.648,655 587.62,656 3.761,657 5.303,658 6.142,659 7.018,660 7.882,661 8.767,662 9.644,663 10.534,664 11.419,665 12.314,666 5.6,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 71,705 20,706 3,707 42,709 74,710 29,711 16,712 6,713 10,717 4,718 5,719 2,724 1,727 3,729 19,730 10,733 3,737 3,741 3,747 32,748 7,749 2,750 10,751 3,755 4,760 0.75,761 3,775 1,776 3,780 1,783 2,784 1,792 1,796 3,797 1,799 1,801 2,802 2,805 39,810 6,811 2,813 1,814 2,815 2,824 2,825 4.2,828 3,832 20.833,833 13.102,834 8.611,835 4.128,836 2.93,837 1.361,838 0.96,839 10.556,840 11.038,841 3.998,842 4.543,843 5.042,844 5.566,845 6.087,846 6.257,847 6.537,848 6.831,849 7.122,850 6.878,851 0.9,852 60,853 14.578,854 6.262,855 7.826,856 27.626,857 22.71,859 2.326,860 90.722,864 353.133,865 189.899,866 42.27,867 78.297,868 75.435,870 32.22,871 157.679,872 506.865,873 42.27,874 16.793,875 52.638,876 94.762,877 89.549,878 21.643,879 11.771,880 373.581,881 78.297,882 353.133,883 199.949,884 75.435,885 110.517,887 329.591,888 98.977,891 55.762,892 144.187,893 78.297,894 32.22,895 353.133,896 117.705,897 268.196,900 353.133,901 78.344,902 117.804,903 36.022,904 153.732,905 353.133,906 117.705,907 268.196,909 0.579,910 0.326,911 0.176,912 0.099,913 25,914 13,915 0.149,916 11,917 1,918 1.095,919 4.827,920 373.432,921 0.095,922 21,923 202.131,924 1,928 29.691,929 13.865,930 7.893,931 2.177,932 117.705,933 19.068,938 2.571,940 36.022,941 739.034,942 53.5,946 39.16,950 -0.747,952 71.367,953 79.657,954 0.277,955 0.587,956 0.792,957 0.897,958 0.923,959 0.932,960 5.243,961 2.046,962 6.129,963 5.817,964 4.762,965 5.231,966 3.915,967 6.932,968 4.66,969 6.43,970 1.739,971 7.685,972 5.187,973 4.369,974 5.047,975 2.909,976 7.837,977 4.189,978 7.725,979 1.618,980 9.342,981 5.034,982 6.344,983 7.356,984 6.084,985 10.957,986 6.157,987 9.053,988 1.56,989 11.061,990 4.401,991 6.758,992 7.989,993 5.238,994 12.732,995 6.494,996 10.413,997 1.313,998 12.822,999 3.792,1000 8.222,1001 9.822,1002 8.608,1003 15.385,1004 7.946,1005 11.797,1006 1.274,1007 14.613,1008 3.127,1009 9.024,1010 10.862,1011 7.914,1012 17.528,1013 8.673,1014 13.201,1015 1.174,1016 16.426,1017 2.848,1018 10.288,1019 12.496,1020 11.213,1021 20.022,1022 9.911,1023 3.266,1024 1.004,1025 18.258,1026 2.753,1027 11.278,1028 13.747,1029 10.72,1030 22.319,1031 10.83,1032 3.032,1033 11.459,1034 20.104,1035 2.305,1036 12.464,1037 15.29,1038 13.839,1039 24.758,1040 11.979,1041 2.796,1042 10.196,1043 21.961,1044 4.43,1045 13.543,1046 16.65,1047 13.531,1048 27.12,1049 12.991,1050 2.454,1051 9.037,1052 23.828,1053 3.947,1054 14.704,1055 18.153,1056 16.47,1057 29.543,1058 14.105,1059 2.305,1060 7.122,1061 25.703,1062 3.387,1063 15.825,1064 19.569,1065 16.323,1066 31.936,1067 15.161,1068 2.209,1069 6.316,1070 27.583,1071 2.947,1072 16.981,1073 21.055,1074 19.103,1075 34.355,1076 16.263,1077 2.174,1078 6.216,1079 29.469,1080 2.839,1081 18.122,1082 22.501,1083 19.094,1084 36.764,1085 17.341,1086 23677,1087 40299,1088 27.452,1089 49.171,1090 62.84,1091 67.369,1092 64.715,1093 62.616,1094 62.217,1095 78.025,1096 23.983,1097 176.589,1098 58.784,1099 5.473,1100 6.788,1101 6.565,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 22.897,1109 1.496,1110 1.604,1111 1.541,1112 1.491,1113 1.481,1114 1.858,1115 0.571,1116 4.204,1117 1.4,1118 4.096,1119 4.119,1120 4.169,1121 4.056,1122 7.435,1123 4.051,1124 3.974,1125 3.994,1126 4.039,1127 3.928,1128 7.427,1129 3.907,1130 3.786,1131 3.834,1132 3.958,1133 3.676,1134 7.422,1135 3.659,1136 3.728,1137 3.781,1138 3.624,1139 3.544,1140 5.015,1141 3.544,1142 3.598,1143 3.656,1144 3.585,1145 3.432,1146 4.896,1147 3.429,1148 3.5,1149 3.556,1150 3.508,1151 3.327,1152 4.628,1153 3.344,1154 3.41,1155 3.466,1156 3.432,1157 3.212,1158 4.354,1159 3.217,1160 3.255,1161 3.323,1162 3.337,1163 3.081,1164 4.346,1165 3.069,1166 0.107,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.493,1172 0.105,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.956,1193 1.972,1194 1.235,1195 1.977,1196 1.711,1197 1.646,1198 1.939,1199 1.93,1200 1.175,1201 1.943,1202 1.652,1203 1.612,1204 1.803,1205 1.853,1206 1.1,1207 1.844,1208 1.533,1209 1.481,1210 1.739,1211 1.779,1212 0.887,1213 1.769,1214 1.492,1215 1.447,1216 1.686,1217 1.641,1218 0.826,1219 1.657,1220 1.348,1221 1.264,1222 1.615,1223 1.584,1224 0.807,1225 1.606,1226 1.271,1227 1.22,1228 1.492,1229 1.459,1230 0.612,1231 1.48,1232 4.443,1233 5.759,1234 2.398,1235 7.256,1236 4.844,1237 8.845,1238 7.018,1239 10.488,1241 3.946,1242 12.583,1247 2.392,1248 5.849,1250 1.328,1251 -1.151,1252 3.547,1257 45.974,1258 120.996,1259 256.245,1260 345.638,1261 391.612,1262 403.122,1263 407.122,1264 111.649,1265 8.108,1266 81.75,1267 107.05,1268 23,1269 12.842,1270 4.392,1271 3.644,1272 70.166,1273 198,1274 224,1275 0.166,1276 294.136,1277 518.38,1278 709.452,1279 41403,1280 2.8,1281 27.941,1282 0.716,1283 0.623,1284 29.294,1285 24.283,1286 18.723,1287 0.446,1288 0.345,1289 12.776,1290 17.145,1291 12.263,1292 10.134,1293 19.709,1294 14.482,1295 17.079,1296 0.294,1297 0.205,1298 18.474,1299 11.866,1300 13.453,1301 0.182,1302 0.115,1303 14.907,1304 8.534,1305 11.187,1306 0.115,1307 0.068,1308 13.023,1309 6.606,1310 9.033,1311 0.075,1312 0.037,1313 10.354,1314 4.494,1315 0.263,1316 126.732,1317 0.191,1318 35.463,1319 0.446,1320 200,1321 588.43,1322 271.466,1323 648.346,1324 843.96,1325 602,1326 232,1327 531.649,1328 293.58,1329 573.523,1330 838.97,1331 537,1332 6.444}
{0 CHEMBL42226,1 1.805,2 15.077,3 3.952,4 15.614,5 155.531,6 8.772,7 0.286,8 4.34,9 4.447,10 4.063,11 3.913,12 5.402,13 3.868,14 4.923,15 5.086,16 4.476,17 4.336,18 5.981,19 4.253,20 5.203,21 5.398,22 4.557,23 4.495,24 6.237,25 4.37,26 5.244,27 5.46,28 4.643,29 4.479,30 6.293,31 4.337,32 5.212,33 5.434,34 4.524,35 4.397,36 6.411,37 4.29,38 5.183,39 5.388,40 4.518,41 4.39,42 6.339,43 4.283,44 5.172,45 5.376,46 4.535,47 4.357,48 6.406,49 4.272,50 5.106,51 5.284,52 4.507,53 4.348,54 6.421,55 4.245,56 0.113,57 0.995,58 12.046,59 6.566,60 12.223,61 8.026,62 0.558,63 1.658,64 30.636,65 11.769,66 42.546,67 14.247,68 0.897,69 1.97,70 50.99,71 16.78,72 90.681,73 19.967,74 0.946,75 2.013,76 64.088,77 18.107,78 104.068,79 21.477,80 1.081,81 1.931,82 55.025,83 16.807,84 143.485,85 20.848,86 0.963,87 1.842,88 55.918,89 16.311,90 111.58,91 19.166,92 1.101,93 1.808,94 49.951,95 15.148,96 131.729,97 17.699,98 1.076,99 1.7,100 50.846,101 15.473,102 152.624,103 17.697,104 37,105 57,106 0.284,107 0.572,108 0.773,109 0.879,110 0.892,111 0.892,112 3.693,113 1.062,114 -4.21,115 -4.15,116 -3.92,119 38.6,121 2,125 8,127 1,128 1,138 7,139 2,140 3,151 3,163 6,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 2,183 8,187 7,190 1,192 2,194 9,197 3,198 7,201 3,203 4,205 3,208 1,209 8,214 3,217 6,220 1,221 9,224 1,226 4,227 6,230 1,231 8,234 2,235 1,236 3,238 5,241 2,242 5,247 1,249 8,252 3822,253 26.068,254 26.068,255 26.068,256 26.068,257 26.068,258 24.073,259 32.277,260 15.666,261 27.018,262 20.749,263 20.749,264 20.749,265 20.749,266 20.749,267 17.644,268 36.416,269 7.529,270 22.391,271 4.325,272 2.492,273 1.217,274 0.543,275 0.457,276 0.457,277 4.384,279 3,283 1,284 1249,285 4.359,287 127.392,288 462.55,295 2.501,296 54.368,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 85,308 588,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.11,319 3.669,320 6.204,321 3.742,322 2.797,323 3.649,324 1.963,325 9.037,326 2.628,327 4.044,328 3.615,329 5.532,330 3.626,331 2.664,332 3.387,333 1.909,334 7.471,335 2.554,336 3.695,337 3.513,338 5.487,339 3.449,340 2.525,341 2.877,342 1.859,343 7.096,344 2.388,345 3.593,346 3.259,347 5.34,348 3.41,349 2.435,350 2.812,351 0.901,352 6.965,353 2.305,354 3.516,355 3.01,356 5.134,357 3.255,358 2.276,359 2.725,360 0.86,361 6.215,362 2.219,363 3.487,364 2.996,365 5.001,366 3.066,367 2.153,368 2.521,369 0.8,370 5.911,371 1.883,372 3.28,373 2.885,374 4.825,375 2.862,376 1.95,377 2.517,378 0.561,379 5.319,380 1.697,381 2.979,382 2.649,383 4.719,384 2.643,385 1.739,386 2.088,387 0.215,388 4.985,389 1.545,390 2.741,391 2.501,392 4.579,393 2.518,394 1.614,395 1.767,397 4.397,398 1.432,399 2.67,400 2.176,401 3.999,402 2.407,403 1.525,404 1.734,406 3.308,407 1.271,408 2.611,409 1.819,410 3.715,411 2.188,412 1.262,413 1.604,415 3.125,416 1.152,417 2.561,418 1.68,419 3.492,420 2.174,421 1.203,422 1.514,424 2.705,425 1.136,426 2.311,427 1.678,428 3.469,429 2.112,430 1.174,431 1.295,433 2.619,434 1.059,435 2,436 1.376,437 3.259,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.41,445 0.498,446 0.962,447 0.025,448 42,449 1.077,450 16.5,451 0.423,452 25.5,453 0.654,454 45.061,455 1.155,456 43.59,457 0.623,458 35.095,459 0.9,460 8.069,461 0.207,462 10.726,463 0.275,464 0.162,466 0.299,472 0.681,473 1.396,474 0.589,475 0.94,476 0.519,477 0.922,478 0.856,479 1.154,480 0.79,481 0.93,482 0.569,483 0.933,484 1.06,485 1.007,486 0.991,487 0.983,488 1.06,489 1.012,490 0.964,491 1.07,492 0.879,493 1.02,494 1.138,495 0.986,496 0.784,497 0.998,498 0.785,499 0.947,500 0.878,501 0.868,502 1.136,503 1.048,504 0.908,505 0.991,506 1.337,507 0.965,508 1.251,509 0.897,510 0.84,511 0.841,512 1.523,513 0.849,514 1.118,515 1.109,516 1.097,517 1.151,518 1.393,519 1.063,520 8,521 0.344,522 3.778,523 2.889,524 2.242,525 1.504,526 0.992,527 0.773,528 0.472,529 0.388,530 25661,531 82366,532 2.037,533 44.3,535 24,536 1,538 2,539 2,541 2,542 1.797,543 1.902,544 3.829,545 0.213,550 126.333,551 1.805,552 3.637,553 4.913,554 5.586,555 5.672,556 5.672,557 3.36,558 5.132,559 5.247,560 4.069,561 3014.95,562 9.28,563 53566.1,568 429.05,569 1.42,570 5.213,571 0.19,572 0.007,573 0.066,574 0.051,575 0.042,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.432,582 0.33,583 0.75,584 0.551,585 220.892,586 -0.049,587 -0.165,588 0.022,589 -0.018,590 -0.01,591 0.001,592 -0.034,593 0.025,594 -0.007,595 0.047,596 0.029,597 -0.003,598 -0.108,599 0.044,600 -0.066,601 0.017,602 -0.111,603 -0.044,604 -0.032,605 -0.05,606 0.094,607 0.017,608 -0.063,609 0.006,610 0.178,611 0.004,612 0.099,613 0.039,614 0.221,615 0.112,616 -0.066,617 -0.044,618 0.008,619 -0.012,620 -0.062,621 -0.002,622 -0.062,623 0.113,624 0.045,625 0.1,626 -0.044,627 0.084,628 0.055,629 -0.096,630 -0.078,631 -0.116,632 0.091,633 -0.099,634 1.991,635 6.434,636 0.59,637 58.513,638 1.015,639 1.126,640 2.982,641 8.89,642 0.693,643 3.761,644 4.06,645 4.277,646 4.522,647 4.718,648 4.754,649 4.844,650 4.913,651 4.997,652 5.011,653 8.988,654 0.65,655 614.04,656 3.761,657 5.293,658 6.12,659 6.984,660 7.832,661 8.705,662 9.567,663 10.446,664 11.318,665 12.203,666 5.7,669 1,673 3,681 7,686 5,688 12,702 3,703 70,705 15,706 2,707 42,709 73,710 27,711 12,712 5,713 7,717 4,718 4,719 3,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 31,748 8,749 2,750 12,751 4,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 3,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 3,825 5.7,828 3,829 1,832 20.5,833 12.162,834 8.639,835 4.172,836 1.576,837 1.2,838 0.95,839 11.645,840 9.46,841 3.951,842 4.431,843 4.824,844 5.25,845 5.682,846 5.706,847 5.817,848 6.053,849 6.283,850 6.291,851 1,852 57,853 14.596,854 6.294,855 7.876,856 27.609,857 22.753,859 2.376,860 92.667,864 341.362,865 156.428,866 42.27,867 117.446,868 86.435,870 32.22,871 124.209,872 545.243,873 42.27,875 66.034,876 66.334,877 100.549,878 19.997,879 11.771,880 361.81,881 117.446,882 341.362,883 166.479,884 86.435,885 149.665,887 317.82,888 98.977,889 11,891 69.158,892 97.321,893 117.446,894 32.22,895 341.362,896 128.705,897 273.874,900 341.362,901 90.095,902 72.582,903 36.022,904 203.881,905 341.362,906 128.705,907 273.874,909 0.576,910 0.323,911 0.173,912 0.097,913 24,914 12,915 0.151,916 11,918 1,919 4.939,920 365.525,922 23,923 202.131,924 1,928 30.439,929 14.92,930 8.984,932 128.705,933 12.272,938 2.982,940 36.022,941 743.941,942 51,946 38.998,950 -0.805,952 71.018,953 78.811,954 0.294,955 0.593,956 0.802,957 0.911,958 0.925,959 0.925,960 5.198,961 1.95,962 6.094,963 5.911,964 4.745,965 5.118,966 3.944,967 6.864,968 4.599,969 6.355,970 1.739,971 7.627,972 5.319,973 4.29,974 4.856,975 2.909,976 7.684,977 4.032,978 7.631,979 1.614,980 9.26,981 4.985,982 6.297,983 7.107,984 6.086,985 10.795,986 6.03,987 8.933,988 1.525,989 10.953,990 4.397,991 6.648,992 7.612,993 5.238,994 12.505,995 6.272,996 10.267,997 1.262,998 12.687,999 3.308,1000 8.131,1001 9.392,1002 8.608,1003 15.157,1004 7.735,1005 11.622,1006 1.203,1007 14.453,1008 3.125,1009 8.879,1010 10.26,1011 7.914,1012 17.275,1013 8.373,1014 12.995,1015 1.174,1016 16.244,1017 2.705,1018 10.149,1019 11.844,1020 11.213,1021 19.776,1022 9.605,1023 3.266,1024 1,1025 18.055,1026 2.619,1027 11.103,1028 12.905,1029 10.72,1030 22.075,1031 10.449,1032 2.797,1033 11.459,1034 19.884,1035 2.136,1036 12.29,1037 14.393,1038 13.839,1039 24.527,1040 11.58,1041 2.664,1042 9.037,1043 21.728,1044 3.947,1045 13.349,1046 15.566,1047 13.531,1048 26.903,1049 12.534,1050 2.525,1051 7.471,1052 23.585,1053 3.649,1054 14.509,1055 16.999,1056 16.47,1057 29.342,1058 13.624,1059 2.435,1060 7.096,1061 25.452,1062 3.387,1063 15.622,1064 18.242,1065 16.323,1066 31.751,1067 14.637,1068 2.276,1069 6.965,1070 27.328,1071 2.877,1072 16.779,1073 19.643,1074 19.103,1075 34.186,1076 15.715,1077 2.153,1078 6.215,1079 29.212,1080 2.812,1081 17.92,1082 20.929,1083 19.094,1084 36.61,1085 16.761,1086 24580,1087 44300,1088 27.739,1089 48.483,1090 62.211,1091 66.932,1092 63.667,1093 62.292,1094 61.741,1095 73.751,1096 25.703,1097 171.619,1098 56.865,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 20.93,1109 1.481,1110 1.594,1111 1.516,1112 1.483,1113 1.47,1114 1.756,1115 0.612,1116 4.086,1117 1.354,1118 3.995,1119 4.019,1120 4.167,1121 3.938,1122 7.435,1123 3.918,1124 3.913,1125 3.938,1126 4,1127 3.862,1128 7.427,1129 3.852,1130 3.829,1131 3.889,1132 3.957,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.015,1141 3.618,1142 3.633,1143 3.686,1144 3.585,1145 3.413,1146 4.938,1147 3.431,1148 3.496,1149 3.55,1150 3.554,1151 3.289,1152 4.629,1153 3.299,1154 3.328,1155 3.374,1156 3.491,1157 3.141,1158 4.627,1159 3.138,1160 3.124,1161 3.206,1162 3.301,1163 2.995,1164 4.359,1165 2.977,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.906,1185 1.883,1186 2.009,1187 2.004,1188 1.299,1189 2.006,1190 1.896,1191 1.881,1192 1.987,1193 1.994,1194 1.18,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.861,1206 1.099,1207 1.851,1208 1.581,1209 1.528,1210 1.776,1211 1.798,1212 1.081,1213 1.798,1214 1.437,1215 1.381,1216 1.641,1217 1.665,1218 0.868,1219 1.667,1220 1.264,1221 1.214,1222 1.513,1223 1.483,1224 0.825,1225 1.492,1226 1.153,1227 1.09,1228 1.484,1229 1.376,1230 0.667,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.226,1236 4.844,1237 8.79,1238 7.018,1239 10.402,1242 18.586,1247 5.577,1248 5.768,1249 5.363,1250 1.31,1251 -1.178,1252 3.795,1257 45.516,1258 126.333,1259 254.62,1260 343.889,1261 391.05,1262 397.05,1263 397.05,1264 115.209,1265 7.885,1266 90.98,1267 116.28,1268 23,1269 12.739,1270 4,1271 3.322,1272 70.17,1273 198,1274 242,1275 0.16,1276 293.135,1277 523.96,1278 707.01,1279 31210,1280 4.3,1281 27.777,1282 0.712,1283 0.626,1284 29.631,1285 24.421,1286 18.796,1287 0.448,1288 0.354,1289 12.78,1290 16.778,1291 12.372,1292 10.07,1293 20.07,1294 14.864,1295 16.927,1296 0.297,1297 0.21,1298 18.73,1299 11.945,1300 13.368,1301 0.188,1302 0.123,1303 15.084,1304 8.764,1305 10.957,1306 0.12,1307 0.074,1308 13.061,1309 6.759,1310 8.651,1311 0.078,1312 0.041,1313 10.149,1314 4.57,1315 0.255,1316 131.173,1317 0.19,1318 35.749,1319 0.428,1320 198,1321 634.369,1322 288.53,1323 708.161,1324 904.89,1325 658,1326 227,1327 539.853,1328 301.773,1329 583.053,1330 855.11,1331 548,1332 6.032}
{0 CHEMBL42266,1 1.93,2 15.833,3 4.229,4 17.888,5 156.7,6 8.871,7 0.267,8 4.392,9 4.498,10 4.11,11 3.927,12 5.51,13 3.906,14 4.994,15 5.155,16 4.566,17 4.346,18 6.424,19 4.295,20 5.244,21 5.437,22 4.611,23 4.508,24 6.382,25 4.415,26 5.326,27 5.542,28 4.702,29 4.502,30 6.498,31 4.397,32 5.274,33 5.494,34 4.598,35 4.42,36 6.552,37 4.347,38 5.274,39 5.485,40 4.567,41 4.406,42 6.537,43 4.322,44 5.215,45 5.42,46 4.541,47 4.369,48 6.469,49 4.303,50 5.162,51 5.332,52 4.599,53 4.36,54 6.696,55 4.289,56 0.25,57 1.247,58 11.813,59 7.115,60 36.316,61 8.035,62 1.293,63 2.35,64 31.928,65 12.487,66 168.623,67 14.232,68 1.187,69 2.28,70 48.393,71 17.102,72 122.71,73 19.873,74 1.496,75 2.43,76 66.195,77 18.886,78 189.965,79 21.405,80 1.431,81 2.269,82 53.281,83 17.16,84 195.191,85 20.741,86 1.719,87 2.178,88 60.005,89 16.839,90 206.188,91 19.127,92 1.449,93 1.959,94 50.354,95 15.363,96 182.392,97 17.69,98 1.67,99 1.906,100 49.676,101 15.64,102 272.881,103 17.624,104 66,105 63,106 0.301,107 0.589,108 0.782,109 0.877,110 0.887,111 0.887,112 3.765,113 1.008,114 -4.5,115 -4.42,116 -4.17,119 38.4,121 2,125 8,127 1,128 1,131 1,138 7,139 3,140 2,151 3,163 8,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 2,183 7,187 7,190 1,192 3,194 8,197 3,198 7,201 3,203 3,205 3,208 1,209 9,214 3,217 7,220 1,221 8,224 1,226 4,227 5,230 1,231 8,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 7,252 4536,253 27.54,254 27.54,255 27.54,256 27.54,257 27.54,258 25.636,259 35.131,260 16.306,261 28.605,262 22.223,263 22.223,264 22.223,265 22.223,266 22.223,267 19.182,268 40.428,269 7.813,270 24.084,271 4.259,272 2.417,273 1.177,274 0.569,275 0.503,276 0.503,277 4.452,279 2,283 1,284 1402,285 5,287 138.561,288 502.723,295 2.825,296 79.771,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 95.167,308 665,309 4.452,310 4.788,311 7.116,312 4.19,313 3.319,314 3.947,315 3.825,316 11.689,317 3.009,318 4.432,319 4.46,320 6.875,321 4.18,322 3.266,323 3.865,324 3.784,325 11.459,326 2.903,327 4.109,328 3.669,329 6.204,330 3.741,331 2.797,332 3.387,333 1.963,334 9.037,335 2.622,336 3.812,337 3.615,338 5.515,339 3.504,340 2.535,341 3.096,342 1.909,343 7.221,344 2.434,345 3.674,346 3.513,347 5.391,348 3.443,349 2.522,350 2.861,351 1.859,352 7.027,353 2.343,354 3.58,355 3.259,356 5.34,357 3.379,358 2.4,359 2.812,360 0.901,361 6.965,362 2.298,363 3.516,364 3.002,365 5.133,366 3.233,367 2.26,368 2.705,369 0.86,370 6.215,371 2.194,372 3.48,373 2.885,374 4.988,375 3.058,376 2.13,377 2.519,378 0.8,379 5.867,380 1.88,381 2.982,382 2.746,383 4.807,384 2.659,385 1.76,386 2.092,387 0.561,388 5.068,389 1.556,390 2.93,391 2.649,392 4.594,393 2.528,394 1.614,395 2.06,396 0.215,397 4.471,398 1.471,399 2.737,400 2.176,401 4.491,402 2.513,403 1.582,404 1.75,406 4.356,407 1.421,408 2.611,409 1.947,410 3.999,411 2.402,412 1.512,413 1.605,415 3.308,416 1.27,417 2.572,418 1.819,419 3.715,420 2.178,421 1.26,422 1.601,424 3.125,425 1.137,426 2.561,427 1.68,428 3.502,429 2.112,430 1.174,431 1.514,433 2.704,434 1.081,435 2.311,436 1.678,437 3.47,438 2.095,439 1.118,440 1.295,442 2.558,443 1.059,444 20.052,445 0.477,446 1.251,447 0.03,448 44,449 1.048,450 16.5,451 0.393,452 27.5,453 0.655,454 49.033,455 1.167,456 48.348,457 0.662,458 41.571,459 0.99,460 8.676,461 0.207,462 11.331,463 0.27,464 0.164,465 0.025,466 0.289,469 3,472 0.621,473 1.155,474 0.599,475 1,476 0.546,477 0.951,478 0.628,479 0.864,480 0.799,481 0.948,482 0.431,483 0.95,484 0.801,485 0.886,486 0.959,487 1.017,488 0.73,489 1.04,490 0.943,491 0.974,492 0.934,493 1.03,494 0.993,495 1.005,496 0.736,497 0.933,498 0.746,499 0.955,500 0.758,501 0.885,502 1.052,503 0.802,504 1.015,505 0.94,506 1.134,507 0.975,508 1.011,509 0.742,510 0.925,511 0.854,512 1.073,513 0.88,514 0.768,515 0.889,516 1.075,517 1.148,518 0.844,519 1.08,520 10,521 0.42,522 4.667,523 3.264,524 2.539,525 1.803,526 1.033,527 0.93,528 0.497,529 0.448,530 31154,531 112921,532 2.001,533 42.5,535 24,536 1,538 2,539 2,541 2,542 1.814,543 1.846,544 3.894,545 0.22,550 140.916,551 1.93,552 3.773,553 5.013,554 5.621,555 5.686,556 5.686,557 3.407,558 5.136,559 5.356,560 4.16,561 3581.68,562 9.492,563 67576.4,568 451.857,569 1.6,570 5.302,571 0.222,572 0.008,573 0.074,574 0.052,575 0.042,576 0.029,577 0.018,578 0.016,579 0.008,580 0.009,581 0.478,582 0.17,583 0.75,584 0.712,585 243.638,586 -0.046,587 -0.118,588 0.022,589 -0.02,590 -0.039,591 0.001,592 0.187,593 0.2,594 0.018,595 0.062,596 0.273,597 -0.005,598 -0.064,599 -0.05,600 -0.038,601 -0.011,602 -0.032,603 -0.044,604 -0.077,605 -0.062,606 0.08,607 0.01,608 -0.075,609 0.004,610 0.082,611 -0.087,612 0.14,613 0.025,614 0.102,615 0.115,616 -0.076,617 0.111,618 -0.029,619 0.038,620 -0.098,621 -0.002,622 -0.113,623 0.042,624 0.015,625 0.091,626 -0.098,627 0.084,628 0.163,629 -0.069,630 -0.029,631 -0.109,632 0.213,633 -0.098,634 5.747,635 6.437,636 0.548,637 65.143,638 1.029,639 1.141,640 3.266,641 10.667,642 0.674,643 3.829,644 4.159,645 4.357,646 4.585,647 4.796,648 4.828,649 4.934,650 4.977,651 5.037,652 5.088,653 9.561,654 0.649,655 647.6,656 3.829,657 5.38,658 6.209,659 7.084,660 7.936,661 8.817,662 9.682,663 10.566,664 11.44,665 12.328,666 5.5,669 1,673 3,681 7,686 5,688 12,702 2,703 73,705 15,706 2,707 45,709 76,710 28,711 12,712 5,713 7,717 4,718 4,719 2,721 1,724 1,726 1,727 3,729 15,730 13,733 3,737 3,741 3,745 3,747 31,748 11,749 2,750 14,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,803 3,805 42,810 10,811 2,812 1,813 1,814 2,815 2,816 1,824 5,825 5.5,828 3,829 1,832 22.75,833 12.698,834 9.139,835 4.306,836 1.655,837 1.205,838 0.949,839 11.857,840 9.723,841 4.007,842 4.5,843 4.894,844 5.318,845 5.77,846 5.822,847 6,848 6.133,849 6.323,850 6.395,851 0.909,852 63,853 16.242,854 7.548,855 8.21,856 29.071,857 24.013,859 2.71,860 113.806,864 341.362,865 163.873,866 42.27,867 78.297,868 86.435,869 44.88,870 32.22,871 131.653,872 506.094,873 87.15,875 66.034,876 66.334,877 100.549,878 64.563,879 11.771,880 361.81,881 86.057,882 341.362,883 173.923,884 131.315,885 110.517,887 317.82,888 143.857,889 11,891 76.918,892 97.006,893 78.297,894 32.22,895 386.242,896 128.705,897 242.17,900 349.121,901 89.779,902 72.582,903 36.022,904 209.612,905 341.362,906 173.585,907 242.17,909 0.586,910 0.324,911 0.167,912 0.095,913 27,914 14,915 0.145,916 11,918 1,919 5.094,920 405.723,922 23,923 217.722,924 1,928 32.904,929 15.135,930 9.498,932 173.585,933 9.525,938 0.771,940 36.022,941 757.117,942 54,946 39.009,950 -1.252,952 75.116,953 83.301,954 0.312,955 0.61,956 0.81,957 0.908,958 0.919,959 0.919,960 5.278,961 2.13,962 6.221,963 6.215,964 4.844,965 5.187,966 4.269,967 7.036,968 4.69,969 6.459,970 1.76,971 7.791,972 5.867,973 4.575,974 5.027,975 4.203,976 8.104,977 4.261,978 7.758,979 1.614,980 9.471,981 5.068,982 6.479,983 7.201,984 6.499,985 11.14,986 6.171,987 9.086,988 1.582,989 11.219,990 4.471,991 7.004,992 7.792,993 6.899,994 13.05,995 6.521,996 10.446,997 1.512,998 13.012,999 4.356,1000 8.433,1001 9.523,1002 9.063,1003 15.677,1004 7.934,1005 11.829,1006 1.26,1007 14.838,1008 3.308,1009 9.317,1010 10.458,1011 9.594,1012 17.917,1013 8.648,1014 13.229,1015 1.174,1016 16.689,1017 3.125,1018 10.575,1019 12.011,1020 11.695,1021 20.42,1022 9.856,1023 3.319,1024 1.118,1025 18.56,1026 2.704,1027 11.624,1028 13.124,1029 12.304,1030 22.787,1031 10.75,1032 3.266,1033 11.689,1034 20.446,1035 2.558,1036 12.824,1037 14.593,1038 14.343,1039 25.251,1040 11.872,1041 2.797,1042 11.459,1043 22.344,1044 3.947,1045 13.946,1046 15.806,1047 15.015,1048 27.667,1049 12.857,1050 2.535,1051 9.037,1052 24.253,1053 3.865,1054 15.129,1055 17.229,1056 16.995,1057 30.119,1058 13.946,1059 2.522,1060 7.221,1061 26.169,1062 3.387,1063 16.286,1064 18.501,1065 17.724,1066 32.554,1067 14.976,1068 2.4,1069 7.027,1070 28.091,1071 3.096,1072 17.467,1073 19.898,1074 19.649,1075 35.004,1076 16.054,1077 2.26,1078 6.965,1079 30.019,1080 2.861,1081 18.641,1082 21.205,1083 20.429,1084 37.447,1085 17.108,1086 30052,1087 57590,1088 29.126,1089 49.199,1090 67.781,1091 71.155,1092 68.599,1093 67.648,1094 67.068,1095 79.091,1096 33.354,1097 192.525,1098 61.663,1099 5.452,1100 6.788,1101 6.918,1102 5.331,1103 5.319,1104 6.947,1105 7.475,1106 19.204,1107 5.009,1108 25.719,1109 1.506,1110 1.581,1111 1.524,1112 1.503,1113 1.49,1114 1.758,1115 0.741,1116 4.278,1117 1.37,1118 4.002,1119 4.029,1120 4.167,1121 3.94,1122 8.513,1123 3.923,1124 3.938,1125 3.962,1126 3.962,1127 3.874,1128 7.999,1129 3.87,1130 3.829,1131 3.89,1132 3.904,1133 3.675,1134 7.999,1135 3.662,1136 3.767,1137 3.793,1138 3.708,1139 3.616,1140 7.435,1141 3.619,1142 3.636,1143 3.69,1144 3.584,1145 3.414,1146 7.427,1147 3.432,1148 3.51,1149 3.566,1150 3.551,1151 3.296,1152 7.422,1153 3.309,1154 3.365,1155 3.414,1156 3.476,1157 3.156,1158 5.014,1159 3.164,1160 3.283,1161 3.321,1162 3.322,1163 3.045,1164 4.7,1165 3.065,1166 0.099,1167 0.106,1168 0.158,1169 0.093,1170 0.074,1171 4.452,1172 0.088,1173 4.788,1174 0.085,1175 7.116,1176 0.26,1177 4.19,1178 0.067,1179 3.319,1180 3.947,1181 3.825,1182 11.689,1183 3.009,1184 1.926,1185 1.901,1186 2.033,1187 2.026,1188 1.299,1189 2.027,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.188,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.171,1201 1.97,1202 1.651,1203 1.618,1204 1.825,1205 1.863,1206 1.101,1207 1.853,1208 1.582,1209 1.529,1210 1.779,1211 1.807,1212 1.084,1213 1.803,1214 1.438,1215 1.382,1216 1.642,1217 1.67,1218 0.869,1219 1.669,1220 1.292,1221 1.244,1222 1.513,1223 1.527,1224 0.825,1225 1.516,1226 1.153,1227 1.091,1228 1.497,1229 1.405,1230 0.697,1231 1.429,1232 4.511,1233 5.838,1234 2.398,1235 7.338,1236 4.844,1237 8.918,1238 7.018,1239 10.544,1242 12.498,1243 39.045,1247 4.532,1248 5.452,1249 5.342,1250 1.186,1251 -1.458,1252 3.652,1253 -4.497,1257 47.366,1258 140.916,1259 275.427,1260 365.941,1261 410.347,1262 415.102,1263 415.102,1264 153.824,1265 8.068,1266 90.98,1267 116.28,1268 23,1269 12.861,1270 4,1271 3.322,1272 78.935,1273 231,1274 272,1275 0.156,1276 297.989,1277 544.26,1278 718.854,1279 39685,1280 6.8,1281 30.277,1282 0.721,1283 0.593,1284 29.131,1285 24.921,1286 20.007,1287 0.445,1288 0.336,1289 13.302,1290 18.002,1291 12.978,1292 10.531,1293 19.781,1294 15.114,1295 18.885,1296 0.3,1297 0.192,1298 18.322,1299 12.077,1300 14.331,1301 0.186,1302 0.116,1303 14.822,1304 8.895,1305 11.475,1306 0.118,1307 0.07,1308 12.792,1309 6.756,1310 9.28,1311 0.077,1312 0.039,1313 9.972,1314 4.636,1315 0.25,1316 137.516,1317 0.185,1318 37.933,1319 0.414,1320 216,1321 884.499,1322 308.027,1323 834.579,1324 1053.57,1325 772,1326 248,1327 646.99,1328 323.491,1329 661.361,1330 990.44,1331 620,1332 6}
{0 CHEMBL42270,1 1.73,2 15.077,3 3.773,4 14.238,5 155.768,6 8.132,7 0.286,8 4.373,9 4.487,10 4.033,11 3.931,12 5.413,13 3.882,14 4.958,15 5.132,16 4.433,17 4.35,18 5.98,19 4.264,20 5.228,21 5.428,22 4.517,23 4.513,24 6.237,25 4.387,26 5.296,27 5.524,28 4.609,29 4.508,30 6.307,31 4.36,32 5.251,33 5.48,34 4.499,35 4.425,36 6.414,37 4.312,38 5.242,39 5.465,40 4.499,41 4.41,42 6.358,43 4.298,44 5.199,45 5.41,46 4.488,47 4.373,48 6.389,49 4.283,50 5.141,51 5.321,52 4.488,53 4.363,54 6.451,55 4.262,56 0.068,57 1.045,58 14.5,59 7.017,60 9.708,61 8.88,62 0.499,63 1.733,64 34.129,65 12.29,66 40.275,67 15.581,68 0.75,69 2.067,70 50.746,71 16.991,72 79.925,73 21.081,74 0.835,75 2.136,76 66.411,77 18.707,78 94.211,79 23.22,80 0.909,81 2.042,82 53.258,83 17.044,84 133.488,85 21.984,86 0.894,87 1.951,88 59.314,89 16.725,90 107.664,91 20.71,92 0.918,93 1.869,94 51.286,95 15.294,96 112.752,97 18.774,98 1.013,99 1.773,100 51.358,101 15.569,102 154.783,103 18.408,104 37,105 57,106 0.27,107 0.56,108 0.782,109 0.877,110 0.887,111 0.887,112 3.693,113 1.057,114 -3.94,115 -3.9,116 -3.7,119 38.4,120 1,121 2,125 8,127 1,128 1,138 7,139 3,140 2,151 3,163 9,165 1,166 4,169 2,171 3,172 17,175 2,176 4,179 1,181 2,183 9,187 7,190 1,192 3,194 9,197 3,198 7,201 3,203 4,205 3,208 1,209 9,214 3,217 7,220 1,221 9,224 1,226 4,227 6,230 1,231 8,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 8,252 3822,253 26.068,254 26.068,255 26.068,256 26.068,257 26.068,258 24.073,259 33.101,260 15.666,261 26.882,262 20.749,263 20.749,264 20.749,265 20.749,266 20.749,267 17.644,268 37.745,269 7.529,270 22.124,271 4.46,272 2.598,273 1.177,274 0.569,275 0.503,276 0.503,277 4.384,279 2,283 1,284 1249,285 4.359,287 127.392,288 462.55,295 2.501,296 50.888,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 84.667,308 588,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.11,319 3.669,320 6.204,321 3.743,322 2.797,323 3.649,324 1.963,325 9.037,326 2.66,327 4.044,328 3.615,329 5.532,330 3.657,331 2.664,332 3.387,333 1.909,334 7.471,335 2.611,336 3.695,337 3.513,338 5.487,339 3.45,340 2.525,341 2.877,342 1.859,343 7.096,344 2.398,345 3.593,346 3.259,347 5.34,348 3.414,349 2.435,350 2.812,351 0.901,352 6.965,353 2.308,354 3.516,355 3.002,356 5.134,357 3.261,358 2.276,359 2.725,360 0.86,361 6.215,362 2.233,363 3.487,364 2.885,365 5.001,366 3.072,367 2.153,368 2.521,369 0.8,370 5.911,371 1.954,372 3.28,373 2.837,374 4.825,375 2.942,376 1.95,377 2.517,378 0.561,379 5.319,380 1.872,381 2.979,382 2.649,383 4.719,384 2.646,385 1.739,386 2.088,387 0.215,388 4.985,389 1.549,390 2.741,391 2.281,392 4.579,393 2.518,394 1.614,395 1.767,397 4.397,398 1.434,399 2.67,400 2.176,401 3.999,402 2.408,403 1.525,404 1.734,406 3.308,407 1.272,408 2.611,409 1.819,410 3.715,411 2.205,412 1.262,413 1.604,415 3.125,416 1.203,417 2.561,418 1.68,419 3.492,420 2.176,421 1.203,422 1.514,424 2.705,425 1.137,426 2.311,427 1.678,428 3.469,429 2.112,430 1.174,431 1.295,433 2.619,434 1.059,435 2,436 1.324,437 3.259,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.195,445 0.492,446 0.962,447 0.025,448 41.75,449 1.071,450 16.5,451 0.423,452 25.25,453 0.647,454 45.182,455 1.159,456 43.805,457 0.6,458 34.975,459 0.897,460 8.037,461 0.206,462 10.758,463 0.276,464 0.153,466 0.302,472 0.69,473 1.401,474 0.642,475 1.001,476 0.526,477 0.971,478 0.865,479 1.129,480 0.84,481 0.955,482 0.57,483 0.941,484 1.056,485 1.042,486 1.011,487 1.021,488 1.069,489 1.046,490 0.953,491 1.059,492 0.907,493 1.034,494 1.129,495 0.99,496 0.762,497 1.051,498 0.75,499 0.958,500 0.861,501 0.887,502 1.17,503 0.989,504 0.944,505 0.952,506 1.334,507 0.917,508 1.352,509 0.902,510 0.923,511 0.861,512 1.605,513 0.858,514 1.246,515 1.117,516 1.155,517 1.158,518 1.604,519 1.074,520 8,521 0.344,522 3.778,523 2.889,524 2.242,525 1.504,526 0.992,527 0.773,528 0.472,529 0.388,530 25661,531 73294,532 2.037,533 46.6,534 3,535 24,536 1,538 2,539 2,541 2,542 1.797,543 1.902,544 3.829,545 0.187,550 126.278,551 1.73,552 3.592,553 5.013,554 5.621,555 5.686,556 5.686,557 3.36,558 5.132,559 5.247,560 4.069,561 3014.95,562 9.28,563 53566.1,568 451.857,569 1.42,570 5.213,571 0.19,572 0.007,573 0.066,574 0.051,575 0.042,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.432,582 0.33,583 0.75,584 0.551,585 220.892,586 -0.039,587 -0.161,588 0.033,589 -0.02,590 -0.014,591 0.001,592 -0.013,593 0.045,594 0.006,595 0.056,596 0.03,597 0.017,598 -0.087,599 0.021,600 -0.063,601 -0.006,602 -0.109,603 -0.07,604 -0.008,605 -0.045,606 0.115,607 0.01,608 -0.051,609 0.004,610 0.202,611 -0.045,612 0.135,613 0.03,614 0.24,615 0.089,616 -0.046,617 0.008,618 0.049,619 0.031,620 -0.04,621 0.046,622 -0.087,623 0.105,624 0.037,625 0.093,626 -0.065,627 0.08,628 0.061,629 -0.1,630 -0.069,631 -0.11,632 0.083,633 -0.11,634 1.964,635 6.451,636 0.59,637 58.513,638 1.008,639 1.127,640 2.714,641 7.363,642 0.677,643 3.761,644 4.06,645 4.277,646 4.522,647 4.718,648 4.754,649 4.844,650 4.913,651 4.997,652 5.011,653 8.988,654 0.633,655 593.63,656 3.761,657 5.293,658 6.12,659 6.984,660 7.832,661 8.705,662 9.567,663 10.446,664 11.318,665 12.203,666 5.5,669 1,673 3,681 7,686 5,688 12,702 2,703 73,705 15,706 2,707 42,709 76,710 28,711 12,712 5,713 7,717 4,718 4,719 2,721 1,724 1,727 3,729 15,730 13,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.5,828 3,829 1,832 20.5,833 13.019,834 8.639,835 4.387,836 1.576,837 1.2,838 0.949,839 11.381,840 9.46,841 3.951,842 4.431,843 4.824,844 5.25,845 5.682,846 5.706,847 5.817,848 6.053,849 6.283,850 6.291,851 1,852 57,853 14.612,854 6.271,855 7.822,856 27.823,857 22.919,859 2.322,860 90.556,864 376.675,865 164.938,866 42.27,867 78.297,868 86.435,870 32.22,871 132.719,872 541.407,873 42.27,874 8.825,875 66.034,876 66.334,877 100.549,878 19.682,879 11.771,880 397.124,881 78.297,882 376.675,883 174.989,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 77.983,892 97.006,893 78.297,894 32.22,895 376.675,896 128.705,897 243.236,900 376.675,901 89.779,902 81.408,903 36.022,904 164.732,905 376.675,906 128.705,907 243.236,909 0.576,910 0.323,911 0.173,912 0.097,913 24,914 12,915 0.145,916 11,918 1,919 4.939,920 365.525,922 23,923 200.131,924 1,928 30.16,929 14.717,930 8.839,932 128.705,933 12.991,938 3.678,940 36.022,941 748.616,942 51,946 39.059,950 -0.728,952 73.578,953 82.282,954 0.279,955 0.58,956 0.81,957 0.908,958 0.919,959 0.919,960 5.198,961 1.95,962 6.094,963 5.911,964 4.745,965 5.118,966 3.944,967 6.864,968 4.623,969 6.355,970 1.739,971 7.627,972 5.319,973 4.29,974 4.856,975 2.909,976 7.684,977 4.094,978 7.631,979 1.614,980 9.26,981 4.985,982 6.297,983 7.107,984 6.086,985 10.795,986 6.069,987 8.933,988 1.525,989 10.953,990 4.397,991 6.648,992 7.612,993 5.238,994 12.505,995 6.336,996 10.267,997 1.262,998 12.687,999 3.308,1000 8.131,1001 9.392,1002 8.608,1003 15.157,1004 7.783,1005 11.622,1006 1.203,1007 14.453,1008 3.125,1009 8.879,1010 10.26,1011 7.914,1012 17.275,1013 8.436,1014 12.995,1015 1.174,1016 16.244,1017 2.705,1018 10.149,1019 11.844,1020 11.213,1021 19.776,1022 9.658,1023 3.266,1024 1,1025 18.055,1026 2.619,1027 11.103,1028 12.905,1029 10.72,1030 22.075,1031 10.51,1032 2.797,1033 11.459,1034 19.884,1035 2.136,1036 12.29,1037 14.393,1038 13.839,1039 24.527,1040 11.635,1041 2.664,1042 9.037,1043 21.728,1044 3.947,1045 13.349,1046 15.566,1047 13.531,1048 26.903,1049 12.592,1050 2.525,1051 7.471,1052 23.585,1053 3.649,1054 14.509,1055 16.999,1056 16.47,1057 29.342,1058 13.679,1059 2.435,1060 7.096,1061 25.452,1062 3.387,1063 15.622,1064 18.242,1065 16.323,1066 31.751,1067 14.692,1068 2.276,1069 6.965,1070 27.328,1071 2.877,1072 16.779,1073 19.643,1074 19.103,1075 34.186,1076 15.767,1077 2.153,1078 6.215,1079 29.212,1080 2.812,1081 17.92,1082 20.929,1083 19.094,1084 36.61,1085 16.811,1086 24580,1087 41828,1088 27.739,1089 49.387,1090 62.211,1091 66.888,1092 63.667,1093 62.083,1094 61.741,1095 73.751,1096 25.703,1097 171.619,1098 57.706,1099 5.432,1100 6.788,1101 6.677,1102 5.33,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 20.93,1109 1.481,1110 1.593,1111 1.516,1112 1.478,1113 1.47,1114 1.756,1115 0.612,1116 4.086,1117 1.374,1118 3.998,1119 4.026,1120 4.167,1121 3.94,1122 7.435,1123 3.921,1124 3.927,1125 3.955,1126 3.961,1127 3.874,1128 7.427,1129 3.865,1130 3.829,1131 3.89,1132 3.866,1133 3.675,1134 7.422,1135 3.662,1136 3.766,1137 3.793,1138 3.707,1139 3.616,1140 5.014,1141 3.618,1142 3.635,1143 3.688,1144 3.582,1145 3.414,1146 4.745,1147 3.432,1148 3.502,1149 3.559,1150 3.549,1151 3.296,1152 4.629,1153 3.305,1154 3.337,1155 3.389,1156 3.448,1157 3.157,1158 4.627,1159 3.151,1160 3.199,1161 3.263,1162 3.242,1163 3.049,1164 4.234,1165 3.034,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.935,1185 1.906,1186 2.061,1187 2.024,1188 1.299,1189 2.037,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.202,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.174,1201 1.97,1202 1.651,1203 1.618,1204 1.825,1205 1.863,1206 1.103,1207 1.853,1208 1.582,1209 1.529,1210 1.784,1211 1.807,1212 1.085,1213 1.805,1214 1.439,1215 1.382,1216 1.65,1217 1.67,1218 0.869,1219 1.671,1220 1.32,1221 1.261,1222 1.588,1223 1.52,1224 0.825,1225 1.549,1226 1.153,1227 1.094,1228 1.513,1229 1.396,1230 0.772,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.226,1236 4.844,1237 8.79,1238 7.018,1239 10.402,1241 1.996,1242 12.583,1247 5.756,1248 5.837,1249 5.368,1250 1.331,1251 -1.135,1252 3.819,1257 46.216,1258 126.278,1259 262.193,1260 365.941,1261 410.347,1262 415.102,1263 415.102,1264 112.765,1265 7.885,1266 90.98,1267 116.28,1268 23,1269 12.739,1270 4,1271 3.322,1272 70.17,1273 198,1274 242,1275 0.16,1276 294.395,1277 526.05,1278 710.083,1279 31210,1280 2.7,1281 27.777,1282 0.712,1283 0.623,1284 29.131,1285 24.287,1286 18.796,1287 0.448,1288 0.352,1289 13.061,1290 17.087,1291 12.615,1292 10.328,1293 19.781,1294 14.797,1295 16.927,1296 0.297,1297 0.208,1298 18.322,1299 11.868,1300 13.368,1301 0.188,1302 0.123,1303 14.822,1304 8.723,1305 10.957,1306 0.12,1307 0.074,1308 12.792,1309 6.721,1310 8.651,1311 0.078,1312 0.041,1313 9.972,1314 4.55,1315 0.255,1316 127.998,1317 0.19,1318 35.749,1319 0.428,1320 198,1321 608.165,1322 273.01,1323 654.925,1324 846.09,1325 610,1326 227,1327 522.99,1328 292.014,1329 558.26,1330 817.97,1331 524,1332 5.638}
{0 CHEMBL42334,1 1.641,2 15.791,3 5.803,4 33.669,5 174.662,6 7.922,7 0.362,8 4.47,9 4.588,10 4.113,11 4.07,12 5.488,13 4.01,14 5.056,15 5.23,16 4.526,17 4.507,18 6.046,19 4.409,20 5.372,21 5.587,22 4.633,23 4.681,24 6.329,25 4.551,26 5.431,27 5.654,28 4.735,29 4.687,30 6.435,31 4.545,32 5.418,33 5.644,34 4.615,35 4.629,36 6.55,37 4.505,38 5.422,39 5.658,40 4.609,41 4.605,42 6.477,43 4.468,44 5.369,45 5.596,46 4.585,47 4.539,48 6.506,49 4.427,50 5.28,51 5.475,52 4.591,53 4.504,54 6.545,55 4.396,56 0.02,57 1.147,58 16.451,59 7.833,60 8.885,61 10.195,62 0.336,63 1.972,64 36.699,65 14.058,66 35.588,67 18.387,68 0.573,69 2.465,70 57.975,71 19.962,72 76.106,73 25.533,74 0.702,75 2.551,76 72.05,77 21.653,78 88.709,79 27.16,80 0.828,81 2.512,82 60.175,83 20.563,84 141.638,85 26.658,86 0.728,87 2.43,88 67.74,89 20.907,90 107.951,91 26.584,92 0.757,93 2.299,94 62.983,95 19.379,96 115.579,97 23.799,98 0.997,99 2.098,100 57.851,101 17.75,102 163.218,103 21.314,104 37,105 65,106 0.249,107 0.538,108 0.743,109 0.853,110 0.885,111 0.893,112 3.788,113 1.064,114 -5.47,115 -5.35,116 -5,119 40.7,120 1,121 5,125 5,127 2,128 1,138 10,139 4,140 2,151 3,163 15,165 1,166 6,169 2,171 4,172 25,175 1,176 5,179 1,181 2,183 18,187 8,190 1,192 4,194 20,197 3,198 6,201 3,203 5,205 9,208 1,209 10,214 6,217 10,220 1,221 12,226 5,227 7,230 1,231 11,234 2,235 1,236 3,238 9,241 1,242 12,247 1,249 10,252 4607,253 28.982,254 28.982,255 28.982,256 28.982,257 28.982,258 26.501,259 30.862,260 17.291,261 29.643,262 23.215,263 23.215,264 23.215,265 23.215,266 23.215,267 19.377,268 35.711,269 8.247,270 24.382,271 4.699,272 2.792,273 1.444,274 0.713,275 0.503,276 0.454,277 4.488,279 2,284 1470,285 4.637,287 135.59,288 603.291,292 234.228,295 2.716,296 49.99,299 0.5,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.7,307 91.667,308 679,309 4.529,310 4.788,311 6.875,312 4.191,313 3.266,314 4.446,315 3.784,316 11.459,317 3.097,318 4.432,319 3.678,320 6.664,321 4.105,322 3.11,323 3.947,324 1.963,325 10.702,326 3.008,327 4.109,328 3.616,329 6.205,330 3.742,331 2.796,332 3.388,333 1.909,334 9.038,335 2.626,336 3.789,337 3.533,338 5.696,339 3.512,340 2.534,341 3.079,342 1.859,343 7.58,344 2.469,345 3.64,346 3.265,347 5.496,348 3.453,349 2.52,350 2.844,351 0.901,352 7.02,353 2.356,354 3.544,355 3.214,356 5.34,357 3.35,358 2.361,359 2.812,360 0.8,361 6.964,362 2.315,363 3.516,364 3.001,365 5.134,366 3.181,367 2.229,368 2.696,369 0.561,370 6.215,371 2.149,372 3.462,373 2.83,374 5.011,375 3.042,376 2.087,377 2.519,378 0.215,379 5.871,380 1.878,381 3.118,382 2.649,383 4.827,384 2.665,385 1.751,386 2.427,388 5.119,389 1.618,390 2.981,391 2.539,392 4.617,393 2.618,394 1.618,395 2.09,397 4.442,398 1.606,399 2.816,400 1.822,401 4.382,402 2.572,403 1.614,404 1.931,406 4.005,407 1.51,408 2.749,409 1.748,410 4.002,411 2.45,412 1.54,413 1.8,415 3.361,416 1.378,417 2.66,418 1.68,419 3.909,420 2.363,421 1.388,422 1.675,424 3.295,425 1.276,426 2.606,427 1.618,428 3.714,429 2.249,430 1.261,431 1.6,433 3.122,434 1.246,435 2.554,436 1.583,437 3.576,438 2.224,439 1.238,440 1.506,442 2.768,443 1.207,444 21.362,445 0.497,446 1.048,447 0.024,448 47.75,449 1.11,450 20.5,451 0.477,452 27.25,453 0.634,454 52.065,455 1.211,456 47.038,457 0.581,458 40.407,459 0.94,460 8.685,461 0.202,462 12.111,463 0.282,464 0.137,466 0.318,472 0.637,473 1.29,474 0.654,475 0.95,476 0.511,477 0.943,478 0.673,479 1.163,480 0.826,481 1,482 0.51,483 0.982,484 1.01,485 0.979,486 0.94,487 0.953,488 0.988,489 0.96,490 1.029,491 1.053,492 0.9,493 1.025,494 1.091,495 0.983,496 0.851,497 1.082,498 0.791,499 0.999,500 0.987,501 0.961,502 1.097,503 1.016,504 0.884,505 0.967,506 1.208,507 0.949,508 1.411,509 0.949,510 0.968,511 0.946,512 1.571,513 0.861,514 1.465,515 1.007,516 1.112,517 1.037,518 1.734,519 0.988,520 8,521 0.398,522 4.667,523 3.576,524 2.495,525 1.741,526 1.092,527 0.88,528 0.525,529 0.517,530 33940,531 86069,532 2.072,533 46.9,534 2,535 22,536 1,538 2,539 2,540 7,541 2,542 1.82,543 1.94,544 3.89,545 0.114,550 132.887,551 1.641,552 3.548,553 4.895,554 5.627,555 5.837,556 5.886,557 3.395,558 5.24,559 5.392,560 4.131,561 3730.72,562 9.565,563 70362.1,568 513.528,569 1.406,570 5.357,571 0.17,572 0.007,573 0.072,574 0.053,575 0.038,576 0.026,577 0.018,578 0.014,579 0.009,580 0.009,581 0.415,582 0.17,583 0.5,584 0.523,585 249.886,586 -0.026,587 -0.094,588 0.034,589 0.013,590 -0.009,591 0.023,592 0.069,593 -0.003,594 0.012,595 0.002,596 0.058,597 -0.017,598 -0.058,599 0.071,600 -0.003,601 0.044,602 -0.069,603 0.015,604 0.006,605 -0.03,606 0.102,607 0.004,608 -0.029,609 -0.001,610 0.202,611 -0.07,612 0.074,613 -0.023,614 0.19,615 0.005,616 0.028,617 -0.032,618 0.078,619 0.008,620 0.005,621 0.021,622 -0.051,623 0.055,624 0.049,625 0.057,626 -0.017,627 0.091,628 0.075,629 0.006,630 -0.028,631 -0.021,632 0.082,633 -0.043,634 1.983,635 6.675,636 0.628,637 62.946,638 1,639 1.122,640 4.243,641 18.005,642 0.685,643 3.871,644 4.19,645 4.454,646 4.727,647 4.934,648 4.977,649 5.088,650 5.159,651 5.252,652 5.257,653 9.399,654 0.636,655 641.72,656 3.871,657 5.416,658 6.263,659 7.141,660 8.008,661 8.893,662 9.77,663 10.66,664 11.544,665 12.438,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 81,705 20,706 3,707 47,709 85,710 33,711 16,712 6,713 10,717 5,718 6,719 2,721 1,724 4,727 7,729 19,730 14,733 3,737 3,741 3,747 38,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 2,784 1,792 1,796 4,797 1,799 1,801 1,802 2,805 43,810 10,811 2,813 1,814 3,815 2,824 2,825 3.7,828 3,832 22.167,833 14.436,834 9.472,835 5.178,836 2.756,837 1.328,838 0.968,839 11.304,840 11.155,841 4.086,842 4.615,843 5.116,844 5.639,845 6.146,846 6.313,847 6.607,848 6.895,849 7.178,850 6.981,851 0.909,852 68,853 16.134,854 7.021,855 7.734,856 31.051,857 26.214,859 2.234,860 96.056,864 423.76,865 191.641,866 42.27,867 78.297,868 75.435,870 32.22,871 159.421,872 577.492,873 42.27,874 8.825,875 62.347,876 94.762,877 89.549,878 21.643,879 11.771,880 444.208,881 78.297,882 423.76,883 201.691,884 75.435,885 110.517,887 317.82,888 181.375,891 74.297,892 127.395,893 78.297,894 32.22,895 423.76,896 117.705,897 269.938,900 423.76,901 88.053,902 109.836,903 36.022,904 153.732,905 423.76,906 117.705,907 269.938,909 0.578,910 0.337,911 0.187,912 0.103,913 29,914 14,915 0.129,916 11,917 1,918 1.074,919 5.206,920 433.536,921 0.074,922 27,923 227.329,924 1,928 32.118,929 15.134,930 8.257,931 2.181,932 117.705,933 19.226,938 2.606,940 36.022,941 811.403,942 58.5,946 39.894,950 -0.703,952 81.018,953 90.903,954 0.259,955 0.56,956 0.772,957 0.887,958 0.921,959 0.928,960 5.339,961 2.087,962 6.244,963 6.215,964 4.875,965 5.303,966 3.915,967 7.052,968 4.78,969 6.512,970 1.751,971 7.8,972 5.871,973 4.443,974 5.085,975 2.909,976 7.951,977 4.268,978 7.803,979 1.618,980 9.459,981 5.119,982 6.46,983 7.402,984 6.084,985 11.085,986 6.279,987 9.126,988 1.614,989 11.18,990 4.442,991 6.858,992 8.026,993 5.238,994 12.86,995 6.6,996 10.484,997 1.54,998 12.944,999 4.005,1000 8.343,1001 9.856,1002 8.608,1003 15.517,1004 8.073,1005 11.867,1006 1.388,1007 14.737,1008 3.361,1009 9.137,1010 10.896,1011 7.914,1012 17.66,1013 8.797,1014 13.27,1015 1.261,1016 16.553,1017 3.295,1018 10.41,1019 12.527,1020 11.213,1021 20.157,1022 10.046,1023 3.266,1024 1.238,1025 18.387,1026 3.122,1027 11.396,1028 13.781,1029 10.72,1030 22.456,1031 10.969,1032 3.11,1033 11.459,1034 20.234,1035 2.768,1036 12.586,1037 15.323,1038 13.839,1039 24.898,1040 12.126,1041 2.796,1042 10.702,1043 22.093,1044 4.446,1045 13.663,1046 16.687,1047 13.531,1048 27.262,1049 13.145,1050 2.534,1051 9.038,1052 23.961,1053 3.947,1054 14.826,1055 18.191,1056 16.47,1057 29.687,1058 14.268,1059 2.52,1060 7.58,1061 25.837,1062 3.388,1063 15.945,1064 19.611,1065 16.323,1066 32.081,1067 15.335,1068 2.361,1069 7.02,1070 27.719,1071 3.079,1072 17.101,1073 21.099,1074 19.103,1075 34.501,1076 16.447,1077 2.229,1078 6.964,1079 29.606,1080 2.844,1081 18.243,1082 22.548,1083 19.094,1084 36.909,1085 17.537,1086 31878,1087 51183,1088 31.323,1089 55.455,1090 70.38,1091 74.973,1092 72.141,1093 70.215,1094 69.806,1095 85.63,1096 23.983,1097 198.351,1098 66.295,1099 5.529,1100 6.788,1101 6.677,1102 5.332,1103 5.266,1104 7.446,1105 7.434,1106 18.974,1107 5.097,1108 21.952,1109 1.497,1110 1.595,1111 1.535,1112 1.494,1113 1.485,1114 1.822,1115 0.51,1116 4.22,1117 1.411,1118 4.104,1119 4.127,1120 4.17,1121 4.063,1122 7.435,1123 4.057,1124 3.977,1125 4,1126 4.045,1127 3.928,1128 7.427,1129 3.908,1130 3.864,1131 3.929,1132 3.958,1133 3.71,1134 7.422,1135 3.705,1136 3.776,1137 3.804,1138 3.733,1139 3.671,1140 5.015,1141 3.653,1142 3.666,1143 3.724,1144 3.589,1145 3.484,1146 4.897,1147 3.49,1148 3.582,1149 3.639,1150 3.567,1151 3.448,1152 4.628,1153 3.438,1154 3.451,1155 3.5,1156 3.518,1157 3.305,1158 4.364,1159 3.307,1160 3.365,1161 3.421,1162 3.344,1163 3.211,1164 4.353,1165 3.205,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.529,1172 0.095,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.191,1178 0.066,1179 3.266,1180 4.446,1181 3.784,1182 11.459,1183 3.097,1184 2.085,1185 2.066,1186 2.169,1187 2.14,1188 1.419,1189 2.151,1190 1.896,1191 1.882,1192 2.065,1193 2.032,1194 1.34,1195 2.047,1196 1.839,1197 1.773,1198 1.945,1199 1.963,1200 1.19,1201 1.973,1202 1.677,1203 1.639,1204 1.874,1205 1.879,1206 1.171,1207 1.875,1208 1.629,1209 1.569,1210 1.836,1211 1.841,1212 1.102,1213 1.844,1214 1.54,1215 1.496,1216 1.733,1217 1.715,1218 0.946,1219 1.726,1220 1.454,1221 1.402,1222 1.642,1223 1.63,1224 0.872,1225 1.653,1226 1.374,1227 1.319,1228 1.613,1229 1.532,1230 0.825,1231 1.563,1232 4.554,1233 5.872,1234 2.398,1235 7.378,1236 4.844,1237 8.974,1238 7.018,1239 10.621,1241 1.946,1242 12.694,1247 8.245,1248 6.054,1250 1.344,1251 -1.401,1252 3.97,1257 51.554,1258 132.887,1259 287.368,1260 396.534,1261 455.753,1262 472.773,1263 476.773,1264 116.214,1265 8.399,1266 81.75,1267 107.05,1268 29,1269 12.967,1270 4.392,1271 3.644,1272 71.237,1273 235,1274 282,1275 0.139,1276 325.112,1277 575.22,1278 785.033,1279 61309,1280 2.5,1281 30.346,1282 0.706,1283 0.621,1284 31.7,1285 26.688,1286 20.796,1287 0.442,1288 0.355,1289 14.973,1290 19.232,1291 14.493,1292 11.909,1293 21.781,1294 16.668,1295 18.728,1296 0.288,1297 0.206,1298 20.123,1299 13.408,1300 15.391,1301 0.181,1302 0.12,1303 16.844,1304 10.163,1305 13.097,1306 0.117,1307 0.071,1308 14.933,1309 7.99,1310 10.381,1311 0.075,1312 0.04,1313 11.695,1314 5.535,1315 0.222,1316 138.952,1317 0.179,1318 38.479,1319 0.372,1320 224,1321 612.43,1322 296.465,1323 671.756,1324 884.5,1325 626,1326 262,1327 569.635,1328 324.412,1329 607.717,1330 895.73,1331 574,1332 6.591}
{0 CHEMBL42360,1 1.644,2 15.821,3 2.529,4 6.394,5 156.524,6 7.765,7 0.372,8 4.38,9 4.493,10 4.041,11 3.966,12 5.406,13 3.907,14 4.961,15 5.128,16 4.398,17 4.383,18 5.954,19 4.288,20 5.222,21 5.43,22 4.418,23 4.503,24 6.184,25 4.379,26 5.282,27 5.506,28 4.466,29 4.518,30 6.253,31 4.374,32 5.278,33 5.512,34 4.441,35 4.449,36 6.42,37 4.326,38 5.238,39 5.472,40 4.327,41 4.382,42 6.287,43 4.254,44 5.156,45 5.376,46 4.338,47 4.314,48 6.29,49 4.213,50 5.071,51 5.261,52 4.344,53 4.322,54 6.271,55 4.203,56 0.028,57 1.077,58 15.857,59 7.349,60 8.342,61 9.083,62 0.433,63 1.838,64 35.799,65 12.896,66 35.96,67 15.853,68 0.617,69 2.192,70 47.353,71 16.88,72 66.706,73 21.088,74 0.555,75 2.322,76 56.885,77 18.722,78 71.678,79 22.97,80 0.796,81 2.225,82 51.504,83 17.609,84 128.933,85 22.836,86 0.612,87 2.122,88 53.219,89 17.191,90 84.8,91 21.1,92 0.727,93 1.964,94 48.581,95 14.914,96 94.145,97 17.9,98 0.669,99 1.835,100 43.733,101 15.02,102 111.775,103 17.734,104 10,105 58,106 0.254,107 0.562,108 0.767,109 0.862,110 0.882,111 0.89,112 3.693,113 1.064,114 -3.14,115 -3.14,116 -3.01,119 39.7,121 2,125 8,127 1,128 1,138 8,139 4,147 2,151 3,163 12,165 1,166 4,169 2,171 3,172 18,175 2,176 4,179 1,181 2,183 13,187 5,190 1,192 4,194 9,197 3,198 7,201 3,203 5,205 5,208 1,209 7,214 4,217 5,220 1,221 8,224 1,226 2,227 7,230 1,231 6,234 2,235 1,236 1,238 7,241 2,242 8,249 7,252 3555,253 26.827,254 26.827,255 26.827,256 26.827,257 26.827,258 24.529,259 28.818,260 16.291,261 27.606,262 21.281,263 21.281,264 21.281,265 21.281,266 21.281,267 17.731,268 33.945,269 7.792,270 22.463,271 4.546,272 2.559,273 1.237,274 0.623,275 0.493,276 0.438,277 4.398,283 1,284 1349,285 4.301,287 237.744,288 406.678,292 210.812,295 2.893,296 42.793,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.5,305 0.5,306 0.71,307 84,308 617,309 4.493,310 4.786,311 6.817,312 4.161,313 3.236,314 4.43,315 3.784,316 11.254,317 3.028,318 4.363,319 3.65,320 6.506,321 4.03,322 3.031,323 3.668,324 1.963,325 10.196,326 2.988,327 3.903,328 3.615,329 5.937,330 3.565,331 2.59,332 3.274,333 1.909,334 8.225,335 2.516,336 3.695,337 3.503,338 5.378,339 3.447,340 2.525,341 2.942,342 1.859,343 6.967,344 2.381,345 3.591,346 3.176,347 5.34,348 3.396,349 2.415,350 2.83,351 0.901,352 6.847,353 2.305,354 3.517,355 3.101,356 5.214,357 3.257,358 2.26,359 2.713,360 0.86,361 6.311,362 2.237,363 3.463,364 2.885,365 4.986,366 3.06,367 2.059,368 2.519,369 0.8,370 5.847,371 2.058,372 3.118,373 2.292,374 4.766,375 2.669,376 1.747,377 2.427,378 0.561,379 4.972,380 1.618,381 2.991,382 2.28,383 4.414,384 2.618,385 1.618,386 2.072,387 0.215,388 4.05,389 1.595,390 2.771,391 2.176,392 4.161,393 2.516,394 1.601,395 1.904,397 3.792,398 1.461,399 2.707,400 1.807,401 3.717,402 2.362,403 1.499,404 1.701,406 3.308,407 1.278,408 2.611,409 1.678,410 3.599,411 2.274,412 1.276,413 1.6,415 2.847,416 1.253,417 2.403,418 1.618,419 3.501,420 2.179,421 1.26,422 1.36,424 2.711,425 1.138,426 2.327,427 1.353,428 3.395,429 1.994,430 1.005,431 1.297,433 2.306,434 0.99,435 2.272,436 1.256,437 3.348,438 1.952,439 1,440 1.15,442 2.136,443 0.946,444 19.1,445 0.49,446 0.763,447 0.02,448 43.75,449 1.122,450 18.5,451 0.474,452 25.25,453 0.647,454 41.754,455 1.071,456 42.7,457 0.585,458 35.3,459 0.905,460 8.313,461 0.213,462 10.768,463 0.276,464 0.052,466 0.277,472 0.724,473 1.28,474 0.754,475 0.979,476 0.522,477 0.959,478 0.938,479 1.089,480 1.088,481 1.035,482 0.594,483 0.997,484 1.065,485 0.965,486 0.99,487 0.952,488 1.069,489 1.011,490 1.021,491 1.069,492 0.998,493 1.043,494 1.18,495 1.03,496 0.779,497 1.005,498 0.785,499 0.924,500 0.874,501 0.932,502 1.243,503 1.017,504 1.039,505 1.001,506 1.385,507 0.943,508 1.581,509 0.874,510 1.051,511 0.888,512 1.802,513 0.86,514 1.26,515 1.08,516 1.106,517 1.098,518 1.632,519 1.049,520 6,521 0.315,522 3.778,523 2.417,524 1.882,525 1.226,526 0.819,527 0.553,528 0.373,529 0.319,530 28041,531 71466,532 2.126,533 46.6,535 25,536 3,538 2,539 2,541 2,542 1.794,543 2.035,544 3.877,545 0.162,550 120.002,551 1.644,552 3.63,553 4.953,554 5.566,555 5.697,556 5.751,557 3.37,558 4.958,559 5.251,560 4.131,561 3061.09,562 9.264,563 54947.3,568 451.857,569 1.211,570 5.237,571 0.14,572 0.006,573 0.065,574 0.042,575 0.034,576 0.022,577 0.016,578 0.011,579 0.008,580 0.007,581 0.351,582 0.33,583 0.63,584 0.42,585 222.065,586 -0.031,587 -0.114,588 0.073,589 0.018,590 -0.008,591 0.022,592 -0.014,593 0.052,594 -0.072,595 0.002,596 0.007,597 -0.03,598 -0.059,599 0.059,600 -0.053,601 0.008,602 -0.093,603 -0.043,604 -0.059,605 -0.063,606 0.023,607 -0.036,608 -0.075,609 -0.042,610 0.248,611 -0.04,612 0.141,613 0.005,614 0.263,615 0.04,616 -0.071,617 -0.036,618 0.003,619 -0.015,620 -0.048,621 0.025,622 -0.155,623 0.134,624 0.001,625 0.081,626 -0.114,627 0.075,628 0.04,629 -0.073,630 -0.026,631 -0.053,632 0.033,633 -0.078,634 1.864,635 6.398,636 0.667,637 56.781,638 1.002,639 1.122,640 1.911,641 3.651,642 0.679,643 3.784,644 4.078,645 4.344,646 4.605,647 4.779,648 4.812,649 4.913,650 4.963,651 5.004,652 4.984,653 9.32,654 0.633,655 566.81,656 3.784,657 5.313,658 6.155,659 7.02,660 7.881,661 8.755,662 9.626,663 10.504,664 11.382,665 12.264,666 5.5,669 1,673 3,680 2,681 10,685 1,686 2,688 16,703 73,705 19,706 2,707 43,709 77,710 29,711 14,712 3,713 7,717 5,718 6,724 1,727 3,729 17,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 2,776 3,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 2,805 39,810 10,811 2,812 1,813 1,814 2,815 2,820 1,825 5.5,828 3,829 1,832 19.167,833 12.65,834 8.667,835 4.406,836 2.518,837 1.308,838 0.975,839 10.044,840 10.696,841 4.007,842 4.508,843 5.003,844 5.512,845 5.927,846 6.124,847 6.441,848 6.719,849 6.973,850 6.624,851 0.909,852 57,853 14.621,854 6.32,855 7.718,856 28.215,857 23.656,859 2.218,860 86.5,864 376.675,865 207.124,866 42.27,868 86.435,870 63.497,871 143.627,872 463.11,873 42.27,875 66.034,876 91.108,877 100.549,878 14.641,879 35.313,880 404.859,882 376.675,883 185.897,884 86.435,885 63.497,887 353.133,888 98.977,889 11,891 69.158,892 116.739,894 63.497,895 376.675,896 128.705,897 207.124,900 376.675,901 116.016,902 97.357,903 36.022,904 86.435,905 376.675,906 128.705,907 207.124,909 0.57,910 0.332,911 0.185,912 0.099,913 26,914 11,915 0.143,916 11,917 1,918 1.077,919 5.078,920 371.344,921 0.077,922 26,923 198.131,924 2,928 28.25,929 13.865,930 7.471,931 2.227,932 128.705,933 20.062,937 1.556,938 2.02,940 36.022,941 712.505,942 54,946 39.076,950 -0.514,952 73.123,953 81.899,954 0.266,955 0.587,956 0.8,957 0.899,958 0.92,959 0.929,960 5.242,961 1.747,962 6.111,963 5.847,964 4.762,965 5.196,966 3.944,967 6.893,968 4.667,969 6.394,970 1.618,971 7.645,972 4.972,973 4.205,974 4.856,975 2.909,976 7.74,977 4.114,978 7.668,979 1.601,980 9.285,981 4.05,982 6.315,983 7.261,984 6.086,985 10.874,986 6.141,987 8.977,988 1.499,989 10.99,990 3.792,991 6.648,992 7.839,993 5.238,994 12.633,995 6.458,996 10.324,997 1.276,998 12.741,999 3.308,1000 8.169,1001 9.689,1002 8.608,1003 15.271,1004 7.916,1005 11.698,1006 1.26,1007 14.524,1008 2.847,1009 8.927,1010 10.717,1011 7.914,1012 17.401,1013 8.638,1014 13.092,1015 1.005,1016 16.331,1017 2.711,1018 10.212,1019 12.346,1020 11.213,1021 19.879,1022 9.869,1023 3.236,1024 1,1025 18.156,1026 2.306,1027 11.177,1028 13.604,1029 10.72,1030 22.164,1031 10.786,1032 3.031,1033 11.254,1034 19.995,1035 2.136,1036 12.369,1037 15.143,1038 13.839,1039 24.589,1040 11.928,1041 2.59,1042 10.196,1043 21.846,1044 4.43,1045 13.432,1046 16.515,1047 13.531,1048 26.939,1049 12.938,1050 2.525,1051 8.225,1052 23.706,1053 3.668,1054 14.592,1055 18.017,1056 16.47,1057 29.347,1058 14.046,1059 2.415,1060 6.967,1061 25.574,1062 3.274,1063 15.702,1064 19.445,1065 16.323,1066 31.726,1067 15.101,1068 2.26,1069 6.847,1070 27.449,1071 2.942,1072 16.854,1073 20.934,1074 19.103,1075 34.13,1076 16.199,1077 2.059,1078 6.311,1079 29.328,1080 2.83,1081 17.987,1082 22.391,1083 19.094,1084 36.523,1085 17.276,1086 26038,1087 41776,1088 29.413,1089 49.557,1090 64.038,1091 67.637,1092 64.326,1093 63.296,1094 63.397,1095 78.136,1096 25.703,1097 175.628,1098 60.196,1099 5.493,1100 6.786,1101 6.619,1102 5.315,1103 5.236,1104 7.43,1105 7.434,1106 18.609,1107 5.028,1108 14.369,1109 1.489,1110 1.573,1111 1.496,1112 1.472,1113 1.474,1114 1.817,1115 0.598,1116 4.084,1117 1.4,1118 4.096,1119 4.119,1120 4.244,1121 4.057,1122 7.435,1123 4.051,1124 3.954,1125 3.976,1126 4.045,1127 3.949,1128 7.427,1129 3.879,1130 3.826,1131 3.886,1132 3.982,1133 3.676,1134 7.422,1135 3.646,1136 3.731,1137 3.752,1138 3.708,1139 3.615,1140 4.898,1141 3.609,1142 3.642,1143 3.697,1144 3.554,1145 3.438,1146 4.668,1147 3.447,1148 3.532,1149 3.582,1150 3.489,1151 3.402,1152 4.625,1153 3.399,1154 3.439,1155 3.487,1156 3.342,1157 3.269,1158 4.347,1159 3.274,1160 3.319,1161 3.365,1162 3.241,1163 3.143,1164 4.208,1165 3.138,1166 0.104,1167 0.111,1168 0.159,1169 0.097,1170 0.075,1171 4.493,1172 0.103,1173 4.786,1174 0.088,1175 6.817,1176 0.262,1177 4.161,1178 0.07,1179 3.236,1180 4.43,1181 3.784,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.767,1191 1.703,1192 1.986,1193 2.002,1194 1.298,1195 2.001,1196 1.667,1197 1.626,1198 1.835,1199 1.896,1200 1.117,1201 1.874,1202 1.647,1203 1.622,1204 1.795,1205 1.825,1206 1.1,1207 1.823,1208 1.55,1209 1.496,1210 1.737,1211 1.732,1212 1.036,1213 1.745,1214 1.506,1215 1.464,1216 1.683,1217 1.627,1218 0.829,1219 1.655,1220 1.375,1221 1.336,1222 1.578,1223 1.56,1224 0.825,1225 1.572,1226 1.309,1227 1.305,1228 1.513,1229 1.472,1230 0.747,1231 1.481,1232 4.466,1233 5.765,1234 3.045,1235 7.249,1236 5.352,1237 8.822,1238 7.413,1239 10.447,1247 6.146,1248 5.961,1249 5.376,1250 1.45,1251 -0.81,1252 3.95,1257 46.221,1258 120.002,1259 265.021,1260 361.593,1261 406.347,1262 415.857,1263 419.857,1264 89.968,1265 8.179,1266 90.98,1267 144.52,1268 28,1269 12.8,1270 4.322,1271 3.585,1272 61.514,1273 213,1274 242,1275 0.133,1276 288.131,1277 505.54,1278 694.801,1279 48765,1281 27.029,1282 0.693,1283 0.602,1284 27.736,1285 23.476,1286 19.081,1287 0.444,1288 0.355,1289 13.35,1290 17.473,1291 12.934,1292 10.576,1293 19.989,1294 15.25,1295 16.674,1296 0.287,1297 0.204,1298 17.788,1299 11.844,1300 13.966,1301 0.184,1302 0.122,1303 15.355,1304 9.264,1305 11.654,1306 0.118,1307 0.073,1308 13.286,1309 7.21,1310 9.174,1311 0.078,1312 0.042,1313 10.464,1314 4.922,1315 0.215,1316 128.356,1317 0.184,1318 35.925,1319 0.349,1320 202,1321 582.619,1322 264.913,1323 593.395,1324 791.76,1325 558,1326 235,1327 522.322,1328 293.578,1329 551.162,1330 809.72,1331 519,1332 4.18}
{0 CHEMBL42411,1 1.596,2 15.773,3 2.834,4 8.031,5 170.494,6 7.391,7 0.354,8 4.518,9 4.631,10 4.101,11 4.036,12 5.57,13 4.004,14 5.097,15 5.27,16 4.462,17 4.442,18 6.103,19 4.379,20 5.334,21 5.528,22 4.56,23 4.616,24 6.323,25 4.522,26 5.428,27 5.637,28 4.581,29 4.651,30 6.426,31 4.535,32 5.474,33 5.708,34 4.599,35 4.621,36 6.57,37 4.51,38 5.453,39 5.679,40 4.5,41 4.563,42 6.503,43 4.464,44 5.394,45 5.605,46 4.521,47 4.532,48 6.536,49 4.45,50 5.403,51 5.611,52 4.532,53 4.541,54 6.605,55 4.443,56 0.049,57 1.204,58 18.526,59 8.224,60 10.885,61 10.44,62 0.595,63 1.982,64 39.794,65 13.673,66 47.273,67 17.587,68 0.717,69 2.393,70 51.424,71 18.149,72 72.037,73 23.231,74 0.802,75 2.581,76 59.15,77 20.057,78 83.249,79 26.117,80 0.922,81 2.617,82 62.121,83 20.439,84 138.39,85 27.512,86 1.054,87 2.488,88 63.155,89 19.301,90 108.719,91 24.978,92 0.944,93 2.366,94 55.542,95 17.823,96 115.352,97 22.96,98 1.202,99 2.366,100 60.081,101 19.118,102 163.162,103 23.959,104 30,105 65,106 0.241,107 0.539,108 0.75,109 0.847,110 0.871,111 0.889,112 3.81,113 0.993,114 -2.89,115 -2.9,116 -2.8,119 39.3,121 2,124 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 8,169 2,171 3,172 19,175 2,176 6,179 1,181 2,183 14,186 2,187 9,190 1,192 4,194 10,197 3,198 7,201 3,203 5,205 5,208 3,209 10,214 4,217 6,220 2,221 9,224 2,226 3,227 7,230 3,231 8,234 3,235 1,236 2,238 7,241 3,242 9,245 1,249 8,252 5120,253 30.223,254 30.223,255 30.223,256 30.223,257 30.223,258 27.821,259 35.96,260 18.111,261 31.14,262 23.596,263 23.596,264 23.596,265 23.596,266 23.596,267 19.711,268 43.107,269 8.468,270 24.838,271 4.796,272 2.816,273 1.417,274 0.774,275 0.613,276 0.494,277 4.513,283 1,284 1499,285 4.637,287 138.108,288 619.777,292 242.193,295 2.671,296 52.322,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 96,308 694,309 4.493,310 4.788,311 6.885,312 4.201,313 3.272,314 4.43,315 3.784,316 11.513,317 3.041,318 4.445,319 3.664,320 6.506,321 4.03,322 3.032,323 3.973,324 1.963,325 10.196,326 3.026,327 4.132,328 3.615,329 6.259,330 3.801,331 2.835,332 3.395,333 1.909,334 9.295,335 2.731,336 3.709,337 3.511,338 5.559,339 3.456,340 2.525,341 2.95,342 1.859,343 7.269,344 2.418,345 3.614,346 3.234,347 5.34,348 3.429,349 2.456,350 2.88,351 0.901,352 6.966,353 2.313,354 3.556,355 3.103,356 5.286,357 3.289,358 2.312,359 2.827,360 0.86,361 6.648,362 2.255,363 3.517,364 2.94,365 5.214,366 3.199,367 2.234,368 2.704,369 0.86,370 6.311,371 2.129,372 3.459,373 2.885,374 5.001,375 3.058,376 2.061,377 2.519,378 0.86,379 5.886,380 2.051,381 3.118,382 2.585,383 4.949,384 2.759,385 1.827,386 2.427,387 0.8,388 5.379,389 1.678,390 3.057,391 2.29,392 4.658,393 2.618,394 1.648,395 2.17,396 0.561,397 4.637,398 1.618,399 2.772,400 2.176,401 4.162,402 2.566,403 1.618,404 1.904,405 0.215,406 3.793,407 1.511,408 2.748,409 1.827,410 4.098,411 2.456,412 1.547,413 1.762,415 3.309,416 1.394,417 2.612,418 1.743,419 3.715,420 2.275,421 1.276,422 1.606,424 3.223,425 1.274,426 2.574,427 1.678,428 3.599,429 2.179,430 1.26,431 1.532,433 2.847,434 1.139,435 2.402,436 1.618,437 3.479,438 2.145,439 1.207,440 1.358,442 2.705,443 1.102,444 20.933,445 0.476,446 0.883,447 0.02,448 50.25,449 1.142,450 21.5,451 0.489,452 28.75,453 0.653,454 48.443,455 1.101,456 49.267,457 0.587,458 45.739,459 1.04,460 10.043,461 0.228,462 11.418,463 0.26,464 0.096,466 0.301,472 0.776,473 1.393,474 0.784,475 1.133,476 0.554,477 1.03,478 1.088,479 1.041,480 1.059,481 0.973,482 0.66,483 0.929,484 1.049,485 1.006,486 1.07,487 1.025,488 1.082,489 1.011,490 0.92,491 1.144,492 1.106,493 1.175,494 1.157,495 1.104,496 0.739,497 1.094,498 0.917,499 1.072,500 0.825,501 0.973,502 1.251,503 0.996,504 1.168,505 1.034,506 1.297,507 0.95,508 1.303,509 0.99,510 1.057,511 0.977,512 1.685,513 0.966,514 1.199,515 1.015,516 1.192,517 1.07,518 1.628,519 0.971,520 7.5,521 0.389,522 4.444,523 3.076,524 2.455,525 1.775,526 1.108,527 0.839,528 0.581,529 0.437,530 35975,531 91716,532 2.084,533 47.6,535 33,536 1,538 2,539 2,541 2,542 1.827,543 1.97,544 3.893,545 0.126,550 134.103,551 1.596,552 3.576,553 4.976,554 5.618,555 5.779,556 5.898,557 3.392,558 5.096,559 5.424,560 4.142,561 3918.34,562 9.638,563 75560.3,568 536.955,569 1.325,570 5.399,571 0.156,572 0.006,573 0.068,574 0.045,575 0.037,576 0.026,577 0.018,578 0.013,579 0.009,580 0.007,581 0.386,582 0.33,583 0.5,584 0.683,585 257.444,586 -0.031,587 -0.174,588 0.071,589 -0.051,590 -0.009,591 -0.005,592 -0.071,593 0.107,594 -0.014,595 0.092,596 -0.006,597 0.052,598 -0.076,599 0.073,600 -0.038,601 0.029,602 -0.096,603 -0.016,604 0.005,605 -0.095,606 -0.03,607 -0.1,608 -0.075,609 -0.099,610 0.177,611 -0.088,612 0.137,613 -0.045,614 0.229,615 0.025,616 -0.064,617 0.01,618 -0.045,619 -0.006,620 -0.037,621 0.017,622 -0.06,623 0.029,624 -0.016,625 0.005,626 -0.059,627 -0.014,628 0.076,629 -0.008,630 -0.019,631 0.002,632 0.082,633 0.003,634 1.978,635 6.73,636 0.614,637 68.579,638 1.004,639 1.127,640 1.661,641 2.758,642 0.656,643 3.892,644 4.19,645 4.466,646 4.727,647 4.956,648 5.004,649 5.13,650 5.198,651 5.288,652 5.308,653 9.527,654 0.62,655 620.84,656 3.892,657 5.425,658 6.271,659 7.141,660 8.008,661 8.888,662 9.765,663 10.65,664 11.534,665 12.424,666 4.8,669 1,673 3,680 2,681 10,686 4,688 17,701 2,703 84,705 20,706 3,707 48,709 88,710 33,711 16,712 6,713 10,717 5,718 6,724 1,727 3,729 19,730 14,733 3,737 3,741 3,747 40,748 10,749 2,750 11,751 1,755 4,760 0.8,761 6,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 2,805 44,810 10,811 2,812 3,813 1,814 2,815 2,825 7.1,828 3,829 1,830 2,832 22.333,833 15.317,834 9.944,835 4.94,836 2.832,837 1.334,838 0.955,839 11.675,840 11.317,841 4.103,842 4.615,843 5.128,844 5.642,845 6.159,846 6.334,847 6.635,848 6.892,849 7.182,850 6.982,851 0.909,852 69,853 16.473,854 7.041,855 7.75,856 31.509,857 25.891,859 2.25,860 99,864 447.302,865 211.754,866 42.27,868 108.434,870 32.22,871 179.535,872 555.736,873 42.27,874 21.766,875 66.034,876 94.762,877 100.549,878 47.128,879 11.771,880 467.75,882 447.302,883 221.805,884 108.434,885 32.22,887 423.76,888 120.977,889 11,891 69.158,892 152.646,894 32.22,895 447.302,896 150.705,897 211.754,900 447.302,901 95.225,902 122.777,903 36.022,904 108.434,905 447.302,906 150.705,907 211.754,909 0.569,910 0.338,911 0.187,912 0.106,913 28,914 13,915 0.148,916 13,917 1,918 1.074,919 5.309,920 444.208,921 0.074,922 27,923 234.215,924 1,928 32.42,929 15.845,930 8.402,931 2.183,932 150.705,933 19.441,938 2.917,940 36.022,941 809.761,942 59.5,946 39.884,950 -0.709,952 84.352,953 94.643,954 0.25,955 0.559,956 0.778,957 0.879,958 0.904,959 0.923,960 5.344,961 2.061,962 6.236,963 6.311,964 4.875,965 5.303,966 4,967 7.033,968 4.783,969 6.505,970 1.827,971 7.783,972 5.886,973 4.369,974 5.047,975 2.909,976 7.919,977 4.259,978 7.79,979 1.648,980 9.432,981 5.379,982 6.447,983 7.4,984 6.091,985 11.043,986 6.277,987 9.11,988 1.618,989 11.146,990 4.637,991 6.804,992 8.011,993 5.238,994 12.813,995 6.601,996 10.467,997 1.547,998 12.902,999 3.793,1000 8.314,1001 9.851,1002 8.608,1003 15.457,1004 8.064,1005 11.848,1006 1.276,1007 14.689,1008 3.309,1009 9.083,1010 10.885,1011 7.914,1012 17.596,1013 8.789,1014 13.249,1015 1.26,1016 16.499,1017 3.223,1018 10.365,1019 12.518,1020 11.213,1021 20.084,1022 10.028,1023 3.272,1024 1.207,1025 18.327,1026 2.847,1027 11.337,1028 13.767,1029 10.72,1030 22.381,1031 10.948,1032 3.032,1033 11.513,1034 20.169,1035 2.705,1036 12.53,1037 15.31,1038 13.839,1039 24.818,1040 12.096,1041 2.835,1042 10.196,1043 22.023,1044 4.43,1045 13.598,1046 16.669,1047 13.531,1048 27.182,1049 13.11,1050 2.525,1051 9.295,1052 23.886,1053 3.973,1054 14.76,1055 18.171,1056 16.47,1057 29.606,1058 14.224,1059 2.456,1060 7.269,1061 25.757,1062 3.395,1063 15.875,1064 19.587,1065 16.323,1066 32.002,1067 15.282,1068 2.312,1069 6.966,1070 27.635,1071 2.95,1072 17.03,1073 21.072,1074 19.103,1075 34.423,1076 16.384,1077 2.234,1078 6.648,1079 29.518,1080 2.88,1081 18.168,1082 22.517,1083 19.094,1084 36.835,1085 17.465,1086 33870,1087 54293,1088 32.304,1089 55.103,1090 70.77,1091 75.484,1092 72.846,1093 70.375,1094 70.471,1095 86.274,1096 29.143,1097 197.365,1098 67.097,1099 5.493,1100 6.788,1101 6.687,1102 5.343,1103 5.272,1104 7.43,1105 7.434,1106 19.055,1107 5.041,1108 20.499,1109 1.474,1110 1.573,1111 1.518,1112 1.466,1113 1.468,1114 1.797,1115 0.607,1116 4.112,1117 1.398,1118 4.098,1119 4.121,1120 4.112,1121 4.057,1122 7.435,1123 4.051,1124 3.984,1125 4.004,1126 4.033,1127 3.909,1128 7.427,1129 3.898,1130 3.831,1131 3.891,1132 3.791,1133 3.665,1134 7.422,1135 3.661,1136 3.777,1137 3.805,1138 3.708,1139 3.616,1140 4.927,1141 3.619,1142 3.643,1143 3.697,1144 3.554,1145 3.439,1146 4.888,1147 3.449,1148 3.543,1149 3.596,1150 3.487,1151 3.402,1152 4.627,1153 3.4,1154 3.444,1155 3.491,1156 3.342,1157 3.275,1158 4.578,1159 3.284,1160 3.33,1161 3.375,1162 3.241,1163 3.145,1164 4.348,1165 3.142,1166 0.094,1167 0.1,1168 0.143,1169 0.088,1170 0.068,1171 4.493,1172 0.092,1173 4.788,1174 0.079,1175 6.885,1176 0.24,1177 4.201,1178 0.063,1179 3.272,1180 4.43,1181 3.784,1182 11.513,1183 3.041,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.988,1193 2.009,1194 1.299,1195 2.005,1196 1.766,1197 1.701,1198 1.977,1199 1.994,1200 1.179,1201 1.991,1202 1.659,1203 1.626,1204 1.828,1205 1.877,1206 1.107,1207 1.86,1208 1.588,1209 1.534,1210 1.795,1211 1.821,1212 1.088,1213 1.816,1214 1.506,1215 1.465,1216 1.693,1217 1.688,1218 0.874,1219 1.69,1220 1.437,1221 1.383,1222 1.642,1223 1.609,1224 0.825,1225 1.636,1226 1.277,1227 1.228,1228 1.588,1229 1.557,1230 0.825,1231 1.564,1232 4.575,1233 5.878,1234 2.398,1235 7.376,1236 4.844,1237 8.966,1238 7.018,1239 10.607,1241 3.133,1247 5.719,1248 5.959,1249 16.389,1250 1.361,1251 -1.147,1252 3.868,1257 52.044,1258 134.103,1259 300.4,1260 417.961,1261 471.935,1262 485.445,1263 495.445,1264 112.617,1265 8.485,1266 109.44,1267 134.74,1268 29,1269 12.955,1270 4.392,1271 3.644,1272 73.718,1273 240,1274 292,1275 0.139,1276 320.435,1277 571.17,1278 773.621,1279 68057,1281 30.89,1282 0.702,1283 0.592,1284 31.244,1285 26.068,1286 21.461,1287 0.447,1288 0.331,1289 14.765,1290 20.043,1291 14.34,1292 11.794,1293 21.869,1294 15.888,1295 18.549,1296 0.285,1297 0.186,1298 19.165,1299 12.115,1300 15.762,1301 0.183,1302 0.11,1303 16.622,1304 9.422,1305 13.007,1306 0.116,1307 0.063,1308 14.052,1309 7.072,1310 10.798,1311 0.077,1312 0.036,1313 11.735,1314 5.019,1315 0.222,1316 139.87,1317 0.176,1318 39.198,1319 0.373,1320 226,1321 693.23,1322 275.729,1323 666.588,1324 890.86,1325 628,1326 264,1327 605.355,1328 313.193,1329 622.055,1330 912.75,1331 583,1332 4.481}
{0 CHEMBL42419,1 1.742,2 13.395,3 3.934,4 15.476,5 150.87,6 8.66,7 0.405,8 4.29,9 4.397,10 4.013,11 3.907,12 5.368,13 3.861,14 4.857,15 5.013,16 4.438,17 4.345,18 5.918,19 4.266,20 5.153,21 5.34,22 4.553,23 4.515,24 6.203,25 4.405,26 5.204,27 5.393,28 4.644,29 4.498,30 6.32,31 4.376,32 5.179,33 5.39,34 4.515,35 4.406,36 6.412,37 4.31,38 5.141,39 5.341,40 4.533,41 4.412,42 6.297,43 4.31,44 5.15,45 5.33,46 4.535,47 4.417,48 6.384,49 4.326,50 5.122,51 5.298,52 4.552,53 4.415,54 6.421,55 4.303,56 0.067,57 0.948,58 11.217,59 6.014,60 10.295,61 7.362,62 0.39,63 1.64,64 26.933,65 10.877,66 30.998,67 13.249,68 0.618,69 2.01,70 44.241,71 15.962,72 73.581,73 18.949,74 0.743,75 2.043,76 57.141,77 17.399,78 99.241,79 19.792,80 0.932,81 2.02,82 47.397,83 16.021,84 135.179,85 19.515,86 0.714,87 1.887,88 50.716,89 15.835,90 92.409,91 18.446,92 0.79,93 1.883,94 47.554,95 15.89,96 119.018,97 17.418,98 0.986,99 1.851,100 49.174,101 15.965,102 142.961,103 18.12,104 26,105 59,106 0.274,107 0.566,108 0.739,109 0.853,110 0.88,111 0.89,112 3.668,113 1.016,114 -4.55,115 -4.47,116 -4.21,119 42.4,121 1,125 6,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 2,166 3,169 1,171 2,172 23,175 2,176 4,179 1,181 2,183 16,187 6,192 4,194 14,197 4,198 7,201 3,203 3,205 5,209 12,212 1,214 2,217 8,221 12,226 1,227 5,230 2,231 9,234 3,236 5,238 6,242 8,247 2,249 6,252 3028,253 25.706,254 25.706,255 25.706,256 25.706,257 25.706,258 23.225,259 26.246,260 15.169,261 26.371,262 20.726,263 20.726,264 20.726,265 20.726,266 20.726,267 16.886,268 29.24,269 7.21,270 21.885,271 4.303,272 2.454,273 1.356,274 0.629,275 0.455,276 0.394,277 4.371,279 2,283 1,284 1112,285 3.937,287 112.349,288 499.379,292 197.736,295 1.932,296 48.53,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 81.667,308 509,309 4.493,310 4.788,311 6.877,312 4.194,313 3.27,314 4.43,315 3.784,316 11.466,317 3.029,318 4.434,319 3.739,320 6.506,321 4.03,322 3.032,323 3.947,324 1.991,325 10.196,326 3.013,327 4.118,328 3.669,329 6.21,330 3.764,331 2.817,332 3.397,333 1.909,334 9.064,335 2.652,336 3.917,337 3.521,338 6.016,339 3.698,340 2.744,341 3.074,342 1.86,343 8.54,344 2.607,345 3.668,346 3.268,347 5.472,348 3.37,349 2.394,350 2.94,351 0.91,352 6.959,353 2.325,354 3.509,355 3.104,356 5.22,357 3.11,358 2.174,359 2.831,360 0.569,361 6.307,362 2.073,363 3.454,364 3.006,365 5.086,366 3.031,367 2.065,368 2.718,369 0.561,370 6.005,371 1.886,372 3.118,373 2.651,374 4.855,375 2.832,376 1.876,377 2.427,378 0.4,379 5.297,380 1.769,381 3.026,382 2.439,383 4.639,384 2.618,385 1.688,386 2.1,387 0.046,388 4.549,389 1.618,390 2.931,391 2.29,392 4.235,393 2.587,394 1.618,395 1.973,397 3.887,398 1.474,399 2.771,400 1.815,401 4.159,402 2.418,403 1.535,404 1.904,406 3.785,407 1.28,408 2.701,409 1.68,410 3.996,411 2.275,412 1.275,413 1.7,415 3.125,416 1.269,417 2.563,418 1.67,419 3.599,420 2.117,421 1.177,422 1.518,424 2.847,425 1.069,426 2.402,427 1.618,428 3.504,429 2.016,430 1.056,431 1.358,433 2.533,434 1.004,435 2.184,436 1.353,437 3.392,438 1.971,439 1,440 1.125,442 2.291,443 0.965,444 18.862,445 0.496,446 0.942,447 0.025,448 45.25,449 1.191,450 20.5,451 0.539,452 24.75,453 0.651,454 40.642,455 1.07,456 40.538,457 0.614,458 37.801,459 0.995,460 8.702,461 0.229,462 9.7,463 0.255,464 0.129,466 0.334,472 0.643,473 1.258,474 0.603,475 0.878,476 0.506,477 0.864,478 0.702,479 1.098,480 0.819,481 0.944,482 0.548,483 0.924,484 1.007,485 0.941,486 0.967,487 0.976,488 1.03,489 0.976,490 1.18,491 1.163,492 0.967,493 1.117,494 1.352,495 1.064,496 0.86,497 1.009,498 0.779,499 0.941,500 0.99,501 0.886,502 1.159,503 0.958,504 0.934,505 0.977,506 1.235,507 0.939,508 1.519,509 1.018,510 1.049,511 1.025,512 1.76,513 0.957,514 1.082,515 1.062,516 1.14,517 1.167,518 1.271,519 1.06,520 7,521 0.291,522 4.667,523 3.076,524 2.175,525 1.688,526 1.007,527 0.813,528 0.49,529 0.377,530 23321,531 67670,532 2.097,533 42.4,535 23,536 1,538 2,539 2,542 1.791,543 1.966,544 3.679,545 0.175,550 114.963,551 1.742,552 3.591,553 4.689,554 5.415,555 5.59,556 5.65,557 3.043,558 5.037,559 5.219,560 3.884,561 2730.15,562 9.217,563 45826.8,568 398.93,569 1.402,570 5.18,571 0.167,572 0.006,573 0.079,574 0.05,575 0.037,576 0.029,577 0.018,578 0.014,579 0.009,580 0.008,581 0.416,582 0.17,583 0.75,584 0.523,585 210.77,586 -0.044,587 -0.105,588 0.027,589 0.016,590 -0.016,591 0.025,592 0.033,593 0.059,594 -0.013,595 0.026,596 0.018,597 -0.008,598 -0.065,599 0.099,600 -0.035,601 0.024,602 -0.094,603 -0.012,604 -0.069,605 -0.158,606 0.05,607 -0.069,608 -0.121,609 -0.089,610 0.223,611 0.008,612 0.103,613 0.043,614 0.2,615 0.079,616 -0.031,617 0.041,618 0.051,619 0.016,620 -0.021,621 0.028,622 -0.161,623 -0.018,624 -0.046,625 0.005,626 -0.123,627 -0.01,628 0.157,629 -0.055,630 -0.044,631 -0.095,632 0.13,633 -0.091,634 1.963,635 6.543,636 0.711,637 45.28,638 1.009,639 1.119,640 3.315,641 10.992,642 0.707,643 3.761,644 4.094,645 4.382,646 4.654,647 4.883,648 4.942,649 5.063,650 5.159,651 5.268,652 5.278,653 8.103,654 0.665,655 571.57,656 3.761,657 5.313,658 6.172,659 7.055,660 7.932,661 8.822,662 9.707,663 10.601,664 11.491,665 12.387,666 6.1,668 1,673 3,680 2,681 10,686 4,688 17,702 2,703 66,705 20,706 3,707 42,709 70,710 28,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 2,729 19,730 9,733 3,737 3,741 3,747 28,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,775 1,776 4,780 1,783 1,784 2,791 1,796 4,797 1,799 1,802 2,805 38,810 7,811 2,813 1,814 2,815 2,824 2,825 4.5,828 3,832 19.333,833 11.602,834 8.306,835 3.941,836 2.851,837 1.346,838 0.987,839 8.809,840 11.094,841 3.998,842 4.554,843 5.08,844 5.597,845 6.112,846 6.278,847 6.557,848 6.856,849 7.15,850 6.932,851 0.889,852 62,853 14.236,854 6.28,855 7.822,856 27.028,857 22.862,859 2.322,860 88.222,864 306.049,865 174.783,866 42.27,867 78.297,868 75.435,870 32.22,871 142.563,872 459.781,873 42.27,875 39.428,876 112.773,877 89.549,878 18.518,879 11.771,880 326.497,881 78.297,882 306.049,883 184.834,884 75.435,885 110.517,887 306.049,888 75.435,891 57.439,892 127.395,893 78.297,894 32.22,895 306.049,896 117.705,897 253.08,900 306.049,901 80.021,902 101.011,903 36.022,904 153.732,905 306.049,906 117.705,907 253.08,909 0.583,910 0.345,911 0.19,912 0.105,913 28,914 13,915 0.1,916 7,917 1,918 1.074,919 4.76,920 377.437,921 0.074,922 27,923 193.421,924 1,928 27.288,929 12.267,930 6.318,931 2.185,932 117.705,933 19.128,938 2.612,940 36.022,941 676.834,942 53.5,946 39.58,950 -0.577,952 66.6,953 73.827,954 0.288,955 0.594,956 0.776,957 0.896,958 0.925,959 0.935,960 5.254,961 1.876,962 6.159,963 6.005,964 4.779,965 5.242,966 3.915,967 6.982,968 4.675,969 6.44,970 1.688,971 7.726,972 5.297,973 4.369,974 5.047,975 2.909,976 7.906,977 4.189,978 7.74,979 1.618,980 9.395,981 4.549,982 6.382,983 7.372,984 6.085,985 11.034,986 6.19,987 9.073,988 1.535,989 11.126,990 3.887,991 6.804,992 8.009,993 5.247,994 12.813,995 6.538,996 10.44,997 1.275,998 12.896,999 3.785,1000 8.284,1001 9.841,1002 8.609,1003 15.46,1004 8,1005 11.829,1006 1.177,1007 14.694,1008 3.125,1009 9.093,1010 10.882,1011 7.918,1012 17.594,1013 8.738,1014 13.238,1015 1.056,1016 16.512,1017 2.847,1018 10.362,1019 12.511,1020 11.214,1021 20.079,1022 9.978,1023 3.27,1024 1,1025 18.346,1026 2.533,1027 11.353,1028 13.761,1029 10.721,1030 22.366,1031 10.902,1032 3.032,1033 11.466,1034 20.192,1035 2.291,1036 12.541,1037 15.301,1038 13.839,1039 24.798,1040 12.05,1041 2.817,1042 10.196,1043 22.048,1044 4.43,1045 13.617,1046 16.659,1047 13.532,1048 27.154,1049 13.062,1050 2.744,1051 9.064,1052 23.912,1053 3.947,1054 14.776,1055 18.16,1056 16.47,1057 29.571,1058 14.174,1059 2.394,1060 8.54,1061 25.783,1062 3.397,1063 15.892,1064 19.575,1065 16.323,1066 31.96,1067 15.228,1068 2.174,1069 6.959,1070 27.659,1071 3.074,1072 17.045,1073 21.059,1074 19.103,1075 34.377,1076 16.327,1077 2.065,1078 6.307,1079 29.541,1080 2.94,1081 18.182,1082 22.504,1083 19.094,1084 36.783,1085 17.402,1086 21787,1087 37343,1088 28.145,1089 46.648,1090 63.618,1091 68.113,1092 65.129,1093 63.373,1094 62.978,1095 78.785,1096 24.06,1097 181.714,1098 59.473,1099 5.493,1100 6.788,1101 6.679,1102 5.336,1103 5.27,1104 7.43,1105 7.434,1106 18.981,1107 5.029,1108 18.385,1109 1.515,1110 1.622,1111 1.551,1112 1.509,1113 1.499,1114 1.876,1115 0.573,1116 4.327,1117 1.416,1118 4.097,1119 4.119,1120 4.169,1121 4.056,1122 7.435,1123 4.051,1124 3.978,1125 4.002,1126 4.039,1127 3.928,1128 7.426,1129 3.908,1130 3.832,1131 3.89,1132 3.958,1133 3.683,1134 7.422,1135 3.676,1136 3.749,1137 3.78,1138 3.721,1139 3.593,1140 5.015,1141 3.594,1142 3.569,1143 3.621,1144 3.585,1145 3.43,1146 4.896,1147 3.424,1148 3.453,1149 3.498,1150 3.502,1151 3.288,1152 4.628,1153 3.303,1154 3.316,1155 3.361,1156 3.352,1157 3.133,1158 4.389,1159 3.132,1160 3.144,1161 3.206,1162 3.294,1163 3.023,1164 4.347,1165 3.011,1166 0.107,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.493,1172 0.105,1173 4.788,1174 0.09,1175 6.877,1176 0.273,1177 4.194,1178 0.072,1179 3.27,1180 4.43,1181 3.784,1182 11.466,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.974,1193 2.016,1194 1.255,1195 2.008,1196 1.764,1197 1.697,1198 1.939,1199 1.947,1200 1.173,1201 1.961,1202 1.65,1203 1.616,1204 1.8,1205 1.847,1206 1.099,1207 1.838,1208 1.512,1209 1.47,1210 1.692,1211 1.712,1212 0.862,1213 1.699,1214 1.448,1215 1.399,1216 1.624,1217 1.607,1218 0.825,1219 1.632,1220 1.272,1221 1.222,1222 1.513,1223 1.466,1224 0.825,1225 1.481,1226 1.153,1227 1.065,1228 1.492,1229 1.376,1230 0.612,1231 1.429,1232 4.443,1233 5.771,1234 2.398,1235 7.294,1236 4.844,1237 8.904,1238 7.018,1239 10.561,1242 12.61,1247 2.947,1248 6.199,1250 1.346,1251 -1.12,1252 3.312,1257 43.92,1258 114.963,1259 236.982,1260 309.446,1261 357.42,1262 368.93,1263 372.93,1264 94.759,1265 8.243,1266 81.75,1267 107.05,1268 29,1269 12.913,1270 4.392,1271 3.644,1272 58.875,1273 182,1274 182,1275 0.152,1276 277.15,1277 488.72,1278 668.007,1279 48297,1280 3,1281 26.648,1282 0.701,1283 0.605,1284 28.001,1285 22.99,1286 18.402,1287 0.438,1288 0.339,1289 12.534,1290 16.842,1291 12.15,1292 9.911,1293 19.387,1294 14.231,1295 16.671,1296 0.283,1297 0.195,1298 18.065,1299 11.49,1300 14.149,1301 0.179,1302 0.113,1303 15.602,1304 8.891,1305 11.884,1306 0.114,1307 0.067,1308 13.72,1309 6.933,1310 9.684,1311 0.074,1312 0.037,1313 11,1314 4.803,1315 0.239,1316 124.643,1317 0.188,1318 34.451,1319 0.414,1320 202,1321 590.43,1322 274.132,1323 648.333,1324 851.48,1325 604,1326 239,1327 544.495,1328 301.634,1329 581.561,1330 859.5,1331 549,1332 5.854}
{0 CHEMBL424689,1 1.37,2 8.81,3 5.149,4 26.516,5 90.464,6 7.231,7 0.696,8 3.779,9 3.902,10 3.391,11 3.443,12 4.785,13 3.354,14 4.3,15 4.478,16 3.778,17 3.831,18 5.224,19 3.726,20 4.542,21 4.742,22 3.663,23 3.942,24 5.429,25 3.786,26 4.737,27 5.046,28 3.652,29 3.9,30 5.464,31 3.7,32 4.37,33 4.589,34 3.692,35 3.779,36 5.308,37 3.602,38 4.318,39 4.555,40 3.432,41 3.669,42 5.114,43 3.427,44 3.951,45 4.165,46 3.094,47 3.356,48 4.838,49 3.21,50 3.99,51 4.237,52 2.873,53 3.333,54 4.717,55 3.158,56 0.044,57 0.563,58 9.445,59 4.087,60 8.327,61 5.496,62 0.131,63 0.952,64 18.271,65 7,66 14.198,67 9.542,68 0.122,69 1.173,70 21.644,71 8.767,72 19.923,73 11.994,74 0.176,75 1.361,76 31.051,77 11.626,78 26.967,79 15.451,80 0.176,81 1.059,82 21.906,83 7.354,84 23.61,85 9.254,86 0.139,87 0.99,88 28.106,89 9.472,90 17.041,91 10.475,92 0.124,93 0.683,94 14.358,95 4.705,96 13.385,97 6.015,98 0.056,99 0.619,100 12.633,101 5.496,102 9.549,103 7.575,104 12,105 33,106 0.241,107 0.564,108 0.667,109 0.735,110 0.776,111 0.793,112 3.103,113 1.054,114 -5.61,115 -5.48,116 -5.11,119 43.9,120 3,121 1,123 1,138 7,139 2,140 1,142 1,147 1,155 1,163 13,166 2,169 1,171 3,172 17,176 1,181 3,183 10,187 5,192 4,194 8,198 3,203 2,205 8,209 3,214 3,217 5,221 1,227 6,238 12,249 13,252 529,253 13.826,254 13.826,255 13.826,256 13.826,257 13.826,258 11.945,259 13.125,260 8.145,261 14.139,262 11.42,263 11.42,264 11.42,265 11.42,266 11.42,267 8.65,268 20.888,269 3.922,270 11.961,271 3.988,272 2.158,273 1.572,274 1.19,275 0.958,276 0.861,277 3.781,282 1,283 1,284 395,285 3.24,287 54.311,288 102.658,292 87.816,295 1.361,296 8.522,299 0.75,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.86,307 43,308 185,309 4.502,310 3.219,311 6.515,312 4.139,313 3.146,314 4.433,315 0.4,316 10.253,317 3.13,318 4.232,319 3.101,320 6.457,321 4.031,322 3.044,323 3.751,325 10.196,326 3.007,327 3.964,328 2.731,329 5.623,330 3.539,331 2.645,332 3.094,334 7.795,335 2.36,336 3.5,337 2.26,338 5.199,339 3.087,340 2.115,341 2.885,343 6.334,344 2.053,345 3.118,346 1.86,347 4.749,348 2.641,349 1.717,350 2.427,352 5.138,353 1.618,354 3.063,355 1.618,356 4.134,357 2.618,358 1.618,359 2.234,361 3.756,362 1.562,363 2.766,364 1.273,365 3.592,366 2.268,367 1.269,368 1.898,370 2.826,371 1.267,372 2.35,373 0.967,374 3.356,375 1.875,376 0.905,377 1.286,379 2.121,380 0.872,381 2.202,382 0.753,383 3.271,384 1.532,385 0.723,386 1.061,388 1.732,389 0.572,390 1.326,391 0.159,392 3.067,393 0.962,394 0.009,395 0.011,397 0.024,398 0.008,399 0.907,400 -0.135,401 2.745,402 0.665,403 -0.296,404 -0.345,406 -0.894,407 -0.28,408 0.882,409 -0.618,410 2.322,411 0.382,412 -0.618,413 -0.927,415 -1.478,416 -0.618,417 0.686,418 -0.629,419 2,420 0.27,421 -0.695,422 -0.948,424 -1.856,425 -0.667,426 0.385,427 -0.998,428 2,430 -1,431 -1,433 -2.662,434 -1,436 -1,437 2,439 -1,440 -1,442 -3,443 -1,444 10.633,445 0.506,446 0.661,447 0.031,448 27,449 1.286,450 14.5,451 0.69,452 12.5,453 0.595,454 18.164,455 0.865,456 21.767,457 0.531,458 15.41,459 0.734,460 4.764,461 0.227,462 5.247,463 0.25,464 0.141,465 0.047,466 0.235,472 0.952,473 1.075,474 0.808,475 0.891,476 1.116,477 0.919,478 0.592,479 1.059,480 0.808,481 0.958,482 0.574,483 0.874,484 1.214,485 1.296,486 1.047,487 1.162,488 1.311,489 1.262,490 0.83,491 0.817,492 0.702,493 0.712,494 0.582,495 0.675,496 2.315,497 0.977,498 1.295,499 0.967,500 1.946,501 0.994,502 1.417,503 1.287,504 2.119,505 1.679,506 0.858,507 1.13,508 2.526,509 0.856,510 1.504,511 1.05,512 1.71,513 1.018,514 0.508,515 0.879,516 0.83,517 0.94,518 0.759,519 1.024,520 5.5,521 0.099,522 1.778,523 1.632,524 0.831,525 0.639,526 0.233,527 0.247,528 0.193,529 0.18,530 4392,531 9052,532 2.062,533 48.8,534 9,535 7,536 1,538 1,539 2,542 1.629,543 1.924,544 3.113,545 -0.385,550 56.162,551 1.37,552 3.2,553 3.786,554 4.167,555 4.399,556 4.497,557 2.547,558 3.975,559 4.366,560 3.297,561 692.364,562 7.466,563 7384.27,568 219.66,569 1.565,570 4.311,571 0.239,572 0.01,573 0.054,574 0.058,575 0.031,576 0.027,577 0.012,578 0.015,579 0.014,580 0.014,581 0.474,582 0.67,583 0.88,584 1.029,585 95.073,586 0.016,587 -0.007,588 0.075,589 0.057,590 -0.16,591 0.043,592 0.399,593 -0.026,594 0.159,595 0.025,596 0.351,597 0.1,598 -0.152,599 -0.289,600 -0.214,601 -0.271,602 -0.299,603 -0.32,604 0.21,605 0.121,606 0.278,607 0.251,608 0.391,609 0.305,610 -0.416,611 0.187,612 -0.055,613 0.091,614 -0.453,615 -0.065,616 -0.106,617 -0.174,618 -0.292,619 -0.234,620 0.14,621 -0.08,622 -0.666,623 0.303,624 -0.348,625 -0.036,626 -0.474,627 -0.097,628 -0.037,629 0.008,630 -0.068,631 -0.045,632 -0.025,633 -0.034,634 0.981,635 1.705,636 0.714,637 15.265,638 0.981,639 1.113,640 4.376,641 19.15,642 0.695,643 3.178,644 3.526,645 3.689,646 3.989,647 4.127,648 4.159,649 4.277,650 4.317,651 4.419,652 4.344,653 5.442,654 0.633,655 296.47,656 3.178,657 4.727,658 5.549,659 6.441,660 7.28,661 8.172,662 9.019,663 9.91,664 10.762,665 11.65,666 4.9,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 41,705 16,706 2,707 23,709 43,710 18,711 13,712 3,713 7,717 3,718 4,721 3,722 1,727 1,729 13,730 5,747 20,748 2,749 1,750 3,751 1,755 2,760 0.667,775 1,776 2,780 1,796 2,799 1,801 3,805 21,810 1,811 1,816 1,819 1,832 10.917,833 8.283,834 4.431,835 2.419,836 3.199,837 1.47,838 0.979,839 3.878,840 10.009,841 3.466,842 4.107,843 4.667,844 5.302,845 5.772,846 6.036,847 6.458,848 6.835,849 7.238,850 7.257,851 0.833,852 28,853 7.748,854 3.208,855 7.425,856 15.31,857 12.667,859 1.925,860 40.417,861 0.001,863 1,864 223.651,865 145.431,866 34.796,870 31.278,871 114.153,872 223.651,873 34.796,874 26.476,875 2.535,876 73.983,877 16.786,878 29.171,879 11.771,880 243.158,882 223.651,883 148.949,885 31.278,887 223.651,891 50.278,892 81.885,893 16.786,894 31.278,895 223.651,896 34.796,897 145.431,900 223.651,901 44.972,902 100.458,903 18.011,904 16.786,905 223.651,906 34.796,907 145.431,909 0.589,910 0.304,911 0.174,912 0.09,913 17,914 7,915 0.093,916 4,917 1,918 1.133,919 3.352,920 159.359,921 0.133,922 15,923 85.484,924 1,928 14.369,929 5.667,930 3.55,931 2.474,932 34.796,933 16.875,934 4.705,937 1.671,938 3.241,940 18.011,941 403.878,942 31,952 40.232,953 45.653,954 0.256,955 0.597,956 0.707,957 0.778,958 0.821,959 0.839,960 4.7,961 0.905,962 5.58,963 2.826,964 4.205,965 4.792,966 0.278,967 6.402,968 4.126,969 5.94,970 0.723,971 7.144,972 2.121,973 4.007,974 4.663,976 7.526,977 3.936,978 7.265,979 0.009,980 8.815,981 1.732,982 5.872,983 7.044,984 0.05,985 10.465,986 5.748,987 8.624,988 -0.296,989 10.547,990 0.024,991 6.431,992 7.713,994 12.332,995 6.319,996 10.011,997 -0.618,998 12.316,999 -0.894,1000 7.837,1001 9.59,1002 0.008,1003 14.858,1004 7.694,1005 11.417,1006 -0.695,1007 14.11,1008 -1.478,1009 8.717,1010 10.66,1012 17,1013 8.585,1014 12.839,1015 -1,1016 15.922,1017 -1.856,1018 9.95,1019 12.313,1020 0.001,1021 19.395,1022 9.802,1023 3.146,1024 -1,1025 17.745,1026 -2.662,1027 10.969,1028 13.591,1030 21.643,1031 10.828,1032 3.044,1033 10.253,1034 19.577,1035 -3,1036 12.135,1037 15.143,1039 23.993,1040 11.986,1041 2.645,1042 10.196,1043 21.417,1044 4.433,1045 13.214,1046 16.524,1048 26.284,1049 13.069,1050 2.115,1051 7.795,1052 23.262,1053 3.751,1054 14.355,1055 18.033,1057 28.617,1058 14.205,1059 1.717,1060 6.334,1061 25.111,1062 3.094,1063 15.462,1064 19.466,1066 30.927,1067 15.312,1068 1.618,1069 5.138,1070 26.964,1071 2.885,1072 16.595,1073 20.957,1075 33.255,1076 16.442,1077 1.269,1078 3.756,1079 28.819,1080 2.427,1081 17.714,1082 22.415,1084 35.573,1085 17.56,1086 4308,1087 6327,1088 15.197,1089 28.512,1090 35.133,1091 34.594,1092 34.533,1093 34.25,1094 34.384,1095 46.16,1096 0.8,1097 100.35,1098 32.897,1099 5.294,1100 5.219,1101 6.205,1102 5.249,1103 5.146,1104 7.433,1105 0.8,1106 17.094,1107 5.13,1108 9.944,1109 1.528,1110 1.504,1111 1.501,1112 1.489,1113 1.495,1114 2.007,1115 0.035,1116 4.363,1117 1.43,1118 4.092,1119 4.115,1120 4.23,1121 4.049,1122 4.943,1123 4.043,1124 3.887,1125 3.923,1126 4.012,1127 3.851,1128 4.793,1129 3.799,1130 3.64,1131 3.688,1132 3.592,1133 3.568,1134 4.349,1135 3.52,1136 3.457,1137 3.502,1138 3.365,1139 3.381,1140 4.286,1141 3.367,1142 3.109,1143 3.171,1144 3.009,1145 2.99,1146 3.948,1147 2.987,1148 2.874,1149 3.009,1150 2.791,1151 2.697,1152 3.585,1153 2.649,1154 2.874,1155 3.009,1156 2.567,1157 2.618,1158 3.467,1159 2.57,1160 2.826,1161 2.908,1162 2.526,1163 2.618,1164 3.467,1165 2.57,1166 0.196,1167 0.14,1168 0.283,1169 0.18,1170 0.137,1171 4.502,1172 0.193,1173 3.219,1174 0.017,1175 6.515,1176 0.446,1177 4.139,1178 0.136,1179 3.146,1180 4.433,1181 0.4,1182 10.253,1183 3.13,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.298,1189 2.138,1190 1.808,1191 1.758,1192 2.028,1193 1.947,1194 1.285,1195 1.978,1196 1.5,1197 1.46,1198 1.668,1199 1.634,1200 0.715,1201 1.647,1202 1.352,1203 1.327,1204 1.532,1205 1.516,1206 0.702,1207 1.528,1208 1.28,1209 1.238,1210 1.417,1211 1.394,1212 0.474,1213 1.439,1214 0.999,1215 0.965,1216 1.417,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.334,1223 1.239,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.108,1229 1.101,1230 0.309,1231 1.15,1232 3.85,1233 5.187,1234 2.398,1235 6.696,1236 4.595,1237 8.285,1238 6.555,1239 9.918,1241 6.721,1247 1.001,1248 3.46,1253 0.269,1257 25.971,1258 56.162,1259 131.2,1260 155.214,1261 170.866,1262 180.375,1263 184.375,1264 25.613,1265 6.81,1266 24.92,1267 53.16,1268 17,1269 12.187,1270 4.087,1271 3.17,1272 32.276,1273 69,1274 56,1275 0.235,1276 165.48,1277 272.21,1278 395.532,1279 7709,1281 14.872,1282 0.708,1283 0.643,1284 15.226,1285 13.498,1286 10.011,1287 0.435,1288 0.351,1289 7.25,1290 9.436,1291 6.801,1292 5.778,1293 10.465,1294 8.084,1295 9.945,1296 0.301,1297 0.224,1298 10.522,1299 7.391,1300 6.91,1301 0.177,1302 0.105,1303 7.568,1304 4.101,1305 6.236,1306 0.118,1307 0.06,1308 6.925,1309 3.161,1310 4.693,1311 0.077,1312 0.035,1313 5.327,1314 2.138,1315 0.365,1316 65.423,1317 0.257,1318 20.81,1319 0.648,1320 112,1321 240.838,1322 139.558,1323 268.29,1324 377.45,1325 252,1326 128,1327 272.47,1328 150.814,1329 299.559,1330 433.42,1331 279,1332 6.658}
{0 CHEMBL42491,1 1.849,2 15.175,3 4.616,4 21.307,5 160.336,6 9.264,7 0.279,8 4.344,9 4.447,10 4.111,11 3.93,12 5.419,13 3.885,14 4.928,15 5.085,16 4.539,17 4.358,18 5.999,19 4.276,20 5.21,21 5.397,22 4.722,23 4.534,24 6.288,25 4.412,26 5.254,27 5.458,28 4.71,29 4.509,30 6.339,31 4.367,32 5.217,33 5.433,34 4.56,35 4.416,36 6.425,37 4.307,38 5.188,39 5.387,40 4.588,41 4.405,42 6.382,43 4.303,44 5.177,45 5.375,46 4.57,47 4.376,48 6.42,49 4.289,50 5.112,51 5.283,52 4.619,53 4.381,54 6.438,55 4.273,56 0.149,57 0.985,58 10.5,59 6.439,60 14.374,61 7.709,62 0.616,63 1.644,64 28.929,65 11.799,66 44.617,67 13.865,68 1.03,69 1.952,70 53.549,71 17.131,72 100.567,73 19.707,74 1.112,75 1.985,76 67.985,77 18.666,78 117.605,79 21.394,80 1.185,81 1.922,82 57.184,83 17.295,84 150.282,85 20.875,86 1.105,87 1.837,88 56.226,89 16.632,90 125.399,91 19.011,92 1.214,93 1.799,94 51.139,95 15.562,96 140.808,97 17.53,98 1.169,99 1.681,100 53.714,101 15.923,102 157.701,103 17.518,104 50,105 59,106 0.291,107 0.576,108 0.779,109 0.883,110 0.892,111 0.892,112 3.717,113 1.071,114 -4.4,115 -4.33,116 -4.09,119 38.6,121 2,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 5,165 1,166 4,169 2,171 3,172 13,175 2,176 4,179 1,181 1,183 10,187 7,190 1,192 3,194 10,197 3,198 6,201 3,203 4,205 2,208 1,209 9,214 3,217 7,220 1,221 9,224 1,226 4,227 5,230 1,231 6,234 2,235 1,236 3,238 6,241 2,242 7,247 1,249 7,252 4022,253 26.62,254 26.62,255 26.62,256 26.62,257 26.62,258 24.544,259 31.498,260 15.827,261 27.642,262 21.184,263 21.184,264 21.184,265 21.184,266 21.184,267 18.001,268 34.114,269 7.544,270 23.043,271 4.28,272 2.466,273 1.175,274 0.514,275 0.457,276 0.457,277 4.407,279 4,283 1,284 1286,285 4.416,287 130.381,288 474.47,295 2.551,296 58.795,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 87.333,308 607,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.979,315 3.784,316 11.459,317 3.008,318 4.317,319 3.669,320 6.336,321 3.863,322 2.95,323 3.947,324 1.963,325 9.399,326 2.671,327 4.108,328 3.615,329 6.204,330 3.739,331 2.795,332 3.387,333 1.909,334 9.036,335 2.611,336 3.698,337 3.519,338 5.51,339 3.451,340 2.525,341 2.878,342 1.859,343 7.118,344 2.395,345 3.594,346 3.413,347 5.34,348 3.418,349 2.445,350 2.812,351 0.901,352 6.965,353 2.307,354 3.516,355 3.258,356 5.138,357 3.262,358 2.281,359 2.726,360 0.86,361 6.215,362 2.225,363 3.488,364 3.002,365 5.075,366 3.069,367 2.157,368 2.522,369 0.8,370 5.992,371 1.884,372 3.281,373 2.885,374 4.953,375 2.871,376 1.952,377 2.517,378 0.561,379 5.575,380 1.708,381 2.979,382 2.649,383 4.799,384 2.643,385 1.739,386 2.088,387 0.215,388 5.019,389 1.545,390 2.867,391 2.517,392 4.587,393 2.518,394 1.614,395 2.029,397 4.4,398 1.432,399 2.74,400 2.176,401 3.999,402 2.407,403 1.526,404 1.753,406 3.308,407 1.284,408 2.611,409 1.917,410 3.878,411 2.359,412 1.414,413 1.605,415 3.184,416 1.27,417 2.562,418 1.819,419 3.715,420 2.178,421 1.261,422 1.515,424 3.125,425 1.137,426 2.311,427 1.68,428 3.476,429 2.112,430 1.174,431 1.295,433 2.704,434 1.06,435 2,436 1.678,437 3.308,438 1.952,439 1,440 1,442 2.136,443 0.946,444 20.124,445 0.503,446 1.035,447 0.026,448 42.75,449 1.069,450 16.5,451 0.413,452 26.25,453 0.656,454 48.103,455 1.203,456 44.676,457 0.638,458 35.92,459 0.898,460 8.173,461 0.204,462 11.051,463 0.276,464 0.192,466 0.313,472 0.674,473 1.395,474 0.56,475 0.897,476 0.517,477 0.89,478 0.842,479 1.149,480 0.742,481 0.885,482 0.574,483 0.898,484 1.014,485 0.999,486 0.886,487 0.915,488 1.024,489 0.958,490 0.998,491 1.079,492 0.96,493 1.066,494 1.157,495 1.026,496 0.794,497 1.002,498 0.792,499 0.953,500 0.888,501 0.883,502 1.047,503 1.052,504 0.829,505 0.974,506 1.251,507 0.947,508 1.236,509 0.9,510 0.848,511 0.851,512 1.509,513 0.865,514 1.094,515 1.104,516 1.002,517 1.094,518 1.381,519 1.042,520 8,521 0.361,522 4.667,523 3.201,524 2.353,525 1.616,526 0.992,527 0.805,528 0.497,529 0.432,530 27188,531 93521,532 2.021,533 42.9,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.832,545 0.224,550 129.461,551 1.849,552 3.663,553 4.954,554 5.615,555 5.672,556 5.672,557 3.354,558 5.122,559 5.285,560 4.082,561 3183.76,562 9.355,563 57540.2,568 429.05,569 1.467,570 5.242,571 0.186,572 0.007,573 0.079,574 0.052,575 0.042,576 0.028,577 0.018,578 0.014,579 0.009,580 0.008,581 0.444,582 0.17,583 0.75,584 0.573,585 228.124,586 -0.053,587 -0.165,588 0.015,589 -0.016,590 -0.008,591 0.001,592 -0.042,593 0.032,594 0.001,595 0.068,596 0.024,597 0.017,598 -0.074,599 0.053,600 0.023,601 0.077,602 -0.08,603 0.007,604 -0.052,605 -0.06,606 0.031,607 -0.026,608 -0.079,609 -0.032,610 0.146,611 0.004,612 0.066,613 0.03,614 0.193,615 0.1,616 -0.021,617 -0.043,618 0.034,619 -0.007,620 -0.011,621 0.014,622 -0.091,623 0.114,624 0.009,625 0.087,626 -0.069,627 0.069,628 0.039,629 -0.09,630 -0.028,631 -0.071,632 0.065,633 -0.083,634 2.027,635 6.467,636 0.575,637 59.633,638 1.019,639 1.125,640 3.172,641 10.06,642 0.705,643 3.784,644 4.094,645 4.331,646 4.554,647 4.745,648 4.787,649 4.868,650 4.934,651 5.024,652 5.05,653 9.096,654 0.662,655 648.48,656 3.784,657 5.323,658 6.159,659 7.026,660 7.882,661 8.756,662 9.624,663 10.505,664 11.381,665 12.266,666 5.7,669 1,673 3,681 6,686 6,688 12,702 4,703 70,705 15,706 2,707 43,709 73,710 27,711 12,712 6,713 6,717 4,718 4,719 4,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 30,748 8,749 2,750 13,751 5,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 4,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 4,825 5.7,828 3,829 1,832 21.333,833 12.221,834 8.861,835 4.166,836 1.628,837 1.205,838 0.95,839 12.123,840 9.577,841 3.97,842 4.466,843 4.883,844 5.292,845 5.721,846 5.769,847 5.865,848 6.078,849 6.308,850 6.343,851 1,852 61,853 14.968,854 6.486,855 7.911,856 28.17,857 23.24,859 2.411,860 96.444,864 329.591,865 150.453,866 42.27,867 156.595,868 86.435,870 32.22,871 118.233,872 572.62,873 42.27,875 66.034,876 56.857,877 100.549,878 23.498,879 11.771,880 350.039,881 156.595,882 329.591,883 160.503,884 86.435,885 188.814,887 306.049,888 98.977,889 11,891 69.158,892 91.345,893 156.595,894 32.22,895 329.591,896 128.705,897 307.047,900 329.591,901 93.595,902 63.106,903 36.022,904 243.029,905 329.591,906 128.705,907 307.047,909 0.58,910 0.334,911 0.174,912 0.095,913 25,914 13,915 0.151,916 11,918 1,919 4.966,920 380.541,922 23,923 208.877,924 1,928 31.696,929 15.299,930 8.885,932 128.705,933 10.211,938 2.935,940 36.022,941 765.343,942 52,946 39.118,950 -0.899,952 71.342,953 78.755,954 0.302,955 0.598,956 0.808,957 0.916,958 0.925,959 0.925,960 5.226,961 1.952,962 6.142,963 5.992,964 4.779,965 5.153,966 3.944,967 6.932,968 4.615,969 6.393,970 1.739,971 7.694,972 5.575,973 4.369,974 4.956,975 2.909,976 7.806,977 4.074,978 7.68,979 1.614,980 9.347,981 5.019,982 6.354,983 7.178,984 6.086,985 10.917,986 6.054,987 8.996,988 1.526,989 11.061,990 4.4,991 6.758,992 7.774,993 5.238,994 12.654,995 6.321,996 10.345,997 1.414,998 12.814,999 3.308,1000 8.221,1001 9.524,1002 8.608,1003 15.302,1004 7.771,1005 11.716,1006 1.261,1007 14.597,1008 3.184,1009 9.011,1010 10.485,1011 7.914,1012 17.416,1013 8.428,1014 13.105,1015 1.174,1016 16.402,1017 3.125,1018 10.27,1019 12.05,1020 11.213,1021 19.908,1022 9.652,1023 3.266,1024 1,1025 18.224,1026 2.704,1027 11.247,1028 13.196,1029 10.72,1030 22.192,1031 10.508,1032 2.95,1033 11.459,1034 20.061,1035 2.136,1036 12.428,1037 14.674,1038 13.839,1039 24.633,1040 11.635,1041 2.795,1042 9.399,1043 21.91,1044 3.979,1045 13.497,1046 15.919,1047 13.531,1048 26.994,1049 12.594,1050 2.525,1051 9.036,1052 23.769,1053 3.947,1054 14.653,1055 17.352,1056 16.47,1057 29.42,1058 13.682,1059 2.445,1060 7.118,1061 25.637,1062 3.387,1063 15.766,1064 18.652,1065 16.323,1066 31.817,1067 14.696,1068 2.281,1069 6.965,1070 27.511,1071 2.878,1072 16.918,1073 20.06,1074 19.103,1075 34.242,1076 15.771,1077 2.157,1078 6.215,1079 29.391,1080 2.812,1081 18.055,1082 21.392,1083 19.094,1084 36.657,1085 16.816,1086 26114,1087 48742,1088 28.145,1089 49.341,1090 63.774,1091 69.109,1092 65.846,1093 63.837,1094 63.328,1095 75.554,1096 25.703,1097 178.605,1098 57.681,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.979,1105 7.434,1106 18.973,1107 5.008,1108 23.058,1109 1.483,1110 1.607,1111 1.531,1112 1.485,1113 1.473,1114 1.757,1115 0.598,1116 4.154,1117 1.341,1118 3.996,1119 4.019,1120 4.172,1121 3.94,1122 7.435,1123 3.921,1124 3.919,1125 3.937,1126 4.115,1127 3.877,1128 7.427,1129 3.865,1130 3.829,1131 3.889,1132 3.959,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.04,1141 3.618,1142 3.633,1143 3.685,1144 3.585,1145 3.414,1146 5.009,1147 3.431,1148 3.496,1149 3.55,1150 3.554,1151 3.289,1152 4.629,1153 3.299,1154 3.328,1155 3.374,1156 3.494,1157 3.141,1158 4.627,1159 3.138,1160 3.124,1161 3.206,1162 3.386,1163 2.996,1164 4.49,1165 2.978,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.093,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.979,1181 3.784,1182 11.459,1183 3.008,1184 1.901,1185 1.884,1186 1.987,1187 2.004,1188 1.299,1189 2.002,1190 1.896,1191 1.881,1192 1.976,1193 1.981,1194 1.18,1195 1.991,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.86,1206 1.098,1207 1.851,1208 1.581,1209 1.528,1210 1.774,1211 1.796,1212 1.081,1213 1.797,1214 1.437,1215 1.381,1216 1.641,1217 1.665,1218 0.868,1219 1.667,1220 1.264,1221 1.214,1222 1.513,1223 1.483,1224 0.825,1225 1.492,1226 1.153,1227 1.09,1228 1.484,1229 1.376,1230 0.666,1231 1.429,1232 4.466,1233 5.778,1234 2.398,1235 7.27,1236 4.844,1237 8.848,1238 7.018,1239 10.474,1242 24.848,1247 5.332,1248 5.717,1249 5.363,1250 1.287,1251 -1.239,1252 3.772,1257 46.344,1258 129.461,1259 256.413,1260 346.785,1261 393.05,1262 397.05,1263 397.05,1264 125.541,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.801,1270 4,1271 3.322,1272 73.023,1273 207,1274 252,1275 0.16,1276 301.468,1277 539.17,1278 727.342,1279 33867,1280 5.7,1281 28.648,1282 0.716,1283 0.637,1284 31.001,1285 25.478,1286 19.223,1287 0.447,1288 0.357,1289 12.922,1290 16.963,1291 12.481,1292 10.137,1293 20.786,1294 15.354,1295 17.317,1296 0.294,1297 0.21,1298 19.416,1299 12.377,1300 14.161,1301 0.189,1302 0.127,1303 16.625,1304 9.516,1305 11.213,1306 0.119,1307 0.074,1308 13.537,1309 6.964,1310 8.768,1311 0.077,1312 0.041,1313 10.41,1314 4.672,1315 0.255,1316 136.914,1317 0.188,1318 36.425,1319 0.428,1320 204,1321 668.572,1322 310.049,1323 770.063,1324 977.5,1325 714,1326 236,1327 568.716,1328 330.196,1329 621.539,1330 915.84,1331 584,1332 6.102}
{0 CHEMBL42523,1 1.741,2 15.762,3 3.737,4 13.962,5 162.588,6 8.069,7 0.37,8 4.424,9 4.535,10 4.079,11 3.99,12 5.501,13 3.953,14 5.003,15 5.168,16 4.474,17 4.411,18 6.073,19 4.341,20 5.287,21 5.488,22 4.571,23 4.575,24 6.33,25 4.471,26 5.34,27 5.554,28 4.631,29 4.576,30 6.411,31 4.45,32 5.33,33 5.56,34 4.549,35 4.509,36 6.482,37 4.399,38 5.299,39 5.522,40 4.494,41 4.451,42 6.441,43 4.355,44 5.253,45 5.464,46 4.495,47 4.398,48 6.476,49 4.329,50 5.192,51 5.377,52 4.511,53 4.394,54 6.561,55 4.314,56 0.085,57 1.161,58 14.727,59 7.359,60 12.996,61 8.992,62 0.514,63 1.942,64 33.694,65 12.804,66 44.441,67 15.736,68 0.831,69 2.379,70 50.356,71 17.84,72 95.791,73 21.664,74 0.904,75 2.378,76 61.977,77 19.355,78 114.909,79 23.613,80 0.973,81 2.284,82 55.991,83 18.386,84 144.206,85 23.797,86 0.972,87 2.26,88 56.958,89 17.542,90 119.148,91 21.658,92 1.006,93 2.124,94 52.015,95 15.855,96 131.655,97 19.063,98 1.136,99 2.106,100 48.224,101 16.028,102 189.998,103 18.452,104 26,105 63,106 0.267,107 0.567,108 0.758,109 0.863,110 0.886,111 0.894,112 3.765,113 1.006,114 -4.27,115 -4.21,116 -3.97,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 21,175 2,176 4,179 1,181 2,183 15,187 7,190 1,192 4,194 12,197 3,198 7,201 3,203 5,205 5,208 1,209 9,214 4,217 7,220 1,221 10,224 1,226 4,227 7,230 1,231 8,234 2,235 1,236 3,238 7,241 2,242 8,249 9,252 4460,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 30.702,260 17.084,261 29.222,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 34.836,269 8.163,270 23.957,271 4.507,272 2.553,273 1.309,274 0.625,275 0.474,276 0.421,277 4.468,279 1,283 1,284 1437,285 4.416,287 131.506,288 587.815,292 229.217,295 2.751,296 58.999,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 91.833,308 662,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.009,327 4.109,328 3.615,329 6.204,330 3.746,331 2.796,332 3.387,333 1.909,334 9.037,335 2.638,336 3.706,337 3.514,338 5.511,339 3.454,340 2.525,341 2.947,342 1.859,343 7.123,344 2.41,345 3.604,346 3.258,347 5.34,348 3.424,349 2.45,350 2.839,351 0.901,352 6.965,353 2.311,354 3.517,355 3.104,356 5.22,357 3.278,358 2.288,359 2.812,360 0.86,361 6.316,362 2.25,363 3.508,364 2.992,365 5.132,366 3.129,367 2.174,368 2.695,369 0.8,370 6.215,371 2.077,372 3.45,373 2.885,374 4.983,375 3.042,376 2.047,377 2.519,378 0.561,379 5.815,380 2.004,381 3.118,382 2.633,383 4.805,384 2.657,385 1.747,386 2.427,387 0.215,388 5.047,389 1.618,390 2.979,391 2.29,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.568,399 2.771,400 2.176,401 4.162,402 2.521,403 1.614,404 1.904,406 3.792,407 1.448,408 2.74,409 1.819,410 3.999,411 2.411,412 1.528,413 1.755,415 3.309,416 1.284,417 2.611,418 1.68,419 3.715,420 2.275,421 1.276,422 1.605,424 3.125,425 1.27,426 2.563,427 1.677,428 3.599,429 2.179,430 1.26,431 1.518,433 2.847,434 1.138,435 2.402,436 1.618,437 3.478,438 2.119,439 1.174,440 1.358,442 2.704,443 1.079,444 20.267,445 0.483,446 0.959,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 46.112,455 1.098,456 46.333,457 0.61,458 41.885,459 0.997,460 9.35,461 0.223,462 11.035,463 0.263,464 0.099,466 0.311,470 1,472 0.653,473 1.217,474 0.67,475 0.999,476 0.51,477 0.948,478 0.819,479 1.058,480 0.918,481 1.003,482 0.561,483 0.972,484 1.012,485 0.951,486 1.005,487 0.97,488 0.998,489 0.989,490 0.883,491 1.012,492 1.031,493 1.114,494 0.992,495 1.059,496 0.673,497 0.92,498 0.854,499 0.991,500 0.706,501 0.927,502 1.048,503 0.942,504 1.037,505 1.02,506 1.144,507 0.958,508 1.306,509 0.892,510 1.003,511 0.901,512 1.47,513 0.875,514 1.23,515 1.102,516 1.073,517 1.082,518 1.493,519 1.025,520 7.5,521 0.373,522 4.444,523 3.076,524 2.295,525 1.595,526 1.011,527 0.808,528 0.501,529 0.417,530 32589,531 91410,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.88,545 0.149,550 132.289,551 1.741,552 3.695,553 4.939,554 5.623,555 5.774,556 5.827,557 3.378,558 5.202,559 5.357,560 4.133,561 3558.59,562 9.495,563 66632.5,568 474.842,569 1.351,570 5.33,571 0.163,572 0.007,573 0.071,574 0.047,575 0.038,576 0.026,577 0.017,578 0.014,579 0.009,580 0.008,581 0.398,582 0.17,583 0.63,584 0.494,585 243.066,586 -0.036,587 -0.112,588 0.042,589 -0.007,590 -0.011,591 0.014,592 -0.022,593 0.009,594 -0.026,595 0.018,596 0.022,597 -0.016,598 -0.081,599 0.058,600 -0.032,601 0.047,602 -0.088,603 -0.01,604 0.001,605 -0.065,606 0.054,607 -0.058,608 -0.033,609 -0.056,610 0.167,611 -0.056,612 0.134,613 0.005,614 0.171,615 0.068,616 -0.012,617 -0.023,618 0.019,619 -0.031,620 -0.023,621 0.018,622 -0.094,623 0.04,624 0.02,625 0.055,626 -0.076,627 0.066,628 0.072,629 -0.044,630 -0.02,631 -0.045,632 0.094,633 -0.07,634 2.16,635 6.533,636 0.643,637 63.075,638 1.01,639 1.127,640 3.038,641 9.23,642 0.677,643 3.85,644 4.159,645 4.419,646 4.682,647 4.898,648 4.934,649 5.037,650 5.112,651 5.198,652 5.193,653 9.412,654 0.642,655 613.21,656 3.85,657 5.389,658 6.232,659 7.104,660 7.967,661 8.847,662 9.72,663 10.606,664 11.486,665 12.375,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 1,724 1,727 3,729 19,730 12,733 3,737 3,741 3,745 1,747 34,748 9,749 2,750 11,751 2,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 1,803 1,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.278,835 4.595,836 2.774,837 1.331,838 0.972,839 10.749,840 11.147,841 4.069,842 4.595,843 5.092,844 5.604,845 6.114,846 6.272,847 6.549,848 6.844,849 7.132,850 6.892,851 0.909,852 65,853 15.783,854 6.919,855 7.884,856 29.872,857 24.963,859 2.384,860 100.111,864 376.675,865 192.123,866 42.27,867 39.149,868 86.435,869 14.96,870 32.22,871 159.903,872 502.259,873 57.23,875 66.034,876 94.762,877 100.549,878 27.263,879 26.731,880 397.124,881 39.149,882 376.675,883 202.173,884 101.395,885 71.368,887 368.093,888 98.977,889 11,891 69.158,892 133.015,893 39.149,894 32.22,895 391.635,896 128.705,897 231.271,900 376.675,901 97.36,902 101.011,903 36.022,904 140.543,905 376.675,906 143.665,907 231.271,909 0.576,910 0.333,911 0.183,912 0.102,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.199,920 415.688,921 0.074,922 27,923 220.477,924 1,928 30.772,929 14.672,930 8.042,931 2.138,932 143.665,933 17.875,938 1.175,940 36.022,941 751.612,942 57.5,946 39.401,950 -0.892,952 76.767,953 85.678,954 0.279,955 0.591,956 0.79,957 0.9,958 0.924,959 0.933,960 5.314,961 2.047,962 6.205,963 6.215,964 4.844,965 5.283,966 3.944,967 6.999,968 4.745,969 6.484,970 1.747,971 7.751,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.216,978 7.771,979 1.618,980 9.4,981 5.047,982 6.415,983 7.382,984 6.086,985 11,986 6.23,987 9.091,988 1.614,989 11.112,990 4.404,991 6.781,992 7.996,993 5.238,994 12.76,995 6.537,996 10.446,997 1.528,998 12.867,999 3.792,1000 8.281,1001 9.834,1002 8.608,1003 15.409,1004 8.005,1005 11.826,1006 1.276,1007 14.653,1008 3.309,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.714,1014 13.226,1015 1.26,1016 16.462,1017 3.125,1018 10.333,1019 12.501,1020 11.213,1021 20.033,1022 9.957,1023 3.266,1024 1.174,1025 18.289,1026 2.847,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.865,1032 3.032,1033 11.459,1034 20.131,1035 2.704,1036 12.497,1037 15.292,1038 13.839,1039 24.762,1040 12.014,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.018,1050 2.525,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.131,1059 2.45,1060 7.123,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.183,1068 2.288,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.283,1077 2.174,1078 6.316,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.359,1086 30514,1087 51389,1088 30.917,1089 51.466,1090 68.47,1091 73.23,1092 69.911,1093 68.275,1094 68.013,1095 83.823,1096 25.703,1097 191.3,1098 64.425,1099 5.493,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 19.779,1109 1.488,1110 1.592,1111 1.52,1112 1.484,1113 1.479,1114 1.822,1115 0.559,1116 4.159,1117 1.401,1118 4.097,1119 4.12,1120 4.145,1121 4.056,1122 8.201,1123 4.051,1124 3.978,1125 4.001,1126 4.037,1127 3.919,1128 7.435,1129 3.902,1130 3.831,1131 3.891,1132 3.899,1133 3.669,1134 7.427,1135 3.662,1136 3.772,1137 3.802,1138 3.708,1139 3.616,1140 7.422,1141 3.618,1142 3.643,1143 3.697,1144 3.554,1145 3.438,1146 4.904,1147 3.448,1148 3.54,1149 3.594,1150 3.488,1151 3.402,1152 4.874,1153 3.4,1154 3.443,1155 3.49,1156 3.343,1157 3.273,1158 4.628,1159 3.282,1160 3.323,1161 3.368,1162 3.336,1163 3.144,1164 4.348,1165 3.14,1166 0.098,1167 0.104,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.875,1176 0.249,1177 4.19,1178 0.066,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.894,1191 1.877,1192 1.987,1193 2.004,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.954,1199 1.974,1200 1.171,1201 1.977,1202 1.659,1203 1.626,1204 1.827,1205 1.872,1206 1.106,1207 1.859,1208 1.587,1209 1.533,1210 1.795,1211 1.82,1212 1.087,1213 1.816,1214 1.506,1215 1.465,1216 1.692,1217 1.684,1218 0.865,1219 1.685,1220 1.433,1221 1.377,1222 1.636,1223 1.606,1224 0.825,1225 1.632,1226 1.272,1227 1.222,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1242 6.369,1243 13.798,1247 5.398,1248 5.841,1249 5.366,1250 1.252,1251 -1.335,1252 3.725,1257 48.771,1258 132.289,1259 280.787,1260 375.359,1261 427.333,1262 438.842,1263 442.842,1264 118.188,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.907,1270 4.392,1271 3.644,1272 68.709,1273 228,1274 272,1275 0.137,1276 302.789,1277 540.27,1278 730.565,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.59,1284 29.459,1285 24.763,1286 20.385,1287 0.443,1288 0.335,1289 14.006,1290 18.867,1291 13.656,1292 11.141,1293 20.688,1294 15.419,1295 18.189,1296 0.289,1297 0.192,1298 18.542,1299 12.081,1300 15.009,1301 0.183,1302 0.113,1303 15.907,1304 9.271,1305 12.543,1306 0.117,1307 0.066,1308 13.608,1309 7.097,1310 10.173,1311 0.076,1312 0.037,1313 11.2,1314 4.931,1315 0.219,1316 135.224,1317 0.18,1318 37.887,1319 0.365,1320 218,1321 710.073,1322 281.322,1323 698.196,1324 912.88,1325 652,1326 254,1327 594.461,1328 312.166,1329 614.077,1330 904.51,1331 579,1332 6}
{0 CHEMBL42585,1 1.654,2 15.805,3 3.531,4 12.469,5 162.372,6 7.832,7 0.378,8 4.418,9 4.532,10 4.053,11 3.991,12 5.459,13 3.946,14 4.996,15 5.164,16 4.439,17 4.413,18 6.013,19 4.331,20 5.277,21 5.482,22 4.508,23 4.572,24 6.263,25 4.453,26 5.327,27 5.55,28 4.447,29 4.554,30 6.304,31 4.418,32 5.323,33 5.559,34 4.467,35 4.487,36 6.454,37 4.371,38 5.286,39 5.518,40 4.438,41 4.444,42 6.349,43 4.33,44 5.241,45 5.46,46 4.421,47 4.402,48 6.388,49 4.313,50 5.177,51 5.366,52 4.45,53 4.409,54 6.43,55 4.304,56 0.038,57 1.092,58 15.55,59 7.325,60 8.927,61 9.278,62 0.44,63 1.85,64 34.58,65 12.756,66 38.382,67 16.189,68 0.674,69 2.257,70 50.93,71 17.759,72 74.932,73 22.346,74 0.597,75 2.355,76 56.116,77 18.947,78 79.333,79 24.048,80 0.845,81 2.3,82 53.969,83 18.138,84 132.884,85 23.847,86 0.684,87 2.155,88 56.153,89 17.365,90 91.794,91 22.011,92 0.748,93 2.044,94 49.252,95 15.752,96 104.085,97 19.523,98 0.826,99 1.925,100 49.569,101 16.156,102 138.309,103 19.338,104 17,105 61,106 0.254,107 0.547,108 0.739,109 0.845,110 0.87,111 0.878,112 3.741,113 1.021,114 -3.91,115 -3.86,116 -3.67,119 40.8,121 2,125 8,127 1,128 1,138 11,139 4,140 1,151 3,163 15,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 18,187 6,190 1,192 4,194 11,197 3,198 8,201 3,203 5,205 6,208 1,209 10,214 5,217 7,220 1,221 10,224 1,226 4,227 7,230 1,231 8,234 2,235 1,236 2,238 9,241 2,242 9,247 1,249 9,252 4188,253 27.982,254 27.982,255 27.982,256 27.982,257 27.982,258 25.529,259 30.42,260 16.877,261 28.686,262 22.247,263 22.247,264 22.247,265 22.247,266 22.247,267 18.469,268 34.586,269 8.079,270 23.402,271 4.593,272 2.681,273 1.435,274 0.74,275 0.579,276 0.526,277 4.446,279 1,283 1,284 1410,285 4.359,287 129.35,288 573.885,292 223.686,295 2.776,296 47.231,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 88.333,308 648,309 4.493,310 4.786,311 6.817,312 4.163,313 3.236,314 4.43,315 3.784,316 11.255,317 3.028,318 4.365,319 3.65,320 6.506,321 4.03,322 3.031,323 3.724,324 1.963,325 10.196,326 2.994,327 3.975,328 3.615,329 5.94,330 3.605,331 2.629,332 3.358,333 1.909,334 8.243,335 2.56,336 3.705,337 3.503,338 5.387,339 3.45,340 2.525,341 2.947,342 1.859,343 6.967,344 2.397,345 3.604,346 3.18,347 5.34,348 3.413,349 2.437,350 2.835,351 0.901,352 6.882,353 2.308,354 3.517,355 3.101,356 5.215,357 3.271,358 2.286,359 2.789,360 0.86,361 6.312,362 2.244,363 3.5,364 2.902,365 5.031,366 3.103,367 2.171,368 2.675,369 0.8,370 6.032,371 2.063,372 3.439,373 2.885,374 4.981,375 3.026,376 2.038,377 2.519,378 0.561,379 5.797,380 1.873,381 3.118,382 2.29,383 4.733,384 2.618,385 1.689,386 2.427,387 0.215,388 4.88,389 1.618,390 2.781,391 2.176,392 4.306,393 2.611,394 1.618,395 1.904,397 3.794,398 1.543,399 2.766,400 2.104,401 4.16,402 2.481,403 1.564,404 1.781,406 3.619,407 1.421,408 2.612,409 1.802,410 3.715,411 2.275,412 1.277,413 1.606,415 3.308,416 1.274,417 2.577,418 1.678,419 3.599,420 2.179,421 1.26,422 1.521,424 2.847,425 1.139,426 2.5,427 1.618,428 3.477,429 2.157,430 1.256,431 1.5,433 2.705,434 1.083,435 2.402,436 1.353,437 3.414,438 2,439 1.004,440 1.358,442 2.305,443 1,444 19.981,445 0.487,446 0.87,447 0.021,448 47,449 1.146,450 20.5,451 0.5,452 26.5,453 0.646,454 43.87,455 1.07,456 44.819,457 0.59,458 39.834,459 0.972,460 9.131,461 0.223,462 10.844,463 0.264,464 0.086,466 0.29,472 0.699,473 1.315,474 0.691,475 0.999,476 0.523,477 0.954,478 0.894,479 1.11,480 0.945,481 1.003,482 0.588,483 0.981,484 1.045,485 0.976,486 1.036,487 0.998,488 1.045,489 1.01,490 1,491 1.1,492 1.057,493 1.124,494 1.156,495 1.063,496 0.743,497 1.05,498 0.778,499 0.992,500 0.837,501 0.929,502 1.16,503 1.02,504 0.888,505 0.957,506 1.331,507 0.932,508 1.516,509 0.872,510 0.931,511 0.818,512 1.779,513 0.841,514 1.334,515 1.067,516 1.2,517 1.106,518 1.68,519 1.046,520 7,521 0.356,522 4.222,523 2.639,524 2.104,525 1.404,526 0.93,527 0.714,528 0.451,529 0.397,530 31242,531 82485,532 2.105,533 46.1,535 28,536 1,538 2,539 2,541 2,542 1.808,543 2,544 3.895,545 0.137,550 125.737,551 1.654,552 3.567,553 4.813,554 5.508,555 5.669,556 5.722,557 3.389,558 5.114,559 5.323,560 4.141,561 3395.97,562 9.421,563 62985.6,568 474.842,569 1.282,570 5.302,571 0.156,572 0.007,573 0.069,574 0.043,575 0.037,576 0.024,577 0.017,578 0.013,579 0.008,580 0.007,581 0.38,582 0.33,583 0.63,584 0.458,585 236.287,586 -0.032,587 -0.127,588 0.047,589 -0.007,590 -0.011,591 0.014,592 -0.011,593 0.045,594 -0.032,595 0.02,596 0.013,597 -0.023,598 -0.068,599 0.071,600 -0.055,601 0.02,602 -0.09,603 -0.032,604 -0.076,605 -0.076,606 -0.061,607 -0.082,608 -0.084,609 -0.071,610 0.223,611 -0.05,612 0.122,613 -0.008,614 0.247,615 0.049,616 -0.046,617 -0.028,618 0.073,619 0.018,620 -0.045,621 0.033,622 -0.161,623 0.131,624 0.028,625 0.128,626 -0.118,627 0.093,628 0.019,629 -0.064,630 -0.065,631 -0.058,632 0.044,633 -0.08,634 1.919,635 6.513,636 0.659,637 61.774,638 1.003,639 1.123,640 2.677,641 7.167,642 0.678,643 3.829,644 4.127,645 4.382,646 4.635,647 4.86,648 4.875,649 4.984,650 5.069,651 5.153,652 5.136,653 9.434,654 0.637,655 595.22,656 3.829,657 5.361,658 6.201,659 7.066,660 7.925,661 8.798,662 9.667,663 10.546,664 11.422,665 12.304,666 5.3,669 1,673 3,680 2,681 11,686 3,688 17,702 1,703 76,705 20,706 3,707 45,709 80,710 31,711 16,712 5,713 11,717 5,718 6,719 1,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 35,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 1,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 1,825 5.3,828 3,829 1,832 20.5,833 13.21,834 9.083,835 4.608,836 2.723,837 1.328,838 0.972,839 10.579,840 11.035,841 4.052,842 4.564,843 5.055,844 5.559,845 6.081,846 6.215,847 6.518,848 6.818,849 7.106,850 6.835,851 0.909,852 62,853 15.351,854 6.634,855 7.755,856 29.451,857 24.589,859 2.255,860 92.444,864 388.446,865 192.478,866 42.27,867 39.149,868 86.435,870 32.22,871 160.258,872 514.03,873 42.27,875 66.034,876 104.239,877 100.549,878 18.142,879 11.771,880 408.895,881 39.149,882 388.446,883 202.529,884 86.435,885 71.368,887 364.904,888 98.977,889 11,891 69.158,892 133.37,893 39.149,894 32.22,895 388.446,896 128.705,897 231.627,900 388.446,901 88.239,902 110.487,903 36.022,904 125.583,905 388.446,906 128.705,907 231.627,909 0.573,910 0.33,911 0.18,912 0.103,913 27,914 12,915 0.138,916 11,917 1,918 1.074,919 5.185,920 398.604,921 0.074,922 27,923 209.66,924 1,928 29.867,929 14.522,930 8.025,931 2.202,932 128.705,933 21.336,938 2.483,940 36.022,941 748.778,942 56.5,946 39.359,950 -0.618,952 76.254,953 85.338,954 0.265,955 0.571,956 0.77,957 0.882,958 0.907,959 0.916,960 5.29,961 2.038,962 6.163,963 6.032,964 4.812,965 5.252,966 3.944,967 6.942,968 4.72,969 6.449,970 1.689,971 7.698,972 5.797,973 4.29,974 4.956,975 2.909,976 7.786,977 4.152,978 7.728,979 1.618,980 9.336,981 4.88,982 6.368,983 7.331,984 6.086,985 10.906,986 6.196,987 9.04,988 1.564,989 11.038,990 3.794,991 6.698,992 7.894,993 5.238,994 12.65,995 6.479,996 10.386,997 1.277,998 12.783,999 3.619,1000 8.216,1001 9.759,1002 8.608,1003 15.286,1004 7.964,1005 11.758,1006 1.26,1007 14.56,1008 3.308,1009 8.962,1010 10.755,1011 7.914,1012 17.408,1013 8.658,1014 13.149,1015 1.256,1016 16.361,1017 2.847,1018 10.248,1019 12.407,1020 11.213,1021 19.885,1022 9.909,1023 3.236,1024 1.004,1025 18.181,1026 2.705,1027 11.202,1028 13.635,1029 10.72,1030 22.167,1031 10.809,1032 3.031,1033 11.255,1034 20.015,1035 2.305,1036 12.394,1037 15.189,1038 13.839,1039 24.591,1040 11.961,1041 2.629,1042 10.196,1043 21.862,1044 4.43,1045 13.45,1046 16.54,1047 13.531,1048 26.941,1049 12.962,1050 2.525,1051 8.243,1052 23.719,1053 3.724,1054 14.609,1055 18.051,1056 16.47,1057 29.348,1058 14.076,1059 2.437,1060 6.967,1061 25.585,1062 3.358,1063 15.715,1064 19.466,1065 16.323,1066 31.727,1067 15.126,1068 2.286,1069 6.882,1070 27.457,1071 2.947,1072 16.865,1073 20.959,1074 19.103,1075 34.13,1076 16.226,1077 2.171,1078 6.312,1079 29.335,1080 2.835,1081 17.996,1082 22.408,1083 19.094,1084 36.524,1085 17.301,1086 29164,1087 47605,1088 30.512,1089 51.529,1090 66.86,1091 71.173,1092 67.874,1093 66.593,1094 66.38,1095 81.999,1096 25.703,1097 184.63,1098 63.174,1099 5.493,1100 6.786,1101 6.619,1102 5.302,1103 5.236,1104 7.43,1105 7.434,1106 18.607,1107 5.028,1108 17.457,1109 1.486,1110 1.582,1111 1.508,1112 1.48,1113 1.475,1114 1.822,1115 0.571,1116 4.103,1117 1.404,1118 4.097,1119 4.12,1120 4.123,1121 4.056,1122 7.435,1123 4.051,1124 3.972,1125 3.997,1126 4.035,1127 3.916,1128 7.427,1129 3.896,1130 3.829,1131 3.891,1132 3.918,1133 3.673,1134 7.422,1135 3.662,1136 3.768,1137 3.798,1138 3.708,1139 3.616,1140 4.943,1141 3.619,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 4.894,1147 3.449,1148 3.54,1149 3.593,1150 3.499,1151 3.402,1152 4.628,1153 3.4,1154 3.442,1155 3.49,1156 3.357,1157 3.276,1158 4.361,1159 3.283,1160 3.322,1161 3.368,1162 3.272,1163 3.145,1164 4.346,1165 3.141,1166 0.1,1167 0.106,1168 0.151,1169 0.093,1170 0.072,1171 4.493,1172 0.098,1173 4.786,1174 0.084,1175 6.817,1176 0.25,1177 4.163,1178 0.067,1179 3.236,1180 4.43,1181 3.784,1182 11.255,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.902,1191 1.881,1192 1.99,1193 2.004,1194 1.299,1195 2.003,1196 1.766,1197 1.701,1198 1.981,1199 1.974,1200 1.176,1201 1.986,1202 1.659,1203 1.626,1204 1.827,1205 1.871,1206 1.107,1207 1.859,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.088,1213 1.816,1214 1.506,1215 1.465,1216 1.692,1217 1.682,1218 0.871,1219 1.685,1220 1.434,1221 1.379,1222 1.635,1223 1.606,1224 0.825,1225 1.631,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.483,1232 4.511,1233 5.814,1234 2.398,1235 7.306,1236 4.844,1237 8.885,1238 7.018,1239 10.513,1242 6.099,1247 5.923,1248 5.945,1249 5.38,1250 1.401,1251 -0.966,1252 3.899,1257 48.388,1258 125.737,1259 271.118,1260 365.769,1261 418.578,1262 430.842,1263 434.842,1264 100.075,1265 8.312,1266 90.98,1267 116.28,1268 29,1269 12.84,1270 4.392,1271 3.644,1272 66.255,1273 224,1274 262,1275 0.135,1276 301.591,1277 534.2,1278 727.641,1279 56404,1280 1.3,1281 28.606,1282 0.698,1283 0.597,1284 29.459,1285 24.463,1286 19.974,1287 0.444,1288 0.34,1289 13.926,1290 18.558,1291 13.555,1292 11.082,1293 20.671,1294 15.314,1295 17.65,1296 0.289,1297 0.197,1298 18.674,1299 11.996,1300 14.627,1301 0.185,1302 0.116,1303 15.79,1304 9.141,1305 11.982,1306 0.117,1307 0.067,1308 13.166,1309 6.793,1310 10.016,1311 0.078,1312 0.038,1313 11.116,1314 4.859,1315 0.217,1316 131.894,1317 0.181,1318 37.279,1319 0.357,1320 212,1321 615.962,1322 271.491,1323 636.168,1324 840.91,1325 596,1326 246,1327 550.127,1328 299.304,1329 576.547,1330 847.5,1331 544,1332 6.081}
{0 CHEMBL42586,1 1.781,2 16.636,3 4.1,4 16.809,5 175.589,6 8.497,7 0.354,8 4.475,9 4.576,10 4.263,11 4.074,12 5.489,13 4.014,14 5.07,15 5.224,16 4.607,17 4.498,18 6.214,19 4.408,20 5.358,21 5.554,22 4.679,23 4.666,24 6.373,25 4.538,26 5.411,27 5.615,28 4.754,29 4.663,30 6.458,31 4.517,32 5.414,33 5.642,34 4.626,35 4.603,36 6.508,37 4.457,38 5.367,39 5.582,40 4.746,41 4.598,42 6.434,43 4.451,44 5.379,45 5.574,46 4.741,47 4.542,48 6.679,49 4.45,50 5.304,51 5.488,52 4.723,53 4.528,54 6.593,55 4.412,56 0.136,57 1.169,58 17.411,59 8.102,60 21.43,61 9.568,62 0.689,63 1.972,64 38.607,65 14.509,66 78.153,67 17.106,68 0.9,69 2.411,70 60.454,71 20.444,72 106.234,73 23.838,74 1.006,75 2.5,76 74.445,77 21.78,78 129.272,79 25.463,80 1.227,81 2.486,82 63.855,83 21.311,84 145.803,85 26.197,86 0.893,87 2.349,88 75.374,89 22.389,90 117.734,91 25.105,92 1.323,93 2.282,94 67.522,95 19.727,96 205.693,97 21.538,98 1.431,99 2.146,100 66.179,101 19.141,102 181.586,103 20.758,104 37,105 67,106 0.27,107 0.568,108 0.762,109 0.861,110 0.883,111 0.891,112 3.81,113 1.123,114 -3.96,115 -3.91,116 -3.71,119 38.8,121 2,125 9,127 1,128 1,138 10,139 4,140 2,151 2,163 13,165 2,166 4,169 3,171 2,172 23,175 1,176 6,179 1,181 3,183 16,187 6,192 4,194 14,197 6,198 4,201 4,203 5,205 5,209 9,214 4,217 8,220 2,221 10,226 4,227 5,230 3,231 14,234 2,235 1,236 3,238 8,242 12,247 1,249 8,252 5152,253 29.482,254 29.482,255 29.482,256 29.482,257 29.482,258 26.793,259 29.163,260 17.456,261 30.438,262 23.693,263 23.693,264 23.693,265 23.693,266 23.693,267 19.482,268 30.58,269 8.281,270 25.306,271 4.541,272 2.576,273 1.299,274 0.644,275 0.5,276 0.45,277 4.51,279 2,283 1,284 1583,285 4.848,287 140.629,288 627.226,292 244.694,295 2.74,296 62.376,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.5,305 0.5,306 0.69,307 95.667,308 732,309 4.679,310 4.787,311 6.87,312 4.185,313 3.262,314 4.472,315 3.784,316 11.432,317 3.028,318 4.493,319 4.456,320 6.703,321 4.107,322 3.182,323 4.43,324 1.909,325 10.866,326 2.999,327 4.427,328 3.669,329 6.506,330 4.03,331 3.032,332 3.947,333 1.864,334 10.196,335 2.917,336 4.101,337 3.525,338 6.202,339 3.736,340 2.792,341 3.372,342 0.896,343 9.024,344 2.619,345 3.675,346 3.284,347 5.479,348 3.431,349 2.515,350 2.943,351 0.86,352 6.981,353 2.338,354 3.517,355 3.104,356 5.339,357 3.382,358 2.405,359 2.831,360 0.8,361 6.963,362 2.3,363 3.509,364 3.015,365 5.22,366 3.111,367 2.174,368 2.725,369 0.561,370 6.307,371 2.075,372 3.456,373 2.882,374 5.086,375 3.032,376 2.068,377 2.518,379 6.003,380 1.886,381 3.118,382 2.653,383 4.852,384 2.756,385 1.831,386 2.427,388 5.264,389 1.649,390 3.011,391 2.29,392 4.628,393 2.618,394 1.618,395 2.102,397 4.496,398 1.618,399 2.838,400 2.168,401 4.162,402 2.476,403 1.612,404 1.905,406 3.794,407 1.405,408 2.77,409 1.994,410 4.003,411 2.452,412 1.562,413 1.874,415 3.268,416 1.289,417 2.571,418 1.68,419 3.866,420 2.276,421 1.277,422 1.57,424 3.133,425 1.275,426 2.563,427 1.618,428 3.639,429 2.16,430 1.227,431 1.518,433 2.853,434 1.127,435 2.406,436 1.515,437 3.598,438 2.107,439 1.17,440 1.367,442 2.775,443 1.061,444 21.862,445 0.497,446 1.146,447 0.026,448 50.25,449 1.142,450 22,451 0.5,452 28.25,453 0.642,454 51.149,455 1.162,456 48.938,457 0.612,458 43.72,459 0.994,460 9.333,461 0.212,462 11.865,463 0.27,464 0.126,465 0.038,466 0.265,472 0.604,473 1.364,474 0.675,475 1.073,476 0.57,477 0.946,478 0.808,479 1.12,480 0.915,481 1.006,482 0.549,483 0.966,484 1.082,485 0.969,486 1.031,487 0.983,488 1.047,489 0.982,490 1.041,491 1.152,492 1.004,493 1.117,494 1.203,495 1.076,496 0.785,497 0.958,498 0.821,499 0.911,500 0.948,501 0.939,502 0.972,503 1.089,504 0.993,505 1.104,506 1.054,507 0.967,508 1.509,509 0.978,510 1.054,511 0.973,512 1.751,513 0.877,514 1.322,515 0.892,516 1.121,517 0.998,518 1.634,519 0.952,520 9,521 0.423,522 5.111,523 3.451,524 2.26,525 1.737,526 1.186,527 1.006,528 0.624,529 0.474,530 37015,531 108565,532 2.065,533 45,535 29,536 1,538 2,539 2,541 2,542 1.825,543 1.934,544 3.95,545 0.171,550 142.447,551 1.781,552 3.746,553 5.023,554 5.678,555 5.822,556 5.872,557 3.455,558 5.096,559 5.425,560 4.199,561 3972.08,562 9.628,563 77335.9,568 505.754,569 1.491,570 5.386,571 0.188,572 0.007,573 0.076,574 0.051,575 0.036,576 0.028,577 0.019,578 0.015,579 0.01,580 0.008,581 0.438,582 0.33,583 0.5,584 0.516,585 258.561,586 0.025,587 -0.147,588 0.099,589 -0.041,590 -0.062,591 0.017,592 0.058,593 0.044,594 -0.045,595 0.009,596 0.134,597 -0.02,598 -0.131,599 0.08,600 -0.072,601 0.031,602 -0.108,603 -0.004,604 -0.075,605 -0.129,606 0.008,607 -0.076,608 -0.105,609 -0.085,610 0.153,611 0.044,612 0.065,613 0.061,614 0.069,615 0.041,616 0.008,617 -0.079,618 0.098,619 -0.012,620 0.001,621 0.043,622 -0.108,623 0.032,624 0.004,625 0.046,626 -0.035,627 0.061,628 0.029,629 0.135,630 -0.014,631 0.052,632 -0.027,633 -0.002,634 4.446,635 6.618,636 0.614,637 67.24,638 1.011,639 1.123,640 2.726,641 7.433,642 0.691,643 3.892,644 4.22,645 4.454,646 4.7,647 4.898,648 4.956,649 5.063,650 5.147,651 5.236,652 5.231,653 9.813,654 0.646,655 679.75,656 3.892,657 5.442,658 6.282,659 7.16,660 8.017,661 8.901,662 9.767,663 10.654,664 11.528,665 12.418,666 5,668 1,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 80,705 21,706 3,707 48,709 84,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 18,730 13,733 4,736 1,737 4,741 2,747 36,748 9,749 2,750 13,751 4,755 4,760 0.8,761 5,775 1,776 4,780 1,783 1,784 1,792 1,795 1,796 4,797 1,799 2,802 2,805 44,808 1,810 11,811 2,812 1,813 1,814 2,815 2,824 2,825 6.3,828 4,829 1,832 22.75,833 13.852,834 9.611,835 4.796,836 2.752,837 1.326,838 0.974,839 11.741,840 11.185,841 4.119,842 4.682,843 5.122,844 5.615,845 6.107,846 6.278,847 6.556,848 6.845,849 7.129,850 6.902,851 1,852 68,853 16.71,854 7.494,855 7.863,856 31.476,857 26.626,859 2.363,860 103.972,864 400.217,865 188.505,866 40.664,867 78.297,868 105.603,870 38.027,871 150.478,872 584.117,873 40.664,875 48.923,876 116.975,877 115.012,878 21.643,879 11.771,880 420.666,881 78.297,882 400.217,883 191.142,884 105.603,885 116.324,887 376.675,888 118.145,889 11,891 68.452,892 122.69,893 84.105,894 32.22,895 400.217,896 146.267,897 266.802,899 5.807,900 400.217,901 87.935,902 101.011,903 34.416,904 183.9,905 400.217,906 146.267,907 266.802,909 0.582,910 0.331,911 0.176,912 0.095,913 30,914 14,915 0.155,916 13,917 1,918 1.074,919 5.326,920 441.375,921 0.074,922 27,923 232.215,924 1,927 1,928 33.328,929 15.5,930 9.04,931 2.153,932 146.267,933 19.012,938 2.541,940 34.416,941 813.287,942 60.5,945 -3.53,946 52.051,950 -0.481,952 80.865,953 89.827,954 0.282,955 0.593,956 0.794,957 0.898,958 0.921,959 0.929,960 5.376,961 2.068,962 6.282,963 6.307,964 4.905,965 5.371,966 3.808,967 7.101,968 4.781,969 6.576,970 1.831,971 7.85,972 6.003,973 4.575,974 5.373,975 2.668,976 8.167,977 4.358,978 7.9,979 1.618,980 9.525,981 5.264,982 6.538,983 7.584,984 6.04,985 11.198,986 6.303,987 9.262,988 1.612,989 11.265,990 4.496,991 7.031,992 8.422,993 5.115,994 13.09,995 6.704,996 10.662,997 1.562,998 13.048,999 3.794,1000 8.483,1001 10.174,1002 8.596,1003 15.685,1004 8.131,1005 12.087,1006 1.277,1007 14.86,1008 3.268,1009 9.342,1010 11.368,1011 7.878,1012 17.884,1013 8.904,1014 13.532,1015 1.227,1016 16.693,1017 3.133,1018 10.602,1019 12.958,1020 11.21,1021 20.348,1022 10.127,1023 3.262,1024 1.17,1025 18.54,1026 2.853,1027 11.625,1028 14.309,1029 10.71,1030 22.666,1031 11.07,1032 3.182,1033 11.432,1034 20.4,1035 2.775,1036 12.813,1037 15.836,1038 13.838,1039 25.088,1040 12.209,1041 3.032,1042 10.866,1043 22.268,1044 4.472,1045 13.908,1046 17.257,1047 13.529,1048 27.455,1049 13.231,1050 2.792,1051 10.196,1052 24.143,1053 4.43,1054 15.071,1055 18.759,1056 16.469,1057 29.864,1058 14.338,1059 2.515,1060 9.024,1061 26.024,1062 3.947,1063 16.2,1064 20.213,1065 16.321,1066 32.253,1067 15.396,1068 2.405,1069 6.981,1070 27.91,1071 3.372,1072 17.356,1073 21.705,1074 19.103,1075 34.661,1076 16.492,1077 2.174,1078 6.963,1079 29.8,1080 2.943,1081 18.5,1082 23.177,1083 19.093,1084 37.061,1085 17.568,1086 34769,1087 59843,1088 31.898,1089 55.25,1090 71.357,1091 77.218,1092 73.06,1093 71.522,1094 71.124,1095 88.57,1096 21.347,1097 203.961,1098 66.471,1099 5.679,1100 6.787,1101 6.672,1102 5.326,1103 5.262,1104 7.472,1105 7.434,1106 18.946,1107 5.028,1108 22.466,1109 1.487,1110 1.609,1111 1.522,1112 1.49,1113 1.482,1114 1.845,1115 0.445,1116 4.249,1117 1.385,1118 4.101,1119 4.123,1120 4.721,1121 4.06,1122 7.716,1123 4.052,1124 4.019,1125 4.022,1126 4.166,1127 3.974,1128 7.432,1129 3.913,1130 3.946,1131 3.946,1132 4.039,1133 3.914,1134 7.423,1135 3.824,1136 3.788,1137 3.837,1138 3.955,1139 3.669,1140 6.999,1141 3.645,1142 3.761,1143 3.782,1144 3.682,1145 3.572,1146 5.015,1147 3.575,1148 3.575,1149 3.627,1150 3.584,1151 3.432,1152 4.896,1153 3.427,1154 3.459,1155 3.511,1156 3.504,1157 3.309,1158 4.629,1159 3.314,1160 3.37,1161 3.427,1162 3.35,1163 3.194,1164 4.626,1165 3.178,1166 0.097,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.679,1172 0.093,1173 4.787,1174 0.079,1175 6.87,1176 0.238,1177 4.185,1178 0.063,1179 3.262,1180 4.472,1181 3.784,1182 11.432,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.345,1189 2.147,1190 1.898,1191 1.884,1192 1.979,1193 2.016,1194 1.325,1195 2.046,1196 1.835,1197 1.838,1198 1.948,1199 1.966,1200 1.203,1201 1.974,1202 1.698,1203 1.651,1204 1.829,1205 1.905,1206 1.16,1207 1.931,1208 1.649,1209 1.619,1210 1.789,1211 1.843,1212 1.113,1213 1.839,1214 1.524,1215 1.476,1216 1.748,1217 1.727,1218 1.018,1219 1.74,1220 1.485,1221 1.433,1222 1.678,1223 1.617,1224 0.826,1225 1.644,1226 1.282,1227 1.235,1228 1.513,1229 1.519,1230 0.825,1231 1.53,1232 4.575,1233 5.9,1234 2.398,1235 7.409,1236 4.844,1237 9.003,1238 7.018,1239 10.641,1242 12.653,1247 4.642,1248 5.606,1249 5.341,1250 1.335,1251 -1.14,1252 3.788,1257 51.644,1258 142.447,1259 299.667,1260 401.806,1261 454.244,1262 465.754,1263 469.754,1264 129.2,1265 8.433,1266 108.05,1267 141.73,1268 29,1269 12.95,1270 4.459,1271 3.755,1272 73.865,1273 248,1274 298,1275 0.134,1276 327.978,1277 579.35,1278 792.027,1279 65351,1280 2.5,1281 31.106,1282 0.707,1283 0.622,1284 32.709,1285 27.359,1286 21.198,1287 0.442,1288 0.374,1289 14.712,1290 18.657,1291 14.155,1292 11.527,1293 23.037,1294 17.968,1295 19.512,1296 0.291,1297 0.222,1298 22.239,1299 14.872,1300 15.632,1301 0.184,1302 0.132,1303 17.939,1304 11.251,1305 12.933,1306 0.119,1307 0.079,1308 15.423,1309 8.623,1310 10.144,1311 0.076,1312 0.045,1313 11.933,1314 5.94,1315 0.216,1316 151.344,1317 0.177,1318 39.359,1319 0.356,1320 230,1321 704.761,1322 340.31,1323 768.709,1324 1001.44,1325 712,1326 267,1327 616.518,1328 373.52,1329 683.979,1330 1001.31,1331 643,1332 4.62}
{0 CHEMBL42600,1 1.708,2 15.175,3 4.26,4 18.143,5 160.809,6 7.996,7 0.279,8 4.408,9 4.525,10 4.054,11 3.965,12 5.44,13 3.913,14 4.997,15 5.176,16 4.458,17 4.386,18 6.002,19 4.299,20 5.259,21 5.456,22 4.561,23 4.563,24 6.263,25 4.442,26 5.354,27 5.571,28 4.643,29 4.584,30 6.365,31 4.432,32 5.373,33 5.628,34 4.519,35 4.494,36 6.47,37 4.364,38 5.285,39 5.514,40 4.525,41 4.445,42 6.389,43 4.331,44 5.235,45 5.443,46 4.507,47 4.407,48 6.434,49 4.317,50 5.188,51 5.377,52 4.529,53 4.412,54 6.468,55 4.303,56 0.057,57 1.083,58 15.53,59 7.366,60 9.229,61 9.427,62 0.493,63 1.795,64 36.155,65 12.875,66 40.399,67 16.548,68 0.721,69 2.15,70 52.056,71 17.594,72 75.408,73 22.028,74 0.771,75 2.295,76 67.762,77 19.864,78 90.373,79 24.907,80 0.991,81 2.256,82 61.59,83 19.114,84 141.641,85 25.336,86 0.867,87 2.026,88 61.81,89 17.461,90 105.157,91 21.96,92 0.94,93 1.929,94 52.937,95 15.739,96 120.293,97 19.358,98 1.005,99 1.859,100 53.64,101 16.381,102 154.339,103 19.716,104 50,105 59,106 0.264,107 0.549,108 0.775,109 0.861,110 0.883,111 0.883,112 3.717,113 1.062,114 -4.13,115 -4.08,116 -3.86,119 38.2,120 2,121 2,125 8,127 1,128 1,138 6,139 4,140 2,151 3,163 10,165 1,166 4,169 2,171 3,172 19,175 2,176 4,179 1,181 2,183 12,187 7,190 1,192 4,194 10,197 3,198 7,201 3,203 4,205 3,208 1,209 10,214 3,217 8,220 1,221 9,224 1,226 4,227 6,230 1,231 8,234 2,235 1,236 3,238 7,241 2,242 9,247 1,249 8,252 4022,253 26.62,254 26.62,255 26.62,256 26.62,257 26.62,258 24.544,259 32.391,260 15.827,261 27.434,262 21.184,263 21.184,264 21.184,265 21.184,266 21.184,267 18.001,268 35.587,269 7.544,270 22.558,271 4.539,272 2.699,273 1.244,274 0.688,275 0.546,276 0.546,277 4.407,279 2,283 1,284 1286,285 4.416,287 130.381,288 474.47,295 2.551,296 51.606,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 86.667,308 607,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.979,315 3.784,316 11.459,317 3.009,318 4.317,319 3.669,320 6.336,321 3.948,322 2.95,323 3.947,324 1.963,325 9.399,326 2.944,327 4.108,328 3.615,329 6.204,330 3.739,331 2.795,332 3.387,333 1.909,334 9.036,335 2.62,336 3.698,337 3.514,338 5.51,339 3.452,340 2.525,341 2.878,342 1.859,343 7.118,344 2.403,345 3.594,346 3.259,347 5.34,348 3.42,349 2.445,350 2.812,351 0.901,352 6.965,353 2.309,354 3.516,355 3.158,356 5.138,357 3.267,358 2.281,359 2.726,360 0.86,361 6.215,362 2.238,363 3.488,364 3.001,365 5.075,366 3.074,367 2.157,368 2.522,369 0.8,370 5.992,371 1.957,372 3.281,373 2.885,374 4.953,375 2.943,376 1.952,377 2.517,378 0.561,379 5.575,380 1.872,381 2.979,382 2.649,383 4.799,384 2.646,385 1.739,386 2.088,387 0.215,388 5.019,389 1.549,390 2.867,391 2.299,392 4.587,393 2.518,394 1.614,395 2.029,397 4.4,398 1.434,399 2.74,400 2.176,401 3.999,402 2.414,403 1.526,404 1.753,406 3.308,407 1.414,408 2.611,409 1.819,410 3.878,411 2.408,412 1.414,413 1.605,415 3.184,416 1.271,417 2.562,418 1.68,419 3.715,420 2.178,421 1.261,422 1.515,424 3.125,425 1.138,426 2.311,427 1.678,428 3.476,429 2.113,430 1.174,431 1.295,433 2.704,434 1.061,435 2,436 1.536,437 3.308,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.695,445 0.492,446 1.035,447 0.026,448 42.25,449 1.056,450 16.5,451 0.413,452 25.75,453 0.644,454 48.38,455 1.21,456 45.105,457 0.593,458 35.643,459 0.891,460 8.11,461 0.203,462 11.113,463 0.278,464 0.174,466 0.32,472 0.688,473 1.404,474 0.652,475 1.013,476 0.53,477 0.986,478 0.855,479 1.103,480 0.825,481 0.932,482 0.566,483 0.914,484 1.055,485 1.036,486 1.005,487 1.012,488 1.063,489 1.032,490 0.934,491 1.18,492 0.945,493 1.138,494 1.118,495 1.11,496 0.72,497 0.963,498 0.703,499 0.879,500 0.799,501 0.826,502 1.141,503 0.978,504 0.916,505 0.938,506 1.296,507 0.891,508 1.467,509 0.919,510 0.958,511 0.877,512 1.796,513 0.887,514 1.216,515 1.079,516 1.103,517 1.102,518 1.576,519 1.034,520 8,521 0.361,522 4.667,523 3.201,524 2.353,525 1.616,526 0.992,527 0.805,528 0.497,529 0.432,530 27188,531 75941,532 2.021,533 47.4,534 6,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.832,545 0.174,550 129.844,551 1.708,552 3.549,553 5.004,554 5.56,555 5.702,556 5.702,557 3.354,558 5.122,559 5.285,560 4.082,561 3183.76,562 9.355,563 57540.2,568 474.842,569 1.467,570 5.242,571 0.186,572 0.007,573 0.079,574 0.052,575 0.042,576 0.028,577 0.018,578 0.014,579 0.009,580 0.008,581 0.444,582 0.33,583 0.75,584 0.573,585 228.124,586 -0.035,587 -0.157,588 0.034,589 -0.02,590 -0.017,591 0.001,592 -0.001,593 0.07,594 0.029,595 0.083,596 0.035,597 0.053,598 -0.085,599 0.042,600 -0.058,601 0.008,602 -0.101,603 -0.053,604 -0.013,605 -0.145,606 0.051,607 -0.093,608 -0.065,609 -0.116,610 0.204,611 0.015,612 0.172,613 0.087,614 0.23,615 0.15,616 -0.02,617 0.015,618 0.076,619 0.043,620 -0.008,621 0.073,622 -0.119,623 0.093,624 0.006,625 0.076,626 -0.103,627 0.044,628 0.079,629 -0.064,630 -0.02,631 -0.056,632 0.092,633 -0.064,634 1.968,635 6.505,636 0.575,637 59.633,638 1.006,639 1.128,640 2.904,641 8.432,642 0.673,643 3.784,644 4.094,645 4.331,646 4.554,647 4.745,648 4.787,649 4.868,650 4.934,651 5.024,652 5.05,653 9.096,654 0.628,655 607.66,656 3.784,657 5.323,658 6.159,659 7.026,660 7.882,661 8.756,662 9.624,663 10.505,664 11.381,665 12.266,666 5.3,669 1,673 3,681 6,686 6,688 12,702 2,703 76,705 15,706 2,707 43,709 79,710 29,711 12,712 6,713 6,717 4,718 4,719 2,721 2,724 1,727 3,729 15,730 14,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 2,802 2,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.936,834 8.861,835 4.595,836 1.628,837 1.205,838 0.947,839 11.595,840 9.577,841 3.97,842 4.466,843 4.883,844 5.292,845 5.721,846 5.769,847 5.865,848 6.078,849 6.308,850 6.343,851 1,852 61,853 14.991,854 6.424,855 7.806,856 28.598,857 23.571,859 2.306,860 92.222,864 400.217,865 167.473,866 42.27,867 78.297,868 86.435,870 32.22,871 135.253,872 564.949,873 42.27,874 17.65,875 66.034,876 56.857,877 100.549,878 22.868,879 11.771,880 420.666,881 78.297,882 400.217,883 177.524,884 86.435,885 110.517,887 376.675,888 98.977,889 11,891 86.809,892 90.715,893 78.297,894 32.22,895 400.217,896 128.705,897 245.77,900 400.217,901 92.965,902 80.757,903 36.022,904 164.732,905 400.217,906 128.705,907 245.77,909 0.58,910 0.334,911 0.174,912 0.095,913 25,914 13,915 0.139,916 11,918 1,919 4.966,920 380.541,922 23,923 206.877,924 1,928 31.138,929 14.896,930 8.606,932 128.705,933 11.084,938 4.905,940 36.022,941 774.693,942 52,946 39.256,950 -0.723,952 76.461,953 85.697,954 0.273,955 0.568,956 0.801,957 0.89,958 0.913,959 0.913,960 5.226,961 1.952,962 6.142,963 5.992,964 4.779,965 5.153,966 3.944,967 6.932,968 4.661,969 6.393,970 1.739,971 7.694,972 5.575,973 4.369,974 4.956,975 2.909,976 7.806,977 4.189,978 7.68,979 1.614,980 9.347,981 5.019,982 6.354,983 7.178,984 6.086,985 10.917,986 6.14,987 8.996,988 1.526,989 11.061,990 4.4,991 6.758,992 7.774,993 5.238,994 12.654,995 6.484,996 10.345,997 1.414,998 12.814,999 3.308,1000 8.221,1001 9.524,1002 8.608,1003 15.302,1004 7.909,1005 11.716,1006 1.261,1007 14.597,1008 3.184,1009 9.011,1010 10.485,1011 7.914,1012 17.416,1013 8.633,1014 13.105,1015 1.174,1016 16.402,1017 3.125,1018 10.27,1019 12.05,1020 11.213,1021 19.908,1022 9.848,1023 3.266,1024 1,1025 18.224,1026 2.704,1027 11.247,1028 13.196,1029 10.72,1030 22.192,1031 10.756,1032 2.95,1033 11.459,1034 20.061,1035 2.136,1036 12.428,1037 14.674,1038 13.839,1039 24.633,1040 11.885,1041 2.795,1042 9.399,1043 21.91,1044 3.979,1045 13.497,1046 15.919,1047 13.531,1048 26.994,1049 12.882,1050 2.525,1051 9.036,1052 23.769,1053 3.947,1054 14.653,1055 17.352,1056 16.47,1057 29.42,1058 13.978,1059 2.445,1060 7.118,1061 25.637,1062 3.387,1063 15.766,1064 18.652,1065 16.323,1066 31.817,1067 15.019,1068 2.281,1069 6.965,1070 27.511,1071 2.878,1072 16.918,1073 20.06,1074 19.103,1075 34.242,1076 16.105,1077 2.157,1078 6.215,1079 29.391,1080 2.812,1081 18.055,1082 21.392,1083 19.094,1084 36.657,1085 17.168,1086 26114,1087 43954,1088 28.145,1089 51.148,1090 63.774,1091 68.511,1092 65.846,1093 63.715,1094 63.328,1095 75.554,1096 25.703,1097 178.605,1098 59.294,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.979,1105 7.434,1106 18.973,1107 5.009,1108 23.058,1109 1.483,1110 1.593,1111 1.531,1112 1.482,1113 1.473,1114 1.757,1115 0.598,1116 4.154,1117 1.379,1118 4.007,1119 4.035,1120 4.167,1121 3.947,1122 7.435,1123 3.932,1124 3.944,1125 3.968,1126 3.962,1127 3.898,1128 7.427,1129 3.886,1130 3.829,1131 3.89,1132 3.896,1133 3.675,1134 7.422,1135 3.663,1136 3.766,1137 3.793,1138 3.707,1139 3.616,1140 5.014,1141 3.619,1142 3.635,1143 3.689,1144 3.583,1145 3.414,1146 4.735,1147 3.432,1148 3.503,1149 3.56,1150 3.549,1151 3.296,1152 4.629,1153 3.305,1154 3.337,1155 3.389,1156 3.449,1157 3.157,1158 4.626,1159 3.151,1160 3.2,1161 3.267,1162 3.242,1163 3.055,1164 4.234,1165 3.037,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.093,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.979,1181 3.784,1182 11.459,1183 3.009,1184 1.958,1185 1.932,1186 2.08,1187 2.041,1188 1.299,1189 2.056,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.253,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.176,1201 1.97,1202 1.652,1203 1.619,1204 1.825,1205 1.864,1206 1.105,1207 1.854,1208 1.582,1209 1.529,1210 1.785,1211 1.809,1212 1.086,1213 1.807,1214 1.439,1215 1.382,1216 1.65,1217 1.67,1218 0.869,1219 1.671,1220 1.32,1221 1.261,1222 1.59,1223 1.52,1224 0.825,1225 1.549,1226 1.213,1227 1.138,1228 1.554,1229 1.418,1230 0.774,1231 1.47,1232 4.466,1233 5.778,1234 2.398,1235 7.27,1236 4.844,1237 8.848,1238 7.018,1239 10.474,1241 4.06,1242 12.609,1247 5.757,1248 5.883,1249 5.373,1250 1.334,1251 -1.141,1252 3.824,1257 47.742,1258 129.844,1259 269.707,1260 380.313,1261 422.578,1262 433.333,1263 433.333,1264 118.42,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.801,1270 4,1271 3.322,1272 73.023,1273 207,1274 252,1275 0.16,1276 303.987,1277 543.35,1278 733.488,1279 33867,1280 2.6,1281 28.648,1282 0.716,1283 0.63,1284 30.001,1285 25.21,1286 19.223,1287 0.447,1288 0.354,1289 13.484,1290 17.514,1291 12.972,1292 10.637,1293 20.209,1294 15.22,1295 17.317,1296 0.294,1297 0.207,1298 18.712,1299 12.238,1300 14.161,1301 0.189,1302 0.125,1303 15.615,1304 9.343,1305 11.213,1306 0.119,1307 0.073,1308 13.049,1309 6.895,1310 8.768,1311 0.077,1312 0.041,1313 10.089,1314 4.635,1315 0.255,1316 130.563,1317 0.188,1318 36.425,1319 0.428,1320 204,1321 616.165,1322 279.01,1323 663.1,1324 859.54,1325 618,1326 236,1327 534.99,1328 301.014,1329 570.835,1330 837.42,1331 536,1332 6.357}
{0 CHEMBL42722,1 1.913,2 13.917,3 2.277,4 5.187,5 142.518,6 9.089,7 0.282,8 4.25,9 4.354,10 4.035,11 3.825,12 5.329,13 3.775,14 4.831,15 4.989,16 4.45,17 4.237,18 5.905,19 4.153,20 5.078,21 5.273,22 4.455,23 4.356,24 6.125,25 4.235,26 5.113,27 5.318,28 4.603,29 4.372,30 6.21,31 4.239,32 5.105,33 5.318,34 4.471,35 4.314,36 6.336,37 4.211,38 5.091,39 5.291,40 4.527,41 4.319,42 6.251,43 4.201,44 5.068,45 5.273,46 4.508,47 4.266,48 6.297,49 4.178,50 4.981,51 5.152,52 4.428,53 4.209,54 6.349,55 4.123,56 0.142,57 0.956,58 10.414,59 6.003,60 12.772,61 6.906,62 0.613,63 1.589,64 29.125,65 10.695,66 41.937,67 12.282,68 0.927,69 1.787,70 45.39,71 14.807,72 87.228,73 16.699,74 0.955,75 1.812,76 56.514,77 16.05,78 97.734,79 18.257,80 1.031,81 1.793,82 48.032,83 15.458,84 135.103,85 18.278,86 0.988,87 1.736,88 53.007,89 15.27,90 107.763,91 16.97,92 1.073,93 1.686,94 46.138,95 13.907,96 113.629,97 15.813,98 1.058,99 1.529,100 43.971,101 13.404,102 143.173,103 14.705,104 26,105 53,106 0.308,107 0.634,108 0.825,109 0.885,110 0.885,111 0.885,112 3.615,113 1.089,114 -3.37,115 -3.35,116 -3.21,119 36.5,121 2,125 7,127 1,128 1,138 3,139 1,140 2,141 1,147 1,151 3,155 1,163 2,165 1,166 5,169 3,171 3,172 9,175 2,176 4,179 1,183 4,186 1,187 8,190 1,192 1,194 8,197 3,198 5,201 3,203 2,205 1,208 1,209 8,214 3,217 5,220 3,221 7,224 1,226 4,227 2,230 1,231 5,234 2,235 1,236 3,238 4,241 2,242 4,247 1,249 4,252 3044,253 24.206,254 24.206,255 24.206,256 24.206,257 24.206,258 22.365,259 30.45,260 14.593,261 25.319,262 19.282,263 19.282,264 19.282,265 19.282,266 19.282,267 16.443,268 35.809,269 7.016,270 21.158,271 4.064,272 2.037,273 0.849,274 0.476,275 0.476,276 0.476,277 4.306,279 2,283 1,284 1073,285 4.183,287 239.524,288 274.123,295 2.093,296 51.458,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 1,306 0.78,307 79.167,308 501,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.113,319 3.672,320 6.205,321 3.745,322 2.801,323 3.513,324 1.963,325 9.04,326 2.625,327 3.972,328 3.616,329 5.565,330 3.536,331 2.629,332 3.38,333 1.907,334 7.509,335 2.432,336 3.656,337 3.52,338 5.407,339 3.442,340 2.524,341 2.841,342 1.859,343 6.967,344 2.319,345 3.551,346 3.259,347 5.34,348 3.341,349 2.376,350 2.812,351 0.901,352 6.885,353 2.27,354 3.516,355 3.003,356 5.128,357 3.145,358 2.23,359 2.674,360 0.86,361 6.215,362 1.981,363 3.457,364 2.885,365 4.919,366 3.012,367 2.072,368 2.519,369 0.8,370 5.637,371 1.858,372 2.979,373 2.65,374 4.749,375 2.637,376 1.733,377 2.088,378 0.215,379 4.907,380 1.543,381 2.746,382 2.555,383 4.556,384 2.518,385 1.614,386 1.768,387 0.149,388 4.376,389 1.43,390 2.616,391 2.176,392 3.998,393 2.406,394 1.524,395 1.614,397 3.308,398 1.271,399 2.58,400 1.819,401 3.715,402 2.18,403 1.263,404 1.572,406 3.125,407 1.139,408 2.533,409 1.68,410 3.481,411 2.117,412 1.175,413 1.492,415 2.707,416 1.071,417 2.31,418 1.678,419 3.398,420 2.043,421 1.126,422 1.293,424 2.492,425 1.009,426 2.118,427 1.318,428 3.247,429 1.952,430 1,431 1,433 2.136,434 0.946,435 2,436 1.256,437 3.155,438 1.436,439 0.618,440 0.927,442 1.372,443 0.486,444 17.929,445 0.498,446 0.856,447 0.024,448 39.25,449 1.09,450 15,451 0.417,452 24.25,453 0.674,454 40.657,455 1.129,456 40.271,457 0.639,458 30.966,459 0.86,460 7.298,461 0.203,462 10.104,463 0.281,464 0.135,466 0.296,472 0.718,473 1.417,474 0.617,475 0.923,476 0.519,477 0.912,478 0.861,479 1.171,480 0.847,481 0.977,482 0.575,483 0.936,484 1.113,485 0.953,486 1,487 0.937,488 1.094,489 0.984,490 0.921,491 1,492 0.851,493 0.981,494 1.103,495 0.975,496 0.784,497 0.972,498 0.754,499 0.911,500 0.888,501 0.857,502 1.114,503 1.019,504 0.855,505 0.902,506 1.28,507 0.969,508 1.15,509 0.86,510 0.832,511 0.816,512 1.367,513 0.816,514 1.141,515 1.103,516 1.073,517 1.094,518 1.399,519 1.05,520 7,521 0.239,522 3.333,523 2.861,524 1.854,525 1.519,526 0.854,527 0.774,528 0.412,529 0.368,530 20369,531 67572,532 2.056,533 42.9,535 18,536 2,537 1,538 2,539 2,541 2,542 1.778,543 1.929,544 3.726,545 0.286,550 120.535,551 1.913,552 3.941,553 5.128,554 5.501,555 5.501,556 5.501,557 3.226,558 4.837,559 5.132,560 3.941,561 2482.56,562 9.052,563 40987.6,568 376.569,569 1.389,570 5.102,571 0.179,572 0.005,573 0.063,574 0.056,575 0.036,576 0.028,577 0.017,578 0.015,579 0.008,580 0.009,581 0.418,582 0.33,583 0.75,584 0.539,585 198.056,586 -0.067,587 -0.205,588 0.033,589 -0.007,590 -0.006,591 -0.001,592 -0.019,593 -0.01,594 -0.007,595 0.014,596 0.03,597 -0.008,598 -0.136,599 0.067,600 -0.075,601 0.034,602 -0.116,603 -0.021,604 0.012,605 -0.014,606 0.124,607 0.02,608 -0.027,609 0.021,610 0.17,612 0.108,613 0.051,614 0.224,615 0.128,616 -0.067,617 -0.055,618 0.07,619 0.036,620 -0.072,621 -0.002,622 -0.019,623 0.115,624 0.089,625 0.113,626 -0.033,627 0.132,628 0.055,629 -0.128,630 -0.076,631 -0.126,632 0.107,633 -0.099,634 1.99,635 6.322,636 0.611,637 48.728,638 1.019,639 1.128,640 2.138,641 4.572,642 0.698,643 3.689,644 3.989,645 4.22,646 4.477,647 4.625,648 4.7,649 4.812,650 4.883,651 4.977,652 5.004,653 8.27,654 0.656,655 572.59,656 3.689,657 5.22,658 6.052,659 6.919,660 7.772,661 8.648,662 9.514,663 10.398,664 11.274,665 12.163,666 7.9,669 1,673 3,676 1,681 5,682 1,685 1,686 4,688 11,702 2,703 63,705 14,706 1,707 39,709 66,710 23,711 9,712 3,713 3,717 4,718 4,719 2,724 1,727 3,729 12,730 11,733 3,737 3,741 3,747 27,748 9,749 2,750 13,751 4,755 5,760 1,761 4,775 2,776 2,783 2,784 1,792 1,795 1,796 4,797 1,799 2,802 2,805 36,810 9,811 2,812 1,813 1,814 2,815 2,819 1,824 2,825 6.3,828 3,829 1,832 18.667,833 10.969,834 7.972,835 3.719,836 1.371,837 1.178,838 0.952,839 10.42,840 9.074,841 3.882,842 4.353,843 4.75,844 5.19,845 5.47,846 5.593,847 5.775,848 5.977,849 6.21,850 6.318,851 1,852 51,853 13.475,854 5.839,855 7.895,856 25.427,857 20.971,859 2.395,860 86.222,864 294.278,865 158.206,866 59.056,867 78.297,868 86.435,870 63.497,871 94.709,872 459.01,873 59.056,875 63.928,876 36.078,877 129.105,878 22.859,879 23.542,880 322.461,881 78.297,882 294.278,883 153.765,884 86.435,885 141.795,887 270.735,888 98.977,889 11,891 76.601,892 60.379,893 95.083,894 63.497,895 294.278,896 145.49,897 236.504,900 294.278,901 113.081,902 51.374,903 36.022,904 181.517,905 294.278,906 145.49,907 236.504,909 0.575,910 0.326,911 0.178,912 0.093,913 23,914 11,915 0.152,916 10,918 1,919 4.702,920 331.4,922 22,923 182.117,924 2,928 27.766,929 13.51,930 7.872,932 145.49,933 8.4,934 4.044,937 1.301,938 2.016,940 36.022,941 676.271,942 47.5,946 38.623,950 -0.853,952 64.222,953 71.04,954 0.32,955 0.659,956 0.858,957 0.92,958 0.92,959 0.92,960 5.128,961 1.733,962 6.023,963 5.637,964 4.673,965 5.04,966 3.934,967 6.801,968 4.499,969 6.281,970 1.614,971 7.56,972 4.907,973 4.205,974 4.745,975 2.909,976 7.633,977 3.939,978 7.554,979 1.524,980 9.197,981 4.376,982 6.229,983 7.014,984 6.085,985 10.758,986 5.908,987 8.856,988 1.263,989 10.896,990 3.308,991 6.594,992 7.539,993 5.238,994 12.486,995 6.18,996 10.192,997 1.175,998 12.638,999 3.125,1000 8.074,1001 9.286,1002 8.608,1003 15.14,1004 7.608,1005 11.55,1006 1.126,1007 14.411,1008 2.707,1009 8.842,1010 10.193,1011 7.914,1012 17.267,1013 8.279,1014 12.925,1015 1,1016 16.208,1017 2.492,1018 10.107,1019 11.731,1020 11.213,1021 19.77,1022 9.488,1023 3.266,1024 0.618,1025 18.026,1026 2.136,1027 11.075,1028 12.832,1029 10.72,1030 22.072,1031 10.36,1032 2.801,1033 11.459,1034 19.861,1035 1.372,1036 12.26,1037 14.276,1038 13.839,1039 24.525,1040 11.479,1041 2.629,1042 9.04,1043 21.709,1044 3.947,1045 13.329,1046 15.483,1047 13.531,1048 26.902,1049 12.454,1050 2.524,1051 7.509,1052 23.569,1053 3.513,1054 14.489,1055 16.883,1056 16.47,1057 29.341,1058 13.542,1059 2.376,1060 6.967,1061 25.44,1062 3.38,1063 15.608,1064 18.151,1065 16.323,1066 31.751,1067 14.57,1068 2.23,1069 6.885,1070 27.319,1071 2.841,1072 16.766,1073 19.53,1074 19.103,1075 34.186,1076 15.649,1077 2.072,1078 6.215,1079 29.205,1080 2.812,1081 17.91,1082 20.834,1083 19.094,1084 36.61,1085 16.706,1086 19430,1087 35691,1088 25.948,1089 43.994,1090 58.048,1091 61.771,1092 58.795,1093 57.641,1094 57.344,1095 68.484,1096 24.875,1097 159.723,1098 52.127,1099 5.432,1100 6.788,1101 6.677,1102 5.337,1103 5.266,1104 6.947,1105 7.434,1106 18.974,1107 5.009,1108 17.833,1109 1.488,1110 1.584,1111 1.508,1112 1.478,1113 1.47,1114 1.756,1115 0.638,1116 4.095,1117 1.337,1118 3.987,1119 4.01,1120 4.212,1121 3.935,1122 7.435,1123 3.913,1124 3.84,1125 3.892,1126 4.155,1127 3.794,1128 7.427,1129 3.726,1130 3.817,1131 3.853,1132 3.956,1133 3.665,1134 7.422,1135 3.643,1136 3.743,1137 3.772,1138 3.708,1139 3.616,1140 5.014,1141 3.612,1142 3.615,1143 3.665,1144 3.581,1145 3.409,1146 4.863,1147 3.421,1148 3.444,1149 3.493,1150 3.544,1151 3.249,1152 4.629,1153 3.256,1154 3.282,1155 3.313,1156 3.386,1157 3.09,1158 4.627,1159 3.088,1160 3.111,1161 3.206,1162 3.238,1163 2.941,1164 4.232,1165 2.91,1166 0.114,1167 0.123,1168 0.176,1169 0.107,1170 0.084,1171 4.432,1172 0.101,1173 4.788,1174 0.097,1175 6.875,1176 0.294,1177 4.19,1178 0.077,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.896,1185 1.882,1186 1.987,1187 2.003,1188 1.299,1189 2.002,1190 1.766,1191 1.701,1192 1.944,1193 1.961,1194 1.176,1195 1.97,1196 1.656,1197 1.625,1198 1.825,1199 1.867,1200 1.106,1201 1.856,1202 1.584,1203 1.531,1204 1.776,1205 1.814,1206 1.087,1207 1.808,1208 1.439,1209 1.385,1210 1.638,1211 1.669,1212 0.868,1213 1.668,1214 1.357,1215 1.338,1216 1.513,1217 1.531,1218 0.825,1219 1.528,1220 1.279,1221 1.244,1222 1.493,1223 1.43,1224 0.582,1225 1.449,1226 1.153,1227 1.09,1228 1.335,1229 1.376,1230 0.559,1231 1.429,1232 4.369,1233 5.673,1234 3.045,1235 7.149,1236 5.352,1237 8.709,1238 7.402,1239 10.32,1242 12.509,1247 5.291,1248 5.62,1249 5.353,1250 1.303,1251 -1.171,1252 3.786,1257 41.317,1258 120.535,1259 248.256,1260 323.059,1261 346.569,1262 346.569,1263 346.569,1264 99.411,1265 7.703,1266 103.87,1267 157.41,1268 22,1269 12.696,1270 3.907,1271 3.248,1272 61.906,1273 167,1274 212,1275 0.167,1276 267.286,1277 471.7,1278 643.937,1279 24102,1280 3.2,1281 25.493,1282 0.708,1283 0.628,1284 27.2,1285 22.597,1286 17.402,1287 0.446,1288 0.363,1289 11.602,1290 15.156,1291 11.194,1292 9.094,1293 18.842,1294 14.153,1295 15.598,1296 0.294,1297 0.215,1298 17.603,1299 11.382,1300 12.466,1301 0.186,1302 0.127,1303 14.536,1304 8.518,1305 10.408,1306 0.12,1307 0.076,1308 12.878,1309 6.626,1310 7.705,1311 0.076,1312 0.042,1313 9.297,1314 4.244,1315 0.265,1316 124.584,1317 0.196,1318 33.372,1319 0.452,1320 184,1321 616.671,1322 284.515,1323 678.418,1324 875.54,1325 632,1326 212,1327 530.418,1328 295.827,1329 574.843,1330 845.43,1331 540,1332 4.959}
{0 CHEMBL42757,1 1.678,2 15.171,3 4.969,4 24.689,5 165.642,6 8.182,7 0.378,8 4.402,9 4.516,10 4.074,11 4.008,12 5.439,13 3.953,14 4.981,15 5.149,16 4.485,17 4.444,18 5.996,19 4.351,20 5.277,21 5.486,22 4.564,23 4.592,24 6.261,25 4.462,26 5.311,27 5.529,28 4.665,29 4.57,30 6.344,31 4.433,32 5.275,33 5.495,34 4.546,35 4.497,36 6.442,37 4.384,38 5.277,39 5.5,40 4.536,41 4.47,42 6.39,43 4.353,44 5.228,45 5.44,46 4.521,47 4.424,48 6.423,49 4.334,50 5.171,51 5.352,52 4.548,53 4.426,54 6.471,55 4.322,56 0.037,57 1.068,58 14.399,59 7.109,60 8.555,61 9.076,62 0.36,63 1.838,64 32.915,65 12.802,66 34,67 16.379,68 0.574,69 2.236,70 52.567,71 18.377,72 74.465,73 22.943,74 0.733,75 2.264,76 65.713,77 19.339,78 89.71,79 23.532,80 0.789,81 2.206,82 52.457,83 17.813,84 127.378,85 22.697,86 0.746,87 2.114,88 60.048,89 17.929,90 101.607,91 21.997,92 0.779,93 2,94 52.02,95 16.171,96 113.051,97 19.394,98 0.914,99 1.89,100 51.471,101 16.373,102 149.904,103 19.152,104 26,105 62,106 0.258,107 0.546,108 0.733,109 0.85,110 0.884,111 0.893,112 3.741,113 1.048,114 -5.11,115 -5,116 -4.69,119 41.3,121 4,125 6,127 1,128 1,138 10,139 4,140 2,151 3,163 14,165 1,166 6,169 2,171 3,172 23,175 1,176 4,179 1,181 2,183 16,187 7,190 1,192 4,194 16,197 3,198 6,201 3,203 5,205 5,208 1,209 10,214 6,217 8,220 1,221 10,226 4,227 7,230 1,231 11,234 2,235 1,236 3,238 8,241 1,242 11,247 1,249 9,252 4092,253 27.775,254 27.775,255 27.775,256 27.775,257 27.775,258 25.269,259 29.9,260 16.584,261 28.43,262 22.231,263 22.231,264 22.231,265 22.231,266 22.231,267 18.362,268 33.263,269 7.913,270 23.383,271 4.551,272 2.677,273 1.463,274 0.707,275 0.48,276 0.427,277 4.443,279 2,283 1,284 1353,285 4.416,287 269.03,288 406.492,292 222.605,295 2.582,296 48.616,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.66,307 87.667,308 622,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.477,340 2.545,341 2.947,342 1.859,343 7.123,344 2.408,345 3.604,346 3.259,347 5.353,348 3.433,349 2.45,350 2.839,351 0.901,352 6.997,353 2.358,354 3.536,355 3.104,356 5.22,357 3.276,358 2.288,359 2.812,360 0.8,361 6.316,362 2.251,363 3.508,364 3.001,365 5.132,366 3.103,367 2.174,368 2.695,369 0.561,370 6.215,371 2.065,372 3.45,373 2.848,374 4.983,375 3.028,376 2.047,377 2.539,378 0.215,379 5.815,380 1.878,381 3.118,382 2.649,383 4.805,384 2.65,385 1.745,386 2.427,388 5.047,389 1.618,390 2.979,391 2.29,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.564,399 2.771,400 1.822,401 4.162,402 2.51,403 1.586,404 1.904,406 3.792,407 1.447,408 2.739,409 1.736,410 3.999,411 2.405,412 1.475,413 1.754,415 3.183,416 1.279,417 2.563,418 1.68,419 3.676,420 2.274,421 1.275,422 1.542,424 3.119,425 1.267,426 2.552,427 1.618,428 3.598,429 2.116,430 1.176,431 1.518,433 2.846,434 1.074,435 2.402,436 1.353,437 3.421,438 2.072,439 1.101,440 1.356,442 2.389,443 1.058,444 20.362,445 0.497,446 0.959,447 0.023,448 46.75,449 1.14,450 20.5,451 0.5,452 26.25,453 0.64,454 46.383,455 1.131,456 44.438,457 0.593,458 38.856,459 0.948,460 8.721,461 0.213,462 11.164,463 0.272,464 0.119,466 0.309,472 0.638,473 1.278,474 0.634,475 0.924,476 0.501,477 0.914,478 0.688,479 1.133,480 0.831,481 0.985,482 0.52,483 0.973,484 1.001,485 0.996,486 0.961,487 0.989,488 1.009,489 0.995,490 1.076,491 1.042,492 0.919,493 1.019,494 1.171,495 0.968,496 0.792,497 1.091,498 0.782,499 1.001,500 0.882,501 0.936,502 1.202,503 1.023,504 0.939,505 0.985,506 1.31,507 0.938,508 1.541,509 0.887,510 0.929,511 0.857,512 1.731,513 0.844,514 1.325,515 1.071,516 1.118,517 1.111,518 1.604,519 1.031,520 7.5,521 0.362,522 4.444,523 3.111,524 2.269,525 1.584,526 1.007,527 0.786,528 0.509,529 0.391,530 30383,531 80118,532 2.09,533 45.3,535 23,536 1,538 2,539 2,540 4,541 2,542 1.809,543 1.968,544 3.829,545 0.137,550 125.853,551 1.678,552 3.551,553 4.766,554 5.522,555 5.749,556 5.802,557 3.342,558 5.162,559 5.323,560 4.09,561 3353.45,562 9.427,563 61414.8,568 467.161,569 1.363,570 5.294,571 0.167,572 0.007,573 0.072,574 0.05,575 0.038,576 0.026,577 0.018,578 0.014,579 0.009,580 0.007,581 0.406,582 0.17,583 0.63,584 0.501,585 235.221,586 -0.032,587 -0.099,588 0.032,589 0.014,590 -0.005,591 0.023,592 0.051,593 0.025,594 -0.005,595 0.005,596 0.046,597 -0.025,598 -0.058,599 0.037,600 -0.018,601 0.015,602 -0.074,603 -0.017,604 -0.008,605 -0.026,606 0.112,607 0.023,608 -0.06,609 0.015,610 0.239,611 -0.072,612 0.101,613 -0.016,614 0.233,615 0.031,616 -0.001,617 -0.03,618 0.056,619 -0.002,620 -0.009,621 0.025,622 -0.108,623 0.115,624 0.04,625 0.097,626 -0.069,627 0.088,628 0.121,629 -0.07,630 -0.027,631 -0.075,632 0.11,633 -0.078,634 1.97,635 6.561,636 0.634,637 59.742,638 1.003,639 1.121,640 3.879,641 15.046,642 0.692,643 3.829,644 4.143,645 4.407,646 4.673,647 4.852,648 4.92,649 5.024,650 5.1,651 5.187,652 5.182,653 9.162,654 0.647,655 613.66,656 3.829,657 5.371,658 6.217,659 7.091,660 7.956,661 8.838,662 9.713,663 10.599,664 11.481,665 12.371,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 75,705 20,706 3,707 45,709 79,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 3,727 5,729 19,730 12,733 3,737 3,741 3,747 34,748 7,749 2,750 10,751 3,755 4,760 0.8,761 3,773 1,775 2,776 3,780 1,783 2,784 1,792 1,796 4,797 1,799 1,802 2,805 41,810 10,811 2,813 1,814 2,815 2,824 2,825 4,828 3,832 20.833,833 13.102,834 9.028,835 4.678,836 2.809,837 1.338,838 0.978,839 10.495,840 11.121,841 4.052,842 4.585,843 5.086,844 5.6,845 6.101,846 6.268,847 6.546,848 6.842,849 7.13,850 6.89,851 1,852 62,853 15.367,854 6.702,855 7.762,856 29.477,857 24.865,859 2.262,860 92.722,864 376.675,865 182.387,866 42.27,867 78.297,868 75.435,870 32.22,871 150.167,872 530.407,873 42.27,875 61.918,876 94.762,877 89.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 192.437,884 75.435,885 110.517,887 306.049,888 146.061,891 65.042,892 127.395,893 78.297,894 32.22,895 376.675,896 117.705,897 260.684,900 376.675,901 87.624,902 101.011,903 36.022,904 153.732,905 376.675,906 117.705,907 260.684,909 0.578,910 0.335,911 0.185,912 0.098,913 28,914 13,915 0.139,916 11,917 1,918 1.077,919 5.12,920 404.064,921 0.077,922 26,923 213.66,924 1,928 30.181,929 14.257,930 7.764,931 2.185,932 117.705,933 19.141,938 2.602,940 36.022,941 755.064,942 56.5,946 39.451,950 -0.701,952 75.251,953 84.073,954 0.269,955 0.57,956 0.765,957 0.887,958 0.923,959 0.932,960 5.3,961 2.047,962 6.192,963 6.215,964 4.828,965 5.273,966 3.915,967 6.991,968 4.73,969 6.473,970 1.745,971 7.742,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.763,979 1.618,980 9.394,981 5.047,982 6.405,983 7.379,984 6.084,985 10.998,986 6.219,987 9.086,988 1.586,989 11.108,990 4.404,991 6.792,992 7.999,993 5.238,994 12.762,995 6.526,996 10.444,997 1.475,998 12.865,999 3.792,1000 8.276,1001 9.833,1002 8.608,1003 15.409,1004 7.996,1005 11.826,1006 1.275,1007 14.652,1008 3.183,1009 9.064,1010 10.868,1011 7.914,1012 17.544,1013 8.707,1014 13.227,1015 1.176,1016 16.461,1017 3.119,1018 10.332,1019 12.5,1020 11.213,1021 20.033,1022 9.95,1023 3.266,1024 1.101,1025 18.289,1026 2.846,1027 11.312,1028 13.75,1029 10.72,1030 22.326,1031 10.858,1032 3.032,1033 11.459,1034 20.131,1035 2.389,1036 12.498,1037 15.292,1038 13.839,1039 24.762,1040 12.007,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.57,1046 16.651,1047 13.531,1048 27.124,1049 13.012,1050 2.545,1051 9.037,1052 23.848,1053 3.947,1054 14.729,1055 18.154,1056 16.47,1057 29.545,1058 14.124,1059 2.45,1060 7.123,1061 25.72,1062 3.387,1063 15.845,1064 19.57,1065 16.323,1066 31.937,1067 15.176,1068 2.288,1069 6.997,1070 27.598,1071 2.947,1072 16.997,1073 21.055,1074 19.103,1075 34.356,1076 16.276,1077 2.174,1078 6.316,1079 29.481,1080 2.839,1081 18.136,1082 22.501,1083 19.094,1084 36.765,1085 17.351,1086 28401,1087 46477,1088 30.224,1089 51.932,1090 66.888,1091 71.447,1092 68.35,1093 67.052,1094 66.633,1095 82.442,1096 23.983,1097 188.534,1098 63.145,1099 5.493,1100 6.788,1101 6.59,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 19.452,1109 1.486,1110 1.588,1111 1.519,1112 1.49,1113 1.481,1114 1.832,1115 0.533,1116 4.19,1117 1.403,1118 4.097,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.976,1125 4,1126 4.039,1127 3.928,1128 7.427,1129 3.907,1130 3.865,1131 3.931,1132 3.958,1133 3.703,1134 7.422,1135 3.701,1136 3.773,1137 3.801,1138 3.737,1139 3.668,1140 5.015,1141 3.65,1142 3.65,1143 3.707,1144 3.585,1145 3.453,1146 4.896,1147 3.462,1148 3.543,1149 3.598,1150 3.558,1151 3.421,1152 4.628,1153 3.41,1154 3.444,1155 3.492,1156 3.486,1157 3.284,1158 4.364,1159 3.291,1160 3.322,1161 3.37,1162 3.342,1163 3.151,1164 4.347,1165 3.146,1166 0.1,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.493,1172 0.098,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.19,1178 0.067,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.949,1193 1.969,1194 1.252,1195 1.976,1196 1.704,1197 1.643,1198 1.928,1199 1.918,1200 1.211,1201 1.928,1202 1.651,1203 1.61,1204 1.86,1205 1.849,1206 1.175,1207 1.841,1208 1.577,1209 1.507,1210 1.802,1211 1.762,1212 1.101,1213 1.793,1214 1.528,1215 1.479,1216 1.709,1217 1.751,1218 0.941,1219 1.749,1220 1.488,1221 1.444,1222 1.673,1223 1.631,1224 0.858,1225 1.649,1226 1.329,1227 1.253,1228 1.589,1229 1.569,1230 0.825,1231 1.582,1232 4.511,1233 5.826,1234 3.045,1235 7.322,1236 5.352,1237 8.907,1238 7.402,1239 10.545,1242 12.64,1247 7.339,1248 5.932,1250 1.341,1251 -1.138,1252 3.93,1257 48.501,1258 125.853,1259 266.351,1260 357.413,1261 414.142,1262 431.161,1263 435.161,1264 105.308,1265 8.312,1266 81.75,1267 107.05,1268 28,1269 12.902,1270 4.392,1271 3.644,1272 66.184,1273 218,1274 243,1275 0.139,1276 305.927,1277 540.62,1278 738.223,1279 55051,1280 2.7,1281 28.769,1282 0.702,1283 0.612,1284 30.123,1285 25.111,1286 19.885,1287 0.442,1288 0.349,1289 14.023,1290 18.321,1291 13.606,1292 11.143,1293 20.871,1294 15.72,1295 17.835,1296 0.288,1297 0.203,1298 19.23,1299 12.612,1300 14.759,1301 0.182,1302 0.119,1303 16.212,1304 9.601,1305 12.367,1306 0.117,1307 0.071,1308 14.202,1309 7.52,1310 9.561,1311 0.075,1312 0.039,1313 10.882,1314 4.922,1315 0.222,1316 133.534,1317 0.182,1318 37.111,1319 0.372,1320 214,1321 602.43,1322 286.132,1323 661.049,1324 867.76,1325 616,1326 250,1327 554.354,1328 312.246,1329 592.293,1330 872.27,1331 559,1332 6.509}
{0 CHEMBL42774,1 1.654,2 15.186,3 5.084,4 25.851,5 173.106,6 8.097,7 0.354,8 4.46,9 4.573,10 4.129,11 4.07,12 5.469,13 4.016,14 5.061,15 5.229,16 4.559,17 4.525,18 6.036,19 4.436,20 5.379,21 5.588,22 4.658,23 4.7,24 6.329,25 4.574,26 5.44,27 5.653,28 4.749,29 4.703,30 6.449,31 4.565,32 5.449,33 5.685,34 4.618,35 4.639,36 6.53,37 4.51,38 5.417,39 5.66,40 4.624,41 4.593,42 6.446,43 4.463,44 5.321,45 5.527,46 4.624,47 4.545,48 6.49,49 4.448,50 5.26,51 5.431,52 4.65,53 4.554,54 6.528,55 4.447,56 0.019,57 1.129,58 15.395,59 7.588,60 7.674,61 9.753,62 0.361,63 1.999,64 35.494,65 13.725,66 31.51,67 17.719,68 0.575,69 2.509,70 56.852,71 20.01,72 69.768,73 25.298,74 0.748,75 2.589,76 71.244,77 21.875,78 94.7,79 26.86,80 0.867,81 2.607,82 62.422,83 21.369,84 137.963,85 27.69,86 0.762,87 2.44,88 68.221,89 20.88,90 99.682,91 26.411,92 0.799,93 2.226,94 58.442,95 18.502,96 115.313,97 21.79,98 0.915,99 2.103,100 55.597,101 18.253,102 150.421,103 21.153,104 26,105 68,106 0.251,107 0.535,108 0.732,109 0.84,110 0.862,111 0.87,112 3.788,113 1.046,114 -5.47,115 -5.35,116 -5,119 41.8,121 5,125 6,127 2,128 1,138 10,139 4,140 2,151 3,163 14,165 2,166 9,169 1,171 2,172 24,175 2,176 4,181 2,183 16,186 1,187 8,192 4,194 18,197 4,198 9,201 2,203 3,205 5,208 1,209 14,214 2,217 8,220 1,221 14,226 1,227 9,230 2,231 11,234 2,236 3,238 10,241 1,242 12,249 12,252 4549,253 29.223,254 29.223,255 29.223,256 29.223,257 29.223,258 26.741,259 33.688,260 17.107,261 29.921,262 23.68,263 23.68,264 23.68,265 23.68,266 23.68,267 19.841,268 42.561,269 8.111,270 24.916,271 4.65,272 2.785,273 1.487,274 0.779,275 0.633,276 0.582,277 4.498,279 2,284 1446,285 4.062,287 273.954,288 576.918,292 232.866,295 2.487,296 50.215,299 0.5,300 0.67,301 0.83,302 0.9,303 0.5,304 0.83,305 1,306 0.75,307 91.667,308 653,309 4.493,310 4.788,311 6.877,312 4.194,313 3.27,314 4.43,315 3.784,316 11.466,317 3.029,318 4.434,319 3.74,320 6.506,321 4.03,322 3.032,323 3.947,324 1.991,325 10.196,326 3.013,327 4.119,328 3.669,329 6.213,330 3.859,331 2.911,332 3.397,333 1.909,334 9.138,335 2.754,336 3.965,337 3.521,338 6.163,339 3.741,340 2.797,341 3.091,342 1.86,343 9.035,344 2.622,345 3.786,346 3.269,347 5.986,348 3.629,349 2.675,350 2.941,351 0.91,352 8.457,353 2.547,354 3.664,355 3.105,356 5.471,357 3.367,358 2.391,359 2.832,360 0.8,361 6.957,362 2.321,363 3.509,364 3.104,365 5.22,366 3.109,367 2.174,368 2.817,369 0.569,370 6.307,371 2.073,372 3.454,373 3.004,374 5.086,375 3.031,376 2.064,377 2.716,378 0.561,379 6.005,380 1.895,381 3.118,382 2.65,383 4.856,384 2.898,385 1.916,386 2.427,387 0.046,388 5.306,389 1.86,390 3.021,391 2.361,392 4.645,393 2.67,394 1.755,395 2.098,397 4.75,398 1.618,399 2.947,400 2.29,401 4.531,402 2.618,403 1.618,404 1.982,406 4.47,407 1.568,408 2.772,409 1.828,410 4.164,411 2.455,412 1.587,413 1.904,415 3.795,416 1.299,417 2.748,418 1.781,419 4.085,420 2.278,421 1.283,422 1.762,424 3.343,425 1.276,426 2.563,427 1.68,428 3.988,429 2.252,430 1.265,431 1.518,433 3.112,434 1.223,435 2.471,436 1.618,437 3.598,438 2.113,439 1.172,440 1.419,442 2.845,443 1.065,444 21.362,445 0.497,446 1.062,447 0.025,448 48.5,449 1.128,450 20.5,451 0.477,452 28,453 0.651,454 51.633,455 1.201,456 46.438,457 0.588,458 40.324,459 0.938,460 8.818,461 0.205,462 12.05,463 0.28,464 0.114,466 0.337,472 0.618,473 1.31,474 0.631,475 0.942,476 0.485,477 0.924,478 0.703,479 1.144,480 0.821,481 0.971,482 0.509,483 0.958,484 0.994,485 1,486 0.944,487 0.979,488 0.946,489 0.989,490 1.106,491 1.091,492 0.926,493 1.058,494 1.23,495 1.03,496 0.791,497 1.059,498 0.762,499 0.973,500 0.885,501 0.941,502 1.053,503 0.941,504 0.836,505 0.896,506 1.106,507 0.865,508 1.579,509 0.9,510 1.001,511 0.921,512 1.814,513 0.856,514 1.362,515 1.112,516 1.173,517 1.172,518 1.679,519 1.071,520 8,521 0.415,522 5.556,523 3.167,524 2.376,525 1.918,526 1.194,527 0.883,528 0.578,529 0.483,530 34576,531 87155,532 2.125,533 45.6,535 24,536 1,538 1,539 2,540 4,541 4,542 1.82,543 2,544 3.836,545 -0.392,550 130.661,551 1.654,552 3.518,553 4.817,554 5.525,555 5.671,556 5.722,557 3.353,558 4.961,559 5.394,560 4.083,561 3687.29,562 9.568,563 68460.1,568 497.999,569 1.374,570 5.363,571 0.167,572 0.007,573 0.082,574 0.045,575 0.035,576 0.029,577 0.019,578 0.014,579 0.009,580 0.008,581 0.415,582 0.17,583 0.63,584 0.487,585 248.739,586 -0.016,587 -0.138,588 0.039,589 -0.002,590 0.005,591 0.017,592 0.047,593 0.019,594 -0.001,595 0.01,596 0.041,597 -0.015,598 -0.06,599 0.048,600 -0.022,601 0.01,602 -0.053,603 -0.02,604 -0.025,605 -0.076,606 0.064,607 -0.034,608 -0.068,609 -0.053,610 0.209,611 -0.061,612 0.098,613 -0.003,614 0.198,615 0.032,616 0.049,617 0.038,618 0.133,619 0.078,620 0.047,621 0.112,622 -0.113,623 0.116,624 0.021,625 0.091,626 -0.074,627 0.087,628 0.095,629 -0.091,630 -0.065,631 -0.105,632 0.079,633 -0.114,634 1.96,635 6.775,636 0.744,637 60.102,638 1.002,639 1.12,640 4.243,641 18.005,642 0.692,643 3.892,644 4.234,645 4.533,646 4.804,647 5.011,648 5.112,649 5.236,650 5.328,651 5.455,652 5.505,653 9.127,654 0.646,655 639.7,656 3.892,657 5.451,658 6.315,659 7.201,660 8.081,661 8.971,662 9.857,663 10.75,664 11.639,665 12.535,666 5.1,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 79,705 20,706 3,707 48,709 84,710 33,711 16,712 6,713 10,717 6,718 7,719 2,724 6,727 7,729 19,730 14,733 3,737 3,741 3,747 36,748 7,749 1,750 10,751 3,755 4,760 0.833,761 3,773 1,775 2,776 4,780 1,783 1,784 2,792 1,796 5,797 1,799 1,802 2,805 43,810 11,811 1,813 1,814 3,815 3,824 2,825 3.8,828 3,832 21.5,833 13.886,834 9.333,835 5.041,836 2.605,837 1.299,838 0.986,839 9.85,840 11.312,841 4.103,842 4.644,843 5.158,844 5.658,845 6.151,846 6.329,847 6.605,848 6.893,849 7.186,850 6.989,851 1,852 70,853 16.158,854 7.162,855 7.711,856 31.235,857 27.01,859 2.211,860 95.056,864 411.989,865 184.921,866 27.384,867 78.297,868 75.435,870 32.22,871 152.702,872 565.721,873 27.384,875 49.566,876 94.762,877 89.549,878 21.643,879 11.771,880 432.437,881 78.297,882 411.989,883 180.085,884 75.435,885 110.517,887 317.82,888 169.604,891 52.691,892 127.395,893 78.297,894 32.22,895 411.989,896 102.818,897 263.218,900 411.989,901 90.159,902 104.135,903 18.011,904 153.732,905 411.989,906 102.818,907 263.218,909 0.586,910 0.349,911 0.191,912 0.101,913 33,914 15,915 0.095,916 8,917 1,918 1.063,919 5.216,920 449.988,921 0.063,922 32,923 223.329,924 1,928 30.728,929 13.784,930 7.018,931 2.197,932 102.818,933 19.263,938 2.658,940 18.011,941 778.025,942 59.5,946 40.396,950 -0.497,952 79.134,953 88.488,954 0.262,955 0.558,956 0.764,957 0.876,958 0.9,959 0.908,960 5.372,961 2.064,962 6.304,963 6.307,964 4.92,965 5.333,966 3.928,967 7.13,968 4.821,969 6.549,970 1.916,971 7.874,972 6.005,973 4.511,974 5.121,975 2.929,976 8.054,977 4.327,978 7.846,979 1.755,980 9.543,981 5.306,982 6.529,983 7.43,984 6.086,985 11.172,986 6.339,987 9.174,988 1.618,989 11.272,990 4.75,991 6.957,992 8.058,993 5.249,994 12.942,995 6.686,996 10.536,997 1.587,998 13.04,999 4.47,1000 8.43,1001 9.873,1002 8.609,1003 15.574,1004 8.144,1005 11.92,1006 1.283,1007 14.835,1008 3.795,1009 9.239,1010 10.908,1011 7.918,1012 17.694,1013 8.876,1014 13.322,1015 1.265,1016 16.649,1017 3.343,1018 10.5,1019 12.528,1020 11.214,1021 20.167,1022 10.11,1023 3.27,1024 1.172,1025 18.478,1026 3.112,1027 11.487,1028 13.774,1029 10.721,1030 22.44,1031 11.026,1032 3.032,1033 11.466,1034 20.319,1035 2.845,1036 12.666,1037 15.31,1038 13.839,1039 24.862,1040 12.168,1041 2.911,1042 10.196,1043 22.169,1044 4.43,1045 13.735,1046 16.665,1047 13.532,1048 27.207,1049 13.172,1050 2.797,1051 9.138,1052 24.027,1053 3.947,1054 14.887,1055 18.164,1056 16.47,1057 29.616,1058 14.277,1059 2.675,1060 9.035,1061 25.891,1062 3.397,1063 15.996,1064 19.578,1065 16.323,1066 31.997,1067 15.324,1068 2.391,1069 8.457,1070 27.761,1071 3.091,1072 17.142,1073 21.061,1074 19.103,1075 34.407,1076 16.417,1077 2.174,1078 6.957,1079 29.636,1080 2.941,1081 18.272,1082 22.505,1083 19.094,1084 36.808,1085 17.485,1086 31744,1087 50775,1088 32.422,1089 54.694,1090 72.7,1091 77.228,1092 74.301,1093 72.723,1094 72.284,1095 88.09,1096 24.86,1097 210.047,1098 68.544,1099 5.493,1100 6.788,1101 6.566,1102 5.337,1103 5.27,1104 7.43,1105 7.434,1106 18.981,1107 5.029,1108 19.952,1109 1.515,1110 1.609,1111 1.548,1112 1.515,1113 1.506,1114 1.835,1115 0.518,1116 4.376,1117 1.428,1118 4.1,1119 4.124,1120 4.17,1121 4.058,1122 7.435,1123 4.052,1124 3.99,1125 4.028,1126 4.04,1127 3.931,1128 7.426,1129 3.911,1130 3.917,1131 3.96,1132 3.959,1133 3.775,1134 7.422,1135 3.777,1136 3.775,1137 3.812,1138 3.823,1139 3.669,1140 5.015,1141 3.65,1142 3.711,1143 3.764,1144 3.607,1145 3.55,1146 4.896,1147 3.545,1148 3.566,1149 3.617,1150 3.584,1151 3.43,1152 4.628,1153 3.424,1154 3.453,1155 3.497,1156 3.498,1157 3.296,1158 4.399,1159 3.31,1160 3.324,1161 3.364,1162 3.349,1163 3.156,1164 4.347,1165 3.154,1166 0.094,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.493,1172 0.092,1173 4.788,1174 0.079,1175 6.877,1176 0.239,1177 4.194,1178 0.063,1179 3.27,1180 4.43,1181 3.784,1182 11.466,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.419,1189 2.147,1190 1.897,1191 1.883,1192 2.041,1193 2.043,1194 1.325,1195 2.045,1196 1.842,1197 1.783,1198 1.943,1199 1.953,1200 1.211,1201 1.967,1202 1.654,1203 1.622,1204 1.86,1205 1.851,1206 1.176,1207 1.841,1208 1.577,1209 1.507,1210 1.801,1211 1.751,1212 1.101,1213 1.793,1214 1.524,1215 1.479,1216 1.701,1217 1.749,1218 0.962,1219 1.735,1220 1.485,1221 1.441,1222 1.669,1223 1.634,1224 0.86,1225 1.65,1226 1.348,1227 1.271,1228 1.596,1229 1.582,1230 0.825,1231 1.597,1232 4.575,1233 5.911,1234 3.045,1235 7.434,1236 5.352,1237 9.044,1238 7.413,1239 10.699,1242 12.753,1247 8.463,1248 3.001,1250 1.369,1251 -0.579,1252 6.031,1257 51.028,1258 130.661,1259 277.954,1260 380.515,1261 436.489,1262 447.999,1263 451.999,1264 103.964,1265 8.708,1266 72.96,1267 98.26,1268 34,1269 13.061,1270 4.392,1271 3.644,1272 63.652,1273 227,1274 243,1275 0.128,1276 317.719,1277 562.86,1278 766.993,1279 87694,1280 2.5,1281 29.924,1282 0.696,1283 0.613,1284 31.277,1285 26.343,1286 20.868,1287 0.435,1288 0.349,1289 15.028,1290 19.283,1291 14.597,1292 11.899,1293 21.854,1294 16.731,1295 18.992,1296 0.279,1297 0.202,1298 20.387,1299 13.715,1300 16.382,1301 0.178,1302 0.118,1303 17.835,1304 10.895,1305 13.795,1306 0.114,1307 0.071,1308 15.631,1309 8.606,1310 10.82,1311 0.073,1312 0.039,1313 12.135,1314 5.835,1315 0.203,1316 139.516,1317 0.176,1318 38.289,1319 0.345,1320 232,1321 625.742,1322 305.159,1323 683.23,1324 904.9,1325 638,1326 276,1327 588.833,1328 340.077,1329 626.03,1330 927.31,1331 592,1332 6.222}
{0 CHEMBL42786,1 1.749,2 13.838,3 3.513,4 12.338,5 147.717,6 8.609,7 0.425,8 4.262,9 4.373,10 3.97,11 3.876,12 5.378,13 3.826,14 4.803,15 4.956,16 4.383,17 4.3,18 5.902,19 4.211,20 5.097,21 5.288,22 4.497,23 4.45,24 6.17,25 4.338,26 5.14,27 5.327,28 4.603,29 4.45,30 6.274,31 4.325,32 5.127,33 5.332,34 4.426,35 4.403,36 6.301,37 4.285,38 5.148,39 5.353,40 4.509,41 4.366,42 6.389,43 4.261,44 5.103,45 5.314,46 4.383,47 4.328,48 6.259,49 4.224,50 5.058,51 5.244,52 4.498,53 4.3,54 6.369,55 4.208,56 0.084,57 0.926,58 11.358,59 5.901,60 14.949,61 7.247,62 0.348,63 1.536,64 25.987,65 10.808,66 36.994,67 13.255,68 0.558,69 1.875,70 43.44,71 15.31,72 85.165,73 18.143,74 0.819,75 1.929,76 54.867,77 16.08,78 102.132,79 18.287,80 0.679,81 1.917,82 44.901,83 16.186,84 111.254,85 19.629,86 0.877,87 1.855,88 52.97,89 15.774,90 133.452,91 18.69,92 0.654,93 1.756,94 45.655,95 14.973,96 103.018,97 17.823,98 0.9,99 1.688,100 47.254,101 14.346,102 133.237,103 16.066,104 43,105 55,106 0.277,107 0.579,108 0.752,109 0.877,110 0.91,111 0.92,112 3.642,113 1.026,114 -4.35,115 -4.29,116 -4.04,119 41.5,121 2,125 4,127 1,128 1,138 10,139 4,140 2,151 3,156 1,157 1,158 1,163 13,165 1,166 5,169 2,171 3,172 23,176 4,180 1,181 2,182 1,183 16,186 1,187 7,190 1,192 4,194 16,197 2,198 3,200 1,201 3,203 4,205 7,207 1,208 1,209 10,212 1,214 4,217 11,221 9,223 1,224 1,226 4,227 5,231 12,236 6,238 7,241 1,242 6,244 1,245 3,246 1,247 2,249 7,251 2,252 2933,253 24.922,254 24.922,255 24.922,256 24.922,257 24.922,258 22.416,259 22.636,260 14.914,261 25.489,262 19.696,263 19.696,264 19.696,265 19.696,266 19.696,267 15.818,268 22.518,269 7.04,270 20.706,271 4.273,272 2.369,273 1.277,274 0.485,275 0.277,276 0.215,277 4.334,279 2,283 1,284 1089,285 4.359,287 113.548,288 358.606,292 195.011,295 2.076,296 47.924,299 0.75,300 0.67,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.73,307 79.667,308 512,309 4.493,310 4.787,311 6.87,312 4.183,313 3.261,314 4.43,315 3.784,316 11.432,317 3.028,318 4.428,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.999,327 4.102,328 3.579,329 6.202,330 3.737,331 2.793,332 3.374,333 1.907,334 9.025,335 2.619,336 3.688,337 3.523,338 5.483,339 3.418,340 2.43,341 2.944,342 1.864,343 6.997,344 2.395,345 3.639,346 3.281,347 5.22,348 3.336,349 2.341,350 2.835,351 0.896,352 6.308,353 2.309,354 3.509,355 3.104,356 5.098,357 3.109,358 2.174,359 2.822,360 0.561,361 6.135,362 2.072,363 3.455,364 3.013,365 5.019,366 3.03,367 2.06,368 2.72,369 0.149,370 5.941,371 1.883,372 3.118,373 2.652,374 4.844,375 2.708,376 1.793,377 2.427,379 5.221,380 1.618,381 2.998,382 2.29,383 4.622,384 2.618,385 1.618,386 2.097,388 4.477,389 1.596,390 2.803,391 1.91,392 4.162,393 2.456,394 1.594,395 1.904,397 3.793,398 1.351,399 2.769,400 1.75,401 4.001,402 2.362,403 1.403,404 1.83,406 3.129,407 1.28,408 2.563,409 1.68,410 3.6,411 2.275,412 1.275,413 1.518,415 2.848,416 1.271,417 2.456,418 1.618,419 3.535,420 2.117,421 1.176,422 1.443,424 2.663,425 1.068,426 2.403,427 1.353,428 3.394,429 1.998,430 1.011,431 1.358,433 2.312,434 0.991,435 1.97,436 1.238,437 3.241,438 1.745,439 0.763,440 0.853,442 1.722,443 0.736,444 18.362,445 0.496,446 0.891,447 0.024,448 43.75,449 1.182,450 20.5,451 0.554,452 23.25,453 0.628,454 39.117,455 1.057,456 39.838,457 0.613,458 36.459,459 0.985,460 8.455,461 0.229,462 9.413,463 0.254,464 0.154,466 0.321,472 0.678,473 1.154,474 0.623,475 0.839,476 0.583,477 0.847,478 0.63,479 1.119,480 0.821,481 0.998,482 0.569,483 0.969,484 1.065,485 0.969,486 0.968,487 0.966,488 1.073,489 0.945,490 1.177,491 1.047,492 1.003,493 1.065,494 1.294,495 1.036,496 0.797,497 1.088,498 0.875,499 1.071,500 0.868,501 1.002,502 1.092,503 1.034,504 0.922,505 1.033,506 1.198,507 0.98,508 1.343,509 0.914,510 0.952,511 0.88,512 1.425,513 0.899,514 1.324,515 1.022,516 1.07,517 1.059,518 1.453,519 0.954,520 7,521 0.279,522 4.444,523 3.014,524 2.109,525 1.456,526 0.925,527 0.78,528 0.488,529 0.416,530 21093,531 64990,532 2.039,533 43.1,535 19,536 1,538 4,539 4,542 1.785,543 1.897,544 3.72,545 1.498,550 113.711,551 1.749,552 3.653,553 4.746,554 5.538,555 5.745,556 5.807,557 3.221,558 4.993,559 5.178,560 3.924,561 2613.27,562 9.135,563 43647.8,568 391.454,569 1.446,570 5.134,571 0.175,572 0.006,573 0.081,574 0.052,575 0.038,576 0.026,577 0.017,578 0.015,579 0.009,580 0.009,581 0.43,583 0.88,584 1.411,585 204.676,586 -0.072,587 0.018,588 0.016,589 0.068,590 -0.05,591 0.054,592 0.071,593 0.021,594 -0.004,595 0.001,596 0.023,597 -0.028,598 -0.111,599 0.063,600 -0.015,601 0.05,602 -0.118,603 0.028,604 -0.061,605 -0.012,606 0.033,607 -0.012,608 -0.135,609 -0.071,610 0.138,611 -0.076,612 0.016,613 -0.048,614 0.13,615 -0.017,616 0.075,617 -0.053,618 0.064,619 -0.041,620 0.061,621 -0.011,622 -0.15,623 0.046,624 0.007,625 0.077,626 -0.119,627 0.067,628 0.022,629 -0.024,630 0.021,631 -0.026,632 0.023,633 0.001,634 1.934,635 6.383,636 0.568,637 46.425,638 1.009,639 1.12,640 3.123,641 9.751,642 0.702,643 3.714,644 4.025,645 4.29,646 4.554,647 4.771,648 4.844,649 4.942,650 5.037,651 5.106,652 5.088,653 8.237,654 0.66,655 559.56,656 3.714,657 5.252,658 6.098,659 6.974,660 7.843,661 8.729,662 9.609,663 10.501,664 11.387,665 12.282,666 6.2,667 1,673 3,680 2,681 10,686 4,688 17,702 2,703 65,705 20,706 3,707 40,709 68,710 27,711 16,712 6,713 10,717 4,718 5,719 2,721 1,724 1,727 3,729 19,730 8,733 3,737 3,741 3,747 28,748 7,749 4,750 10,751 3,755 4,760 0.75,761 3,775 1,776 3,780 1,783 2,784 1,790 1,796 3,797 1,799 1,802 2,805 37,806 1,810 6,811 2,813 1,814 2,815 1,824 2,825 4.6,828 3,832 19.5,833 11.236,834 8.278,835 3.795,836 2.979,837 1.371,838 0.972,839 9.735,840 11.009,841 3.961,842 4.511,843 5.029,844 5.551,845 6.069,846 6.245,847 6.517,848 6.821,849 7.103,850 6.869,851 1,852 58,853 13.808,854 5.982,855 7.898,856 26.004,857 21.541,859 2.398,860 88.722,864 282.506,865 173.106,866 72.043,867 78.297,868 75.435,870 32.22,871 140.887,872 436.239,873 72.043,875 85.535,876 94.762,877 89.549,878 18.518,879 11.771,880 302.955,881 78.297,882 282.506,883 212.93,884 75.435,885 110.517,887 282.506,888 75.435,891 85.535,892 127.395,893 78.297,894 32.22,895 282.506,896 147.478,897 251.403,900 282.506,901 78.344,902 97.887,903 36.022,904 186.629,905 282.506,906 147.478,907 251.403,909 0.574,910 0.334,911 0.181,912 0.102,913 24,914 12,915 0.147,916 10,917 1,918 1.095,919 4.67,920 349.952,921 0.095,922 21,923 190.75,924 1,928 27.741,929 12.985,930 6.977,931 2.178,932 147.478,933 19.081,938 2.634,940 68.919,941 681.388,942 51.5,946 38.441,950 -0.615,952 65.6,953 72.827,954 0.29,955 0.607,956 0.788,957 0.92,958 0.954,959 0.964,960 5.2,961 1.793,962 6.08,963 5.941,964 4.71,965 5.198,966 3.885,967 6.891,968 4.613,969 6.388,970 1.618,971 7.64,972 5.221,973 4.29,974 5.007,975 2.888,976 7.808,977 4.121,978 7.686,979 1.594,980 9.302,981 4.477,982 6.297,983 7.339,984 6.077,985 10.933,986 6.12,987 9.018,988 1.403,989 11.027,990 3.793,991 6.711,992 7.975,993 5.226,994 12.719,995 6.458,996 10.383,997 1.275,998 12.794,999 3.129,1000 8.186,1001 9.814,1002 8.606,1003 15.369,1004 7.92,1005 11.772,1006 1.176,1007 14.589,1008 2.848,1009 8.994,1010 10.856,1011 7.908,1012 17.515,1013 8.652,1014 13.18,1015 1.011,1016 16.407,1017 2.663,1018 10.261,1019 12.492,1020 11.213,1021 20.006,1022 9.893,1023 3.261,1024 0.763,1025 18.242,1026 2.312,1027 11.255,1028 13.744,1029 10.717,1030 22.302,1031 10.814,1032 3.032,1033 11.432,1034 20.09,1035 1.722,1036 12.443,1037 15.288,1038 13.838,1039 24.739,1040 11.964,1041 2.793,1042 10.196,1043 21.949,1044 4.43,1045 13.524,1046 16.648,1047 13.53,1048 27.1,1049 12.976,1050 2.43,1051 9.025,1052 23.817,1053 3.947,1054 14.685,1055 18.152,1056 16.47,1057 29.52,1058 14.09,1059 2.341,1060 6.997,1061 25.692,1062 3.374,1063 15.806,1064 19.568,1065 16.322,1066 31.911,1067 15.145,1068 2.174,1069 6.308,1070 27.573,1071 2.944,1072 16.961,1073 21.054,1074 19.103,1075 34.328,1076 16.246,1077 2.06,1078 6.135,1079 29.459,1080 2.835,1081 18.101,1082 22.499,1083 19.093,1084 36.735,1085 17.323,1086 20327,1087 35869,1088 26.353,1089 45.648,1090 59.208,1091 64.132,1092 61.65,1093 59.137,1094 58.819,1095 74.602,1096 22.139,1097 167.339,1098 55.729,1099 5.465,1100 6.787,1101 6.735,1102 5.322,1103 5.261,1104 7.43,1105 7.434,1106 18.946,1107 5.028,1108 20.331,1109 1.48,1110 1.603,1111 1.541,1112 1.478,1113 1.47,1114 1.865,1115 0.553,1116 4.183,1117 1.393,1118 4.096,1119 4.118,1120 4.168,1121 4.056,1122 7.434,1123 4.051,1124 3.974,1125 3.994,1126 4.039,1127 3.928,1128 7.427,1129 3.907,1130 3.783,1131 3.815,1132 3.957,1133 3.679,1134 7.423,1135 3.661,1136 3.692,1137 3.747,1138 3.611,1139 3.491,1140 5.021,1141 3.502,1142 3.563,1143 3.625,1144 3.585,1145 3.425,1146 5.003,1147 3.417,1148 3.465,1149 3.521,1150 3.498,1151 3.298,1152 4.895,1153 3.303,1154 3.374,1155 3.423,1156 3.346,1157 3.198,1158 4.628,1159 3.19,1160 3.168,1161 3.229,1162 3.284,1163 3.044,1164 4.348,1165 3.033,1166 0.112,1167 0.12,1168 0.172,1169 0.105,1170 0.082,1171 4.493,1172 0.111,1173 4.787,1174 0.095,1175 6.87,1176 0.286,1177 4.183,1178 0.076,1179 3.261,1180 4.43,1181 3.784,1182 11.432,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.883,1192 1.951,1193 1.97,1194 1.201,1195 1.978,1196 1.686,1197 1.642,1198 1.877,1199 1.9,1200 1.131,1201 1.9,1202 1.629,1203 1.583,1204 1.802,1205 1.841,1206 1.059,1207 1.834,1208 1.514,1209 1.467,1210 1.751,1211 1.739,1212 0.994,1213 1.748,1214 1.482,1215 1.411,1216 1.678,1217 1.62,1218 0.826,1219 1.645,1220 1.277,1221 1.225,1222 1.498,1223 1.505,1224 0.614,1225 1.495,1226 1.196,1227 1.161,1228 1.335,1229 1.409,1230 0.596,1231 1.418,1232 4.394,1233 5.707,1234 2.398,1235 7.21,1236 4.844,1237 8.806,1238 7.018,1239 10.455,1242 12.536,1245 5.452,1247 1.403,1248 5.674,1250 1.358,1251 -1.035,1252 1.616,1257 42.92,1258 113.711,1259 237.448,1260 308.46,1261 359.944,1262 373.454,1263 377.454,1264 103.678,1265 8.03,1266 104.53,1267 129.83,1268 23,1269 12.81,1270 4.392,1271 3.644,1272 64.636,1273 179,1274 203,1275 0.169,1276 274.951,1277 483.78,1278 662.641,1279 37465,1280 3.1,1281 26.363,1282 0.713,1283 0.606,1284 27.717,1285 22.413,1286 17.867,1287 0.447,1288 0.342,1289 12.001,1290 16.359,1291 11.623,1292 9.523,1293 18.853,1294 13.68,1295 15.884,1296 0.289,1297 0.197,1298 17.279,1299 10.814,1300 13.093,1301 0.182,1302 0.113,1303 14.547,1304 8.162,1305 10.821,1306 0.115,1307 0.068,1308 12.667,1309 6.392,1310 8.728,1311 0.075,1312 0.038,1313 10.014,1314 4.426,1315 0.268,1316 121.169,1317 0.195,1318 33.881,1319 0.459,1320 190,1321 568.097,1322 260.744,1323 628.634,1324 819.38,1325 584,1326 222,1327 516.664,1328 282.026,1329 553.743,1330 814.25,1331 523,1332 5.046}
{0 CHEMBL42799,1 1.622,2 15.821,3 2.262,4 5.116,5 149.958,6 7.544,7 0.372,8 4.387,9 4.5,10 3.993,11 3.92,12 5.433,13 3.887,14 4.968,15 5.136,16 4.365,17 4.336,18 5.982,19 4.268,20 5.229,21 5.437,22 4.412,23 4.469,24 6.204,25 4.364,26 5.271,27 5.491,28 4.397,29 4.471,30 6.259,31 4.353,32 5.288,33 5.521,34 4.396,35 4.401,36 6.453,37 4.303,38 5.229,39 5.46,40 4.262,41 4.329,42 6.312,43 4.23,44 5.166,45 5.388,46 4.271,47 4.275,48 6.327,49 4.195,50 5.084,51 5.276,52 4.274,53 4.28,54 6.294,55 4.185,56 0.051,57 1.069,58 15.73,59 7.081,60 9.151,61 8.919,62 0.479,63 1.791,64 34.193,65 12.04,66 39.451,67 15.376,68 0.797,69 2.131,70 47.922,71 16.117,72 72.927,73 20.586,74 0.577,75 2.21,76 50.603,77 17.072,78 74.083,79 22.149,80 1.026,81 2.144,82 52.018,83 16.423,84 141.78,85 22.051,86 0.803,87 1.998,88 47.934,89 15.244,90 94.712,91 20.084,92 0.912,93 1.87,94 45.241,95 13.851,96 107.702,97 17.682,98 0.743,99 1.77,100 41.78,101 14.169,102 118.358,103 17.272,104 10,105 58,106 0.251,107 0.561,108 0.761,109 0.862,110 0.882,111 0.89,112 3.693,113 0.999,114 -2.4,115 -2.43,116 -2.39,119 39.7,121 2,125 8,127 1,128 1,138 9,139 3,147 1,148 1,151 3,163 12,165 1,166 5,169 2,171 3,172 15,175 3,176 5,179 1,181 2,183 13,187 4,190 1,192 4,194 8,197 4,198 7,201 3,203 4,205 5,208 2,209 6,212 1,214 3,217 5,220 2,221 8,224 2,226 2,227 6,230 1,231 7,234 2,235 1,236 1,238 6,241 2,242 8,249 5,252 3555,253 26.827,254 26.827,255 26.827,256 26.827,257 26.827,258 24.529,259 28.818,260 16.291,261 27.395,262 21.281,263 21.281,264 21.281,265 21.281,266 21.281,267 17.731,268 33.945,269 7.792,270 22.159,271 4.568,272 2.567,273 1.271,274 0.623,275 0.493,276 0.438,277 4.398,283 1,284 1349,285 4.301,287 237.744,288 406.678,292 210.812,295 2.893,296 46.509,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 85,308 617,309 4.493,310 4.786,311 6.817,312 4.163,313 3.236,314 4.43,315 3.784,316 11.254,317 3.028,318 4.363,319 3.65,320 6.506,321 4.03,322 3.031,323 3.668,324 1.963,325 10.196,326 2.995,327 3.903,328 3.615,329 5.937,330 3.581,331 2.59,332 3.274,333 1.909,334 8.225,335 2.558,336 3.695,337 3.503,338 5.378,339 3.448,340 2.525,341 2.942,342 1.859,343 6.967,344 2.395,345 3.591,346 3.176,347 5.34,348 3.402,349 2.415,350 2.83,351 0.901,352 6.847,353 2.308,354 3.517,355 3.101,356 5.214,357 3.259,358 2.26,359 2.713,360 0.86,361 6.311,362 2.242,363 3.463,364 2.885,365 4.986,366 3.061,367 2.059,368 2.519,369 0.8,370 5.847,371 2.06,372 3.118,373 2.292,374 4.766,375 2.7,376 1.747,377 2.427,378 0.561,379 4.972,380 1.651,381 2.991,382 2.28,383 4.414,384 2.618,385 1.618,386 2.072,387 0.215,388 4.05,389 1.618,390 2.771,391 2.176,392 4.161,393 2.532,394 1.601,395 1.904,397 3.792,398 1.487,399 2.707,400 1.807,401 3.717,402 2.403,403 1.499,404 1.701,406 3.308,407 1.33,408 2.611,409 1.678,410 3.599,411 2.274,412 1.276,413 1.6,415 2.847,416 1.273,417 2.403,418 1.618,419 3.501,420 2.179,421 1.26,422 1.36,424 2.711,425 1.138,426 2.327,427 1.353,428 3.395,429 1.995,430 1.005,431 1.297,433 2.306,434 0.992,435 2.272,436 1.256,437 3.348,438 1.952,439 1,440 1.15,442 2.136,443 0.946,444 18.6,445 0.477,446 0.763,447 0.02,448 44.25,449 1.135,450 18.5,451 0.474,452 25.75,453 0.66,454 40.128,455 1.029,456 43.2,457 0.592,458 36.926,459 0.947,460 8.707,461 0.223,462 10.373,463 0.266,464 0.054,466 0.285,472 0.754,473 1.371,474 0.765,475 1.086,476 0.529,477 0.996,478 0.961,479 1.131,480 1.076,481 1.065,482 0.612,483 1.007,484 1.048,485 0.953,486 1.08,487 1.009,488 1.073,489 1.007,490 0.967,491 1.128,492 1.079,493 1.139,494 1.179,495 1.066,496 0.819,497 1.013,498 0.91,499 1,500 0.866,501 0.931,502 1.133,503 1.008,504 1.014,505 0.977,506 1.303,507 0.957,508 1.402,509 0.838,510 1.043,511 0.843,512 1.725,513 0.859,514 1.3,515 1.067,516 1.174,517 1.092,518 1.618,519 1.04,520 6,521 0.315,522 3.778,523 2.417,524 1.882,525 1.226,526 0.819,527 0.553,528 0.373,529 0.319,530 28041,531 71106,532 2.126,533 46.6,535 26,536 2,538 2,539 2,541 2,542 1.794,543 2.035,544 3.877,545 0.162,550 118.392,551 1.622,552 3.623,553 4.919,554 5.566,555 5.697,556 5.751,557 3.37,558 4.958,559 5.251,560 4.131,561 3061.09,562 9.264,563 54947.3,568 451.857,569 1.211,570 5.237,571 0.14,572 0.006,573 0.065,574 0.042,575 0.034,576 0.022,577 0.016,578 0.011,579 0.008,580 0.007,581 0.351,582 0.33,583 0.63,584 0.42,585 222.065,586 -0.036,587 -0.164,588 0.07,589 -0.032,590 -0.004,591 0.005,592 -0.03,593 0.027,594 -0.047,595 -0.002,596 0.002,597 -0.033,598 -0.042,599 0.092,600 -0.036,601 0.024,602 -0.098,603 -0.024,604 -0.056,605 -0.107,606 -0.013,607 -0.088,608 -0.078,609 -0.066,610 0.232,611 -0.036,612 0.121,613 -0.017,614 0.27,615 0.047,616 -0.005,617 -0.031,618 -0.001,619 -0.016,620 -0.012,621 0.006,622 -0.073,623 0.156,624 0.003,625 0.11,626 -0.076,627 0.076,628 -0.03,629 -0.059,630 -0.06,631 -0.031,632 0.016,633 -0.066,634 1.929,635 6.353,636 0.667,637 56.781,638 1.005,639 1.126,640 1.172,641 1.373,642 0.663,643 3.784,644 4.078,645 4.344,646 4.605,647 4.779,648 4.812,649 4.913,650 4.963,651 5.004,652 4.984,653 9.32,654 0.627,655 550.74,656 3.784,657 5.313,658 6.155,659 7.02,660 7.881,661 8.755,662 9.626,663 10.504,664 11.382,665 12.264,666 5.5,669 1,673 3,680 2,681 10,684 1,686 2,688 16,703 73,705 19,706 2,707 43,709 77,710 29,711 14,712 3,713 7,717 5,718 6,724 1,727 3,729 17,730 12,733 3,737 3,741 3,746 1,747 34,748 9,749 2,750 10,751 1,755 4,760 0.8,761 5,775 2,776 3,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 39,810 10,811 2,812 1,813 1,814 2,815 2,825 6.8,828 3,829 1,830 1,832 19.167,833 12.65,834 8.667,835 4.419,836 2.518,837 1.308,838 0.969,839 9.719,840 10.696,841 4.007,842 4.508,843 5.003,844 5.512,845 5.927,846 6.124,847 6.441,848 6.719,849 6.973,850 6.624,851 0.909,852 57,853 14.614,854 6.327,855 7.761,856 28.011,857 23.356,859 2.261,860 88.167,864 376.675,865 184.028,866 42.27,868 95.942,870 32.22,871 151.808,872 472.617,873 42.27,875 66.034,876 97.026,877 100.549,878 20.963,879 28.991,880 385.353,882 376.675,883 194.078,884 95.942,885 32.22,887 353.133,888 108.484,889 11,891 69.158,892 124.92,894 32.22,895 376.675,896 138.212,897 184.028,900 376.675,901 87.002,902 103.274,903 36.022,904 95.942,905 376.675,906 138.212,907 184.028,909 0.57,910 0.332,911 0.185,912 0.099,913 26,914 11,915 0.143,916 11,917 1,918 1.077,919 5.078,920 371.344,921 0.077,922 26,923 200.131,924 1,928 27.875,929 13.597,930 7.296,931 2.203,932 138.212,933 19.144,936 5.58,938 1.611,940 36.022,941 698.915,942 54,946 38.972,950 -0.657,952 73.374,953 82.188,954 0.262,955 0.585,956 0.795,957 0.899,958 0.92,959 0.929,960 5.242,961 1.747,962 6.111,963 5.847,964 4.762,965 5.196,966 3.944,967 6.893,968 4.687,969 6.394,970 1.618,971 7.645,972 4.972,973 4.205,974 4.856,975 2.909,976 7.74,977 4.114,978 7.668,979 1.601,980 9.285,981 4.05,982 6.315,983 7.261,984 6.086,985 10.874,986 6.168,987 8.977,988 1.499,989 10.99,990 3.792,991 6.648,992 7.839,993 5.238,994 12.633,995 6.471,996 10.324,997 1.276,998 12.741,999 3.308,1000 8.169,1001 9.689,1002 8.608,1003 15.271,1004 7.943,1005 11.698,1006 1.26,1007 14.524,1008 2.847,1009 8.927,1010 10.717,1011 7.914,1012 17.401,1013 8.658,1014 13.092,1015 1.005,1016 16.331,1017 2.711,1018 10.212,1019 12.346,1020 11.213,1021 19.879,1022 9.897,1023 3.236,1024 1,1025 18.156,1026 2.306,1027 11.177,1028 13.604,1029 10.72,1030 22.164,1031 10.81,1032 3.031,1033 11.254,1034 19.995,1035 2.136,1036 12.369,1037 15.143,1038 13.839,1039 24.589,1040 11.955,1041 2.59,1042 10.196,1043 21.846,1044 4.43,1045 13.432,1046 16.515,1047 13.531,1048 26.939,1049 12.964,1050 2.525,1051 8.225,1052 23.706,1053 3.668,1054 14.592,1055 18.017,1056 16.47,1057 29.347,1058 14.074,1059 2.415,1060 6.967,1061 25.574,1062 3.274,1063 15.702,1064 19.445,1065 16.323,1066 31.726,1067 15.128,1068 2.26,1069 6.847,1070 27.449,1071 2.942,1072 16.854,1073 20.934,1074 19.103,1075 34.13,1076 16.227,1077 2.059,1078 6.311,1079 29.328,1080 2.83,1081 17.987,1082 22.391,1083 19.094,1084 36.523,1085 17.303,1086 26038,1087 41677,1088 29.413,1089 48.364,1090 64.038,1091 67.637,1092 64.326,1093 63.41,1094 63.397,1095 78.136,1096 25.703,1097 175.628,1098 61.006,1099 5.493,1100 6.786,1101 6.619,1102 5.306,1103 5.236,1104 7.43,1105 7.434,1106 18.609,1107 5.028,1108 14.369,1109 1.489,1110 1.573,1111 1.496,1112 1.475,1113 1.474,1114 1.817,1115 0.598,1116 4.084,1117 1.419,1118 4.096,1119 4.119,1120 4.108,1121 4.055,1122 7.435,1123 4.05,1124 3.967,1125 3.985,1126 4.034,1127 3.849,1128 7.427,1129 3.838,1130 3.828,1131 3.888,1132 3.732,1133 3.624,1134 7.422,1135 3.636,1136 3.75,1137 3.775,1138 3.708,1139 3.595,1140 5.071,1141 3.597,1142 3.643,1143 3.697,1144 3.553,1145 3.436,1146 4.897,1147 3.447,1148 3.535,1149 3.587,1150 3.479,1151 3.402,1152 4.628,1153 3.399,1154 3.44,1155 3.488,1156 3.337,1157 3.265,1158 4.348,1159 3.274,1160 3.32,1161 3.366,1162 3.24,1163 3.142,1164 4.212,1165 3.138,1166 0.104,1167 0.111,1168 0.159,1169 0.097,1170 0.075,1171 4.493,1172 0.103,1173 4.786,1174 0.088,1175 6.817,1176 0.262,1177 4.163,1178 0.07,1179 3.236,1180 4.43,1181 3.784,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.767,1191 1.702,1192 1.986,1193 2.002,1194 1.298,1195 2.001,1196 1.662,1197 1.626,1198 1.833,1199 1.896,1200 1.113,1201 1.873,1202 1.629,1203 1.596,1204 1.795,1205 1.825,1206 1.098,1207 1.822,1208 1.538,1209 1.487,1210 1.721,1211 1.733,1212 1.003,1213 1.736,1214 1.506,1215 1.464,1216 1.682,1217 1.626,1218 0.828,1219 1.653,1220 1.416,1221 1.373,1222 1.619,1223 1.587,1224 0.825,1225 1.6,1226 1.304,1227 1.274,1228 1.513,1229 1.551,1230 0.731,1231 1.527,1232 4.466,1233 5.765,1234 3.045,1235 7.249,1236 5.352,1237 8.822,1238 7.413,1239 10.447,1247 5.912,1248 5.902,1249 5.368,1250 1.35,1251 -1.052,1252 3.836,1257 45.749,1258 118.392,1259 264.491,1260 359.063,1261 406.347,1262 415.857,1263 419.857,1264 91.795,1265 8.179,1266 104.12,1267 129.42,1268 28,1269 12.8,1270 4.322,1271 3.585,1272 61.514,1273 213,1274 242,1275 0.133,1276 280.997,1277 495.82,1278 677.392,1279 48765,1281 27.029,1282 0.693,1283 0.581,1284 27.382,1285 22.66,1286 19.081,1287 0.444,1288 0.333,1289 13.251,1290 17.844,1291 12.954,1292 10.588,1293 19.489,1294 14.321,1295 16.674,1296 0.287,1297 0.19,1298 17.29,1299 11.023,1300 13.966,1301 0.184,1302 0.112,1303 14.841,1304 8.48,1305 11.654,1306 0.118,1307 0.065,1308 12.671,1309 6.388,1310 9.174,1311 0.078,1312 0.037,1313 10.075,1314 4.366,1315 0.215,1316 124.264,1317 0.184,1318 35.925,1319 0.349,1320 202,1321 611.494,1322 249.514,1323 593.03,1324 793.08,1325 558,1326 235,1327 541.628,1328 282.81,1329 553.002,1330 814.34,1331 522,1332 4.538}
{0 CHEMBL428224,1 1.541,2 14.951,3 4.634,4 21.469,5 160.489,6 7.223,7 0.378,8 4.46,9 4.57,10 4.108,11 4.023,12 5.437,13 3.97,14 5.066,15 5.241,16 4.437,17 4.439,18 6.159,19 4.361,20 5.374,21 5.59,22 4.542,23 4.634,24 6.335,25 4.515,26 5.469,27 5.679,28 4.568,29 4.637,30 6.536,31 4.536,32 5.523,33 5.747,34 4.58,35 4.631,36 6.734,37 4.533,38 5.505,39 5.725,40 4.59,41 4.679,42 6.509,43 4.571,44 5.583,45 5.801,46 4.596,47 4.72,48 6.608,49 4.606,50 5.6,51 5.837,52 4.465,53 4.686,54 6.692,55 4.545,56 0.068,57 1.153,58 20.635,59 8.233,60 16.458,61 10.548,62 0.575,63 1.951,64 36.711,65 13.6,66 69.697,67 18.152,68 0.636,69 2.507,70 56.498,71 19.624,72 73.505,73 25.311,74 0.642,75 2.609,76 62.426,77 20.617,78 115.307,79 26.424,80 1.278,81 2.65,82 63.367,83 20.294,84 228.344,85 26.759,86 0.786,87 2.718,88 64.067,89 21.285,90 110.368,91 27.539,92 0.979,93 2.846,94 70.509,95 23.021,96 140.231,97 29.414,98 1.188,99 2.822,100 69.679,101 23.242,102 208.128,103 31.055,104 30,105 63,106 0.234,107 0.511,108 0.716,109 0.832,110 0.855,111 0.863,112 3.742,113 1.069,114 -4.38,115 -4.31,116 -4.07,119 40,120 1,121 5,125 6,127 2,138 12,139 3,140 1,151 2,163 17,165 5,166 8,172 21,175 4,176 9,183 15,186 1,187 17,194 7,197 6,198 15,205 9,208 3,209 14,217 10,220 3,221 16,227 10,230 4,231 9,238 11,241 2,242 15,249 8,252 3929,253 27.832,254 27.832,255 27.832,256 27.832,257 27.832,258 25.314,259 28.956,260 16.57,261 28.418,262 22.178,263 22.178,264 22.178,265 22.178,266 22.178,267 18.266,268 35.924,269 7.781,270 23.019,271 4.781,272 2.955,273 1.602,274 0.839,275 0.684,276 0.634,277 4.443,283 1,284 1334,285 4.899,287 131.401,288 555.473,292 205.011,295 2.343,296 57.545,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.67,305 0.5,306 0.66,307 88.5,308 613,309 4.959,310 4.734,311 7.737,312 4.499,313 3.57,314 4.791,315 2.474,316 13.99,317 3.304,318 4.357,319 3.903,320 6.672,321 4.029,322 3.071,323 4.25,324 1.984,325 10.614,326 2.94,327 4.194,328 3.659,329 6.196,330 3.849,331 2.856,332 3.446,333 0.8,334 9.184,335 2.825,336 3.904,337 2.965,338 6.026,339 3.591,340 2.626,341 3.36,342 0.677,343 8.39,344 2.548,345 3.698,346 2.869,347 5.439,348 3.499,349 2.518,350 2.834,351 0.409,352 7.191,353 2.455,354 3.586,355 2.769,356 5.309,357 3.343,358 2.387,359 2.673,360 0.256,361 6.739,362 2.263,363 3.367,364 2.641,365 5.193,366 3.147,367 2.199,368 2.569,370 5.993,371 2.064,372 3.203,373 2.466,374 5.017,375 2.824,376 1.835,377 2.427,379 5.641,380 1.803,381 3.118,382 1.819,383 4.6,384 2.618,385 1.618,386 2.31,388 4.51,389 1.618,390 2.939,391 1.699,392 4.41,393 2.605,394 1.61,395 2.08,397 4.21,398 1.599,399 2.878,400 1.618,401 4.011,402 2.487,403 1.49,404 2.01,406 3.16,407 1.484,408 2.81,409 1.604,410 3.64,411 2.337,412 1.341,413 1.835,415 3.002,416 1.334,417 2.5,418 1.466,419 3.618,420 2.102,421 1.167,422 1.5,424 2.838,425 1.083,426 2.201,427 1.396,428 3.518,429 2,430 1,431 1.187,433 2.275,434 1,435 2.159,436 1.208,437 3.414,438 1.984,439 1,440 1.002,442 2.136,443 0.983,444 19.7,445 0.48,446 0.981,447 0.024,448 48,449 1.171,450 22,451 0.537,452 26,453 0.634,454 45.157,455 1.101,456 45.7,457 0.571,458 43.033,459 1.05,460 9.027,461 0.22,462 10.836,463 0.264,464 0.093,465 0.042,466 0.264,472 0.567,473 1.444,474 0.843,475 1.28,476 0.563,477 1.063,478 0.723,479 1.118,480 0.9,481 0.97,482 0.515,483 0.995,484 0.948,485 1.011,486 1.143,487 1.067,488 0.809,489 0.991,490 1.318,491 1.153,492 1.155,493 1.161,494 1.536,495 1.054,496 1.315,497 0.942,498 0.966,499 0.852,500 1.446,501 0.901,502 1.226,503 1.036,504 1.121,505 1.037,506 1.134,507 0.979,508 1.402,509 1.011,510 1.181,511 1.077,512 1.438,513 1.039,514 1.123,515 1.035,516 1.069,517 1.024,518 1.191,519 1.048,520 8,521 0.317,522 5.333,523 2.681,524 2.814,525 1.764,526 1.114,527 0.965,528 0.608,529 0.414,530 28298,531 68344,532 2.084,533 48.8,535 26,540 9,541 4,542 1.81,543 1.96,544 3.812,545 -0.775,550 123.259,551 1.541,552 3.367,553 4.72,554 5.483,555 5.637,556 5.687,557 3.343,558 4.949,559 5.322,560 4.017,561 3293.65,562 9.43,563 57766.4,568 505.754,569 1.462,570 5.288,571 0.178,572 0.006,573 0.085,574 0.04,575 0.042,576 0.026,577 0.016,578 0.014,579 0.01,580 0.008,581 0.425,582 0.17,583 0.63,584 1.024,585 232.682,586 0.081,587 -0.214,588 0.185,589 -0.093,590 -0.058,591 -0.001,592 0.188,593 0.036,594 0.049,595 0.037,596 0.164,597 -0.013,598 0.003,599 0.072,600 -0.019,601 0.012,602 0.008,603 0.004,604 -0.1,605 -0.128,606 -0.058,607 -0.124,608 -0.123,609 -0.08,610 0.077,611 0.044,612 0.036,613 0.08,614 0.097,615 0.036,616 -0.056,617 -0.003,618 -0.034,619 -0.015,620 -0.042,621 -0.009,622 -0.112,623 -0.01,624 -0.101,625 -0.065,626 -0.13,627 -0.074,628 0.051,629 -0.086,630 -0.075,631 -0.061,632 0.055,633 -0.078,634 4.825,635 7.076,636 0.659,637 56.825,638 0.999,639 1.124,640 3.15,641 9.922,642 0.658,643 3.829,644 4.159,645 4.443,646 4.691,647 4.913,648 4.984,649 5.124,650 5.252,651 5.361,652 5.403,653 8.623,654 0.616,655 577.81,656 3.829,657 5.38,658 6.236,659 7.12,660 7.998,661 8.89,662 9.778,663 10.676,664 11.571,665 12.473,666 3.8,669 2,673 1,680 2,681 12,686 2,688 17,703 80,705 21,706 3,707 45,709 84,710 32,711 16,712 4,713 12,717 5,718 6,721 1,724 6,727 7,729 18,730 14,733 4,736 1,737 4,741 2,747 39,748 8,750 9,751 1,755 3,760 0.8,761 5,773 1,775 1,776 4,780 1,784 1,786 1,792 1,796 4,799 1,801 1,805 41,808 1,810 11,812 1,814 2,815 3,825 6.3,828 4,830 1,832 20.917,833 14.267,834 9.056,835 5.224,836 2.888,837 1.34,838 0.974,839 9.642,840 11.376,841 4.069,842 4.625,843 5.118,844 5.604,845 6.128,846 6.333,847 6.702,848 6.993,849 7.32,850 7.227,851 1,852 67,853 15.747,854 7.167,855 7.783,856 29.766,857 25.382,859 2.283,860 93.583,864 459.073,865 177.919,866 7.767,868 105.603,870 5.807,871 172.112,872 564.676,873 7.767,874 8.825,875 30.918,876 119.522,877 106.499,878 25.525,880 459.073,882 459.073,883 179.879,884 105.603,885 5.807,887 306.049,888 258.627,891 44.386,892 135.493,893 5.807,895 459.073,896 113.37,897 177.919,899 5.807,900 459.073,901 49.572,902 130.307,904 105.603,905 459.073,906 113.37,907 177.919,909 0.579,910 0.342,911 0.184,912 0.099,913 29,914 13,915 0.131,916 11,917 1,918 1.074,919 4.954,920 418.959,921 0.074,922 27,923 209.66,927 1,928 29.566,929 13.371,930 6.94,931 1.787,932 113.37,933 23.07,938 1.474,941 750.362,942 57.5,945 -3.908,946 54.292,950 -0.767,952 79.923,953 89.936,954 0.244,955 0.533,956 0.747,957 0.867,958 0.892,959 0.9,960 5.324,961 1.835,962 6.236,963 5.993,964 4.844,965 5.313,966 3.001,967 7.091,968 4.773,969 6.52,970 1.618,971 7.828,972 5.641,973 4.511,974 5.27,975 2.647,976 8.274,977 4.362,978 7.845,979 1.61,980 9.539,981 4.51,982 6.503,983 7.528,984 4.26,985 11.387,986 6.334,987 9.214,988 1.49,989 11.329,990 4.21,991 7.048,992 8.377,993 4.599,994 13.481,995 6.781,996 10.628,997 1.341,998 13.174,999 3.16,1000 8.519,1001 10.163,1002 5.807,1003 16.212,1004 8.225,1005 12.073,1006 1.167,1007 15.06,1008 3.002,1009 9.454,1010 11.402,1011 6.434,1012 18.644,1013 9.056,1014 13.543,1015 1,1016 16.976,1017 2.838,1018 10.749,1019 13.029,1020 7.47,1021 21.289,1022 10.305,1023 3.57,1024 1,1025 18.916,1026 2.275,1027 11.857,1028 14.439,1029 8.233,1030 23.845,1031 11.313,1032 3.071,1033 13.99,1034 20.876,1035 2.136,1036 13.102,1037 16.011,1038 9.194,1039 26.474,1040 12.494,1041 2.856,1042 10.614,1043 22.851,1044 4.791,1045 14.288,1046 17.498,1047 10.025,1048 29.077,1049 13.585,1050 2.626,1051 9.184,1052 24.838,1053 4.25,1054 15.526,1055 19.052,1056 10.953,1057 31.707,1058 14.747,1059 2.518,1060 8.39,1061 26.836,1062 3.446,1063 16.749,1064 20.573,1065 11.819,1066 34.329,1067 15.877,1068 2.387,1069 7.191,1070 28.843,1071 3.36,1072 17.992,1073 22.124,1074 12.733,1075 36.962,1076 17.038,1077 2.199,1078 6.739,1079 30.856,1080 2.834,1081 19.233,1082 23.662,1083 13.617,1084 39.592,1085 18.19,1086 26607,1087 41618,1088 30.107,1089 52.642,1090 67.59,1091 69.909,1092 69.194,1093 67.571,1094 67.467,1095 84.587,1096 13.2,1097 195.3,1098 65.319,1099 5.959,1100 6.734,1101 7.539,1102 5.573,1103 5.57,1104 7.791,1105 4.216,1106 22.443,1107 5.304,1108 19.181,1109 1.502,1110 1.554,1111 1.538,1112 1.502,1113 1.499,1114 1.88,1115 0.293,1116 4.34,1117 1.452,1118 4.17,1119 4.169,1120 4.747,1121 4.147,1122 7.715,1123 4.096,1124 3.969,1125 4.013,1126 3.969,1127 3.875,1128 7.435,1129 3.867,1130 3.927,1131 3.954,1132 3.875,1133 3.859,1134 7.424,1135 3.819,1136 3.846,1137 3.886,1138 3.792,1139 3.719,1140 6.999,1141 3.707,1142 3.667,1143 3.686,1144 3.621,1145 3.553,1146 4.886,1147 3.521,1148 3.604,1149 3.624,1150 3.518,1151 3.381,1152 4.753,1153 3.404,1154 3.447,1155 3.52,1156 3.298,1157 3.257,1158 4.473,1159 3.251,1160 3.311,1161 3.381,1162 3.244,1163 3.192,1164 4.34,1165 3.152,1166 0.11,1167 0.105,1168 0.172,1169 0.1,1170 0.079,1171 4.959,1172 0.106,1173 4.734,1174 0.055,1175 7.737,1176 0.311,1177 4.499,1178 0.073,1179 3.57,1180 4.791,1181 2.474,1182 13.99,1183 3.304,1184 2.092,1185 2.086,1186 2.148,1187 2.139,1188 1.434,1189 2.162,1190 1.93,1191 1.896,1192 2.083,1193 2.067,1194 1.324,1195 2.074,1196 1.843,1197 1.795,1198 2.016,1199 1.984,1200 1.227,1201 1.998,1202 1.717,1203 1.73,1204 1.859,1205 1.865,1206 1.205,1207 1.885,1208 1.615,1209 1.565,1210 1.813,1211 1.806,1212 1.07,1213 1.821,1214 1.53,1215 1.48,1216 1.72,1217 1.761,1218 0.949,1219 1.782,1220 1.444,1221 1.378,1222 1.661,1223 1.648,1224 0.904,1225 1.673,1226 1.379,1227 1.319,1228 1.611,1229 1.547,1230 0.825,1231 1.575,1232 4.511,1233 5.838,1234 2.398,1235 7.365,1236 4.595,1237 8.982,1238 6.629,1239 10.649,1241 1.74,1247 6.331,1249 5.214,1251 -0.984,1252 5.334,1257 49.308,1258 123.259,1259 269.333,1260 377.615,1261 438.635,1262 450.999,1263 454.999,1264 114.316,1265 8.488,1266 87.23,1267 95.61,1268 29,1269 12.995,1270 4.459,1271 3.755,1272 66.161,1273 203,1274 256,1275 0.15,1276 302.979,1277 536.72,1278 731.03,1279 69402,1281 28.821,1282 0.703,1283 0.597,1284 29.071,1285 24.469,1286 19.863,1287 0.441,1288 0.356,1289 14.549,1290 18.413,1291 14.13,1292 11.619,1293 20.651,1294 16.036,1295 17.852,1296 0.283,1297 0.202,1298 19.152,1299 12.753,1300 15.128,1301 0.18,1302 0.121,1303 16.443,1304 10.166,1305 12.475,1306 0.116,1307 0.072,1308 13.712,1309 7.735,1310 9.927,1311 0.074,1312 0.042,1313 11.133,1314 5.605,1315 0.237,1316 131.79,1317 0.182,1318 36.704,1319 0.41,1320 216,1321 610.473,1322 275.854,1323 600.902,1324 810.96,1325 558,1326 255,1327 556.395,1328 324.344,1329 595.799,1330 875.99,1331 562,1332 5}
{0 CHEMBL428576,1 1.51,2 14.455,3 4.123,4 16.998,5 132.826,6 6.907,7 0.333,8 4.287,9 4.409,10 3.919,11 3.854,12 5.208,13 3.783,14 4.9,15 5.089,16 4.244,17 4.282,18 5.95,19 4.183,20 5.221,21 5.448,22 4.335,23 4.475,24 6.142,25 4.328,26 5.338,27 5.582,28 4.302,29 4.434,30 6.358,31 4.304,32 5.26,33 5.5,34 4.164,35 4.354,36 6.428,37 4.226,38 5.148,39 5.392,40 4.126,41 4.357,42 6.008,43 4.191,44 5.194,45 5.445,46 4.084,47 4.324,48 6.12,49 4.151,50 5.159,51 5.419,52 3.88,53 4.159,54 6.156,55 4.015,56 0.104,57 1.002,58 19.097,59 7.044,60 15.604,61 9.413,62 0.446,63 1.683,64 32.54,65 11.872,66 58.596,67 16.36,68 0.409,69 2.168,70 49.722,71 17.242,72 55.445,73 22.723,74 0.63,75 2.213,76 57.162,77 17.643,78 97.49,79 23.51,80 0.931,81 1.989,82 48.467,83 15.561,84 166.352,85 21.28,86 0.386,87 1.923,88 44.059,89 15.875,90 61.485,91 21.414,92 0.429,93 1.969,94 51.667,95 16.887,96 69.201,97 21.848,98 0.708,99 1.743,100 46.813,101 13.557,102 109.617,103 18.476,104 27,105 51,106 0.239,107 0.516,108 0.711,109 0.799,110 0.815,111 0.815,112 3.531,113 1.122,114 -4.13,115 -4.07,116 -3.85,119 38.2,120 2,121 4,122 1,125 4,127 2,138 9,139 2,140 1,151 1,163 14,165 3,166 5,169 1,171 2,172 16,175 1,176 9,179 1,181 1,183 11,187 15,190 1,192 1,194 6,197 2,198 6,201 2,205 10,208 1,209 5,214 3,217 10,220 1,221 13,226 4,227 4,231 3,236 3,238 6,241 2,242 4,247 2,249 9,252 2082,253 21.979,254 21.979,255 21.979,256 21.979,257 21.979,258 20.159,259 29.81,260 12.884,261 22.319,262 17.748,263 17.748,264 17.748,265 17.748,266 17.748,267 14.917,268 39.487,269 6.09,270 18.316,271 4.577,272 2.822,273 1.593,274 1.033,275 0.934,276 0.934,277 4.222,283 1,284 1026,285 4.183,287 107.229,288 359.795,295 2.314,296 40.563,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 70.5,308 477,309 4.951,310 4.733,311 7.733,312 4.489,313 3.561,314 4.766,315 1.956,316 13.965,317 3.288,318 4.063,319 3.754,320 6.342,321 3.823,322 2.848,323 3.535,324 0.916,325 9.355,326 2.776,327 3.966,328 3.021,329 5.917,330 3.712,331 2.729,332 3.457,333 0.465,334 8.155,335 2.681,336 3.932,337 2.97,338 5.626,339 3.642,340 2.67,341 3.154,342 0.172,343 7.792,344 2.588,345 3.571,346 2.707,347 5.451,348 3.418,349 2.438,350 2.62,351 0.132,352 7.066,353 2.382,354 3.305,355 2.549,356 5.213,357 3.053,358 2.105,359 2.496,361 6.023,362 1.989,363 3.14,364 2.242,365 4.948,366 2.862,367 1.873,368 2.218,370 5.535,371 1.842,372 2.906,373 1.793,374 4.406,375 2.605,376 1.605,377 1.974,379 4.123,380 1.597,381 2.786,382 1.519,383 3.841,384 2.406,385 1.412,386 1.81,388 3.039,389 1.402,390 2.5,391 1.31,392 3.629,393 2.137,394 1.145,395 1.5,397 2.801,398 1.133,399 2.5,400 1.183,401 3.583,402 2,403 1,404 1.5,406 2.275,407 1,408 2.39,409 1.077,410 3.414,411 2,412 1,413 1.363,415 2.275,416 1,417 2,418 1,419 3.414,420 1.984,421 1,422 1,424 2.136,425 0.983,426 1.937,427 1,428 3.392,429 1.793,430 0.813,431 0.88,433 2.104,434 0.792,435 1.876,436 0.907,437 3.247,438 1.739,439 0.767,440 0.811,442 1.977,443 0.742,444 16.033,445 0.486,446 0.917,447 0.028,448 37,449 1.121,450 16.5,451 0.5,452 20.5,453 0.621,454 34.788,455 1.054,456 37.367,457 0.55,458 29.277,459 0.887,460 6.567,461 0.199,462 9.275,463 0.281,464 0.125,465 0.052,466 0.268,472 0.534,473 1.444,474 0.898,475 1.29,476 0.597,477 1.091,478 0.662,479 1.139,480 0.893,481 0.985,482 0.503,483 1.015,484 0.909,485 1.15,486 1.183,487 1.191,488 0.788,489 1.089,490 1.444,491 1.044,492 1.143,493 1.087,494 1.528,495 0.97,496 1.53,497 0.879,498 0.987,499 0.824,500 1.66,501 0.932,502 0.889,503 1.077,504 1.021,505 1.061,506 0.892,507 1.064,508 1.09,509 1.158,510 1.373,511 1.303,512 1.015,513 1.089,514 1.957,515 0.862,516 1.19,517 0.863,518 2.055,519 0.899,520 7.5,521 0.166,522 4.444,523 2.493,524 2.131,525 1.024,526 0.848,527 0.525,528 0.357,529 0.282,530 16695,531 36740,532 2.054,533 51.5,534 7,535 19,538 1,540 4,541 4,542 1.749,543 1.913,544 3.779,545 -0.382,550 102.701,551 1.51,552 3.265,553 4.495,554 5.054,555 5.153,556 5.153,557 3.283,558 4.294,559 5.01,560 3.969,561 2095.5,562 8.76,563 32244.1,568 413.947,569 1.554,570 4.964,571 0.208,572 0.006,573 0.087,574 0.048,575 0.043,576 0.023,577 0.02,578 0.013,579 0.011,580 0.009,581 0.468,582 0.33,583 0.88,584 0.718,585 177.682,586 0.114,587 -0.169,588 0.204,589 -0.064,590 -0.087,591 0.017,592 0.232,593 0.027,594 0.075,595 0.041,596 0.198,597 -0.003,598 0.013,599 -0.061,600 -0.039,601 -0.089,602 0.024,603 -0.077,604 -0.077,605 -0.05,606 -0.023,607 -0.07,608 -0.091,609 -0.01,610 0.014,611 0.079,612 -0.047,613 0.073,614 0.039,615 -0.001,616 -0.009,617 -0.065,618 -0.014,619 -0.038,620 -0.041,621 -0.06,622 -0.035,623 -0.138,624 -0.126,625 -0.172,626 0.027,627 -0.088,628 -0.295,629 0.074,630 -0.139,631 0.058,632 -0.247,633 0.014,634 4.612,635 6.279,636 0.697,637 41.989,638 0.993,639 1.128,640 2.897,641 8.394,642 0.65,643 3.611,644 3.951,645 4.205,646 4.419,647 4.585,648 4.615,649 4.736,650 4.754,651 4.836,652 4.92,653 8.212,654 0.6,655 469.71,656 3.611,657 5.165,658 6.014,659 6.895,660 7.762,661 8.647,662 9.523,663 10.412,664 11.294,665 12.186,666 4.4,669 2,673 1,681 9,686 3,688 12,703 68,705 15,706 2,707 36,709 71,710 26,711 12,712 3,713 9,717 4,718 4,721 2,724 6,727 6,729 13,730 13,731 1,733 3,736 1,737 3,741 1,747 35,748 6,749 1,750 7,751 1,755 3,760 1,761 3,773 1,775 1,776 3,783 1,792 1,796 4,799 1,801 2,805 33,808 1,810 8,811 1,814 3,815 2,825 4.4,828 3,832 17.25,833 12.317,834 7.167,835 4.41,836 1.847,837 1.236,838 0.966,839 7.655,840 9.682,841 3.829,842 4.369,843 4.804,844 5.22,845 5.636,846 5.695,847 5.946,848 5.766,849 5.937,850 6.086,851 0.9,852 52,853 12.646,854 5.725,855 7.715,856 24.232,857 20.862,859 2.215,860 73.083,864 400.217,865 139.932,866 22.654,868 69.458,870 5.807,871 134.124,872 469.675,873 22.654,874 17.65,875 36.572,876 91.094,877 74.163,878 12.565,880 400.217,882 400.217,883 156.778,884 69.458,885 5.807,887 306.049,888 163.627,891 58.865,892 97.913,893 5.807,895 400.217,896 92.112,897 139.932,899 5.807,900 400.217,901 31.187,902 107.58,903 18.011,904 69.458,905 400.217,906 92.112,907 139.932,909 0.589,910 0.343,911 0.175,912 0.09,913 24,914 11,915 0.099,916 7,918 1,919 4.414,920 298.958,922 23,923 150.465,927 1,928 24.097,929 10.483,930 5.726,932 92.112,933 17.487,938 2.664,940 18.011,941 632.261,942 45,945 -3.695,946 39.644,950 -0.156,952 67.501,953 76.686,954 0.248,955 0.536,956 0.738,957 0.83,958 0.847,959 0.847,960 5.094,961 1.605,962 6.028,963 5.535,964 4.635,965 5.056,966 2.242,967 6.88,968 4.569,969 6.291,970 1.412,971 7.624,972 4.123,973 4.369,974 5.047,975 1.668,976 8.102,977 4.224,978 7.618,979 1.145,980 9.341,981 3.039,982 6.304,983 7.24,984 3.075,985 11.19,986 6.139,987 8.99,988 1,989 11.136,990 2.801,991 6.889,992 8.116,993 3.135,994 13.326,995 6.619,996 10.407,997 1,998 12.988,999 2.275,1000 8.336,1001 9.867,1002 4.217,1003 16.058,1004 8.035,1005 11.856,1006 1,1007 14.881,1008 2.275,1009 9.291,1010 11.126,1011 4.564,1012 18.525,1013 8.878,1014 13.333,1015 0.813,1016 16.807,1017 2.136,1018 10.58,1019 12.74,1020 5.468,1021 21.181,1022 10.114,1023 3.561,1024 0.767,1025 18.758,1026 2.104,1027 11.701,1028 14.167,1029 5.961,1030 23.759,1031 11.126,1032 2.848,1033 13.965,1034 20.729,1035 1.977,1036 12.949,1037 15.739,1038 6.764,1039 26.399,1040 12.301,1041 2.729,1042 9.355,1043 22.716,1044 4.766,1045 14.145,1046 17.24,1047 7.335,1048 29.015,1049 13.394,1050 2.67,1051 8.155,1052 24.716,1053 3.535,1054 15.388,1055 18.801,1056 8.08,1057 31.652,1058 14.554,1059 2.438,1060 7.792,1061 26.725,1062 3.457,1063 16.619,1064 20.334,1065 8.695,1066 34.281,1067 15.687,1068 2.105,1069 7.066,1070 28.743,1071 3.154,1072 17.869,1073 21.893,1074 9.407,1075 36.917,1076 16.849,1077 1.873,1078 6.023,1079 30.766,1080 2.62,1081 19.117,1082 23.441,1083 10.046,1084 39.551,1085 18.004,1086 15895,1087 23785,1088 23.75,1089 44.211,1090 54.382,1091 55.766,1092 55.403,1093 54.406,1094 54.345,1095 66.62,1096 7.282,1097 158.25,1098 52.789,1099 5.951,1100 6.733,1101 7.535,1102 5.558,1103 5.561,1104 7.766,1105 3.423,1106 22.344,1107 5.288,1108 17.086,1109 1.511,1110 1.549,1111 1.539,1112 1.511,1113 1.51,1114 1.851,1115 0.202,1116 4.396,1117 1.466,1118 4.123,1119 4.118,1120 4.745,1121 4.095,1122 7.715,1123 4.017,1124 3.949,1125 3.992,1126 3.872,1127 3.866,1128 7.428,1129 3.858,1130 3.859,1131 3.902,1132 3.786,1133 3.75,1134 6.999,1135 3.742,1136 3.792,1137 3.842,1138 3.732,1139 3.671,1140 4.759,1141 3.656,1142 3.619,1143 3.641,1144 3.6,1145 3.521,1146 4.696,1147 3.473,1148 3.374,1149 3.435,1150 3.256,1151 3.222,1152 4.357,1153 3.178,1154 3.333,1155 3.361,1156 3.229,1157 3.125,1158 4.211,1159 3.134,1160 3.141,1161 3.206,1162 2.999,1163 2.963,1164 4.108,1165 2.966,1166 0.138,1167 0.131,1168 0.215,1169 0.125,1170 0.099,1171 4.951,1172 0.132,1173 4.733,1174 0.054,1175 7.733,1176 0.388,1177 4.489,1178 0.091,1179 3.561,1180 4.766,1181 1.956,1182 13.965,1183 3.288,1184 1.989,1185 1.991,1186 2.078,1187 2.068,1188 1.414,1189 2.092,1190 1.928,1191 1.892,1192 2.062,1193 2.049,1194 1.288,1195 2.069,1196 1.808,1197 1.754,1198 1.99,1199 1.95,1200 1.216,1201 1.966,1202 1.675,1203 1.663,1204 1.856,1205 1.836,1206 1.137,1207 1.867,1208 1.601,1209 1.545,1210 1.789,1211 1.773,1212 1.103,1213 1.804,1214 1.457,1215 1.391,1216 1.657,1217 1.656,1218 0.89,1219 1.678,1220 1.256,1221 1.204,1222 1.513,1223 1.493,1224 0.825,1225 1.506,1226 1.153,1227 1.101,1228 1.493,1229 1.376,1230 0.729,1231 1.429,1232 4.29,1233 5.624,1234 2.398,1235 7.149,1236 4.595,1237 8.757,1238 6.629,1239 10.41,1241 4.16,1247 6.208,1248 3.151,1251 -0.187,1252 3.808,1257 40.824,1258 102.701,1259 222.038,1260 305.644,1261 343.683,1262 350.438,1263 350.438,1264 85.229,1265 7.835,1266 69.72,1267 78.1,1268 23,1269 12.716,1270 4,1271 3.322,1272 54.641,1273 160,1274 173,1275 0.163,1276 253.609,1277 446.52,1278 610.565,1279 31341,1281 23.424,1282 0.71,1283 0.619,1284 23.674,1285 20.429,1286 15.841,1287 0.44,1288 0.374,1289 12.038,1290 14.64,1291 11.582,1292 9.609,1293 16.63,1294 13.468,1295 14.718,1296 0.289,1297 0.224,1298 16.018,1299 11.433,1300 12.086,1301 0.183,1302 0.133,1303 13.413,1304 8.765,1305 9.724,1306 0.119,1307 0.079,1308 10.967,1309 6.481,1310 7.396,1311 0.076,1312 0.047,1313 8.5,1314 4.55,1315 0.262,1316 106.048,1317 0.205,1318 31.206,1319 0.428,1320 174,1321 443.69,1322 227.292,1323 450.497,1324 609.93,1325 416,1326 204,1327 415.107,1328 267.417,1329 458.842,1330 671.18,1331 431,1332 5}
{0 CHEMBL428932,1 1.392,2 14.515,3 3.61,4 13.029,5 131.11,6 6.9,7 0.459,8 4.238,9 4.363,10 3.752,11 3.819,12 5.231,13 3.775,14 4.822,15 5.003,16 4.111,17 4.246,18 5.762,19 4.172,20 5.152,21 5.385,22 4.166,23 4.402,24 6.052,25 4.289,26 5.208,27 5.46,28 4.116,29 4.337,30 6.168,31 4.224,32 5.121,33 5.357,34 4.064,35 4.282,36 6.2,37 4.175,38 5.092,39 5.33,40 4.017,41 4.3,42 6.009,43 4.173,44 5.146,45 5.411,46 3.942,47 4.283,48 5.989,49 4.133,50 5.065,51 5.336,52 3.815,53 4.159,54 5.935,55 4.007,56 0.047,57 0.908,58 14.097,59 6.141,60 7.982,61 8.431,62 0.271,63 1.57,64 26.853,65 10.343,66 23.814,67 14.704,68 0.373,69 2.031,70 39.124,71 14.578,72 43.273,73 20.765,74 0.448,75 2.028,76 42.785,77 14.965,78 60.67,79 21.036,80 0.603,81 1.843,82 39.328,83 13.676,84 103.869,85 18.927,86 0.365,87 1.848,88 37.223,89 13.907,90 56.362,91 19.607,92 0.36,93 1.911,94 39.896,95 14.789,96 50.032,97 21.08,98 0.352,99 1.721,100 37.219,101 13.458,102 56.179,103 19.145,104 5,105 51,106 0.221,107 0.512,108 0.683,109 0.818,110 0.849,111 0.859,112 3.532,113 0.976,114 -4.82,115 -4.73,116 -4.44,119 43.8,121 4,125 4,127 2,138 12,139 4,151 2,163 18,165 1,166 7,169 1,171 2,172 21,175 1,176 7,179 1,181 1,183 15,187 11,190 1,192 1,194 10,197 1,198 8,201 1,203 1,205 12,208 1,209 6,214 3,217 10,220 1,221 7,226 4,227 8,231 4,236 4,238 8,241 1,242 6,247 3,249 7,252 2068,253 22.792,254 22.792,255 22.792,256 22.792,257 22.792,258 20.577,259 24.249,260 13.603,261 23.012,262 18.293,263 18.293,264 18.293,265 18.293,266 18.293,267 14.956,268 35.652,269 6.496,270 18.63,271 4.608,272 2.779,273 1.701,274 0.849,275 0.656,276 0.594,277 4.242,283 1,284 1067,285 3.464,287 98.663,288 418.052,292 156.36,295 2.349,296 28.327,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 69.5,308 479,309 4.461,310 3.874,311 6.733,312 4.138,313 3.164,314 4.354,315 1.96,316 10.882,317 3.085,318 4.227,319 3.572,320 6.214,321 3.899,322 2.905,323 3.544,324 1.197,325 9.289,326 2.88,327 3.943,328 3.019,329 5.927,330 3.69,331 2.73,332 3.457,333 0.916,334 8.185,335 2.629,336 3.869,337 2.877,338 5.617,339 3.556,340 2.56,341 3.132,342 0.357,343 7.764,344 2.546,345 3.568,346 2.61,347 5.376,348 3.391,349 2.397,350 2.625,351 0.172,352 7.006,353 2.373,354 3.272,355 2.495,356 5.048,357 3.044,358 2.095,359 2.427,360 0.127,361 5.981,362 1.981,363 3.118,364 2.238,365 4.884,366 2.785,367 1.795,368 2.403,370 5.261,371 1.764,372 3.059,373 1.904,374 4.425,375 2.618,376 1.618,377 2.175,379 4.37,380 1.618,381 2.901,382 1.618,383 4.047,384 2.47,385 1.463,386 2.043,388 3.318,389 1.47,390 2.803,391 1.519,392 3.625,393 2.406,394 1.412,395 1.878,397 3.036,398 1.402,399 2.623,400 1.379,401 3.591,402 2.268,403 1.265,404 1.573,406 2.925,407 1.265,408 2.5,409 1.278,410 3.468,411 2,412 1,413 1.5,415 2.275,416 1,417 2.155,418 1.115,419 3.414,420 1.984,421 1,422 1.002,424 2.136,425 0.983,426 2,427 1.077,428 3.335,429 1.776,430 0.789,431 1,433 2.002,434 0.773,435 1.896,436 1,437 3.247,438 1.718,439 0.722,440 0.827,442 1.711,443 0.718,444 15.867,445 0.481,446 0.674,447 0.02,448 40,449 1.212,450 19,451 0.576,452 21,453 0.636,454 30.657,455 0.929,456 35.133,457 0.549,458 30.269,459 0.917,460 7.686,461 0.233,462 8.484,463 0.257,464 0.042,466 0.303,472 0.677,473 1.284,474 0.843,475 1.072,476 0.51,477 0.986,478 0.78,479 1.15,480 1.001,481 1.042,482 0.531,483 1.033,484 0.955,485 1.059,486 1.031,487 1.049,488 0.832,489 1.041,490 1.448,491 0.974,492 1.012,493 0.951,494 1.526,495 0.936,496 1.63,497 0.938,498 1.088,499 0.906,500 1.794,501 0.94,502 1.133,503 1.081,504 1.075,505 1.068,506 1.14,507 1.066,508 1.03,509 0.993,510 1.014,511 1.014,512 1.005,513 1.012,514 1.226,515 0.994,516 1.005,517 0.965,518 1.293,519 0.966,520 5.5,521 0.182,522 3.333,523 1.681,524 1.979,525 0.809,526 0.656,527 0.504,528 0.294,529 0.188,530 18126,531 38778,532 2.168,533 48.4,535 22,538 1,540 4,541 4,542 1.748,543 2.084,544 3.804,545 -0.442,550 89.059,551 1.392,552 3.221,553 4.299,554 5.151,555 5.344,556 5.406,557 3.268,558 4.537,559 5.013,560 3.976,561 2099.39,562 8.758,563 32467.4,565 1,568 384,569 1.182,570 4.999,571 0.149,572 0.007,573 0.065,574 0.033,575 0.042,576 0.018,577 0.015,578 0.013,579 0.009,580 0.006,581 0.356,582 0.33,583 0.88,584 0.398,585 177.97,586 0.003,587 -0.116,588 0.064,589 -0.012,590 0.001,591 0.023,592 0.072,593 -0.011,594 -0.053,595 -0.045,596 0.039,597 -0.059,598 0.019,599 -0.02,600 -0.051,601 -0.074,602 0.008,603 -0.069,604 -0.067,605 0.008,606 0.016,608 -0.082,609 0.016,610 -0.025,611 0.045,612 -0.048,613 0.05,614 0.005,615 0.005,616 -0.034,617 -0.084,618 -0.084,619 -0.089,620 -0.028,621 -0.092,622 -0.022,623 -0.029,624 -0.019,625 -0.045,626 -0.017,627 -0.033,628 -0.071,629 -0.053,630 0.007,631 -0.003,632 -0.068,633 0.007,634 1.712,635 6.254,636 0.818,637 40.707,638 0.99,639 1.121,640 3.589,641 12.88,642 0.665,643 3.638,644 3.951,645 4.234,646 4.489,647 4.691,648 4.7,649 4.836,650 4.977,651 5.081,652 5.106,653 8.269,654 0.623,655 441.62,656 3.638,657 5.176,658 6.028,659 6.899,660 7.763,661 8.637,662 9.508,663 10.384,664 11.258,665 12.136,666 4.7,669 1,673 2,680 2,681 12,686 2,688 17,693 1,703 64,705 19,706 3,707 37,709 68,710 28,711 16,712 4,713 12,714 1,717 5,718 6,724 6,727 6,729 18,730 10,733 2,737 2,741 2,747 31,748 5,749 1,750 5,755 3,760 0.8,761 2,773 1,775 1,776 4,780 1,783 1,792 1,796 4,805 33,810 8,811 1,814 2,815 2,825 3.1,828 2,832 15.833,833 11.15,834 7.222,835 4.135,836 3.027,837 1.367,838 1,839 6.637,840 11.273,841 3.882,842 4.419,843 4.956,844 5.475,845 6,846 6.166,847 6.53,848 6.856,849 7.178,850 7.029,851 0.9,852 51,853 12.348,854 5.377,855 7.596,856 24.199,857 20.766,859 2.096,860 69.167,864 353.133,865 153.202,866 24.259,868 50.29,871 153.202,872 403.423,873 24.259,875 39.696,876 113.715,877 59.699,878 14.641,880 353.133,882 353.133,883 177.462,884 50.29,887 258.964,888 144.459,891 42.82,892 134.641,895 353.133,896 74.549,897 153.202,900 353.133,901 39.487,902 119.964,903 18.011,904 50.29,905 353.133,906 74.549,907 153.202,909 0.578,910 0.342,911 0.187,912 0.099,913 25,914 10,915 0.074,916 5,917 1,918 1.074,919 4.576,920 303.89,921 0.074,922 27,923 158.465,928 21.973,929 9.967,930 5.065,931 2.161,932 74.549,933 24.358,938 1.983,940 18.011,941 580.885,942 47.5,946 26.38,950 -0.042,952 63.33,953 71.727,954 0.232,955 0.537,956 0.716,957 0.858,958 0.891,959 0.901,960 5.119,961 1.618,962 5.994,963 5.261,964 4.635,965 5.106,966 2.483,967 6.783,968 4.6,969 6.285,970 1.463,971 7.535,972 4.37,973 4.111,974 4.758,975 1.738,976 7.624,977 4.052,978 7.566,979 1.412,980 9.178,981 3.318,982 6.205,983 7.207,984 3.231,985 10.736,986 6.127,987 8.879,988 1.265,989 10.881,990 3.036,991 6.538,992 7.724,993 3.182,994 12.434,995 6.435,996 10.227,997 1,998 12.626,999 2.925,1000 8.055,1001 9.638,1002 4.298,1003 15.048,1004 7.935,1005 11.598,1006 1,1007 14.398,1008 2.275,1009 8.79,1010 10.589,1011 4.596,1012 17.106,1013 8.644,1014 12.987,1015 0.789,1016 16.192,1017 2.136,1018 10.068,1019 12.267,1020 5.515,1021 19.554,1022 9.904,1023 3.164,1024 0.722,1025 18.001,1026 2.002,1027 10.999,1028 13.454,1029 5.988,1030 21.776,1031 10.809,1032 2.905,1033 10.882,1034 19.823,1035 1.711,1036 12.176,1037 15.017,1038 6.799,1039 24.168,1040 11.967,1041 2.73,1042 9.289,1043 21.655,1044 4.354,1045 13.203,1046 16.334,1047 7.363,1048 26.468,1049 12.969,1050 2.56,1051 8.185,1052 23.496,1053 3.544,1054 14.341,1055 17.842,1056 8.113,1057 28.844,1058 14.085,1059 2.397,1060 7.764,1061 25.344,1062 3.457,1063 15.417,1064 19.229,1065 8.727,1066 31.181,1067 15.135,1068 2.095,1069 7.006,1070 27.198,1071 3.132,1072 16.542,1073 20.712,1074 9.443,1075 33.555,1076 16.238,1077 1.795,1078 5.981,1079 29.058,1080 2.625,1081 17.643,1082 22.137,1083 10.083,1084 35.913,1085 17.313,1086 16607,1087 24429,1088 25.542,1089 42.586,1090 55.535,1091 57.208,1092 56.196,1093 55.276,1094 55.244,1095 69.617,1096 9.46,1097 155.76,1098 54.386,1099 5.461,1100 5.874,1101 6.535,1102 5.181,1103 5.164,1104 7.354,1105 3.435,1106 18.258,1107 5.085,1108 10.381,1109 1.501,1110 1.546,1111 1.519,1112 1.494,1113 1.493,1114 1.882,1115 0.256,1116 4.21,1117 1.47,1118 4.1,1119 4.123,1120 4.052,1121 4.052,1122 7.432,1123 4.049,1124 3.959,1125 4.007,1126 3.874,1127 3.868,1128 7.423,1129 3.862,1130 3.881,1131 3.926,1132 3.801,1133 3.74,1134 4.89,1135 3.747,1136 3.783,1137 3.84,1138 3.669,1139 3.643,1140 4.755,1141 3.641,1142 3.511,1143 3.542,1144 3.435,1145 3.423,1146 4.362,1147 3.418,1148 3.361,1149 3.43,1150 3.251,1151 3.127,1152 4.302,1153 3.145,1154 3.142,1155 3.206,1156 3.024,1157 2.992,1158 4.205,1159 2.988,1160 3.117,1161 3.199,1162 2.997,1163 2.963,1164 3.915,1165 2.966,1166 0.121,1167 0.105,1168 0.182,1169 0.112,1170 0.086,1171 4.461,1172 0.118,1173 3.874,1174 0.053,1175 6.733,1176 0.294,1177 4.138,1178 0.083,1179 3.164,1180 4.354,1181 1.96,1182 10.882,1183 3.085,1184 2.075,1185 2.058,1186 2.157,1187 2.131,1188 1.413,1189 2.14,1190 1.928,1191 1.892,1192 2.078,1193 2.063,1194 1.288,1195 2.072,1196 1.808,1197 1.753,1198 1.99,1199 1.951,1200 1.216,1201 1.966,1202 1.622,1203 1.581,1204 1.856,1205 1.815,1206 1.136,1207 1.81,1208 1.582,1209 1.53,1210 1.738,1211 1.762,1212 0.993,1213 1.778,1214 1.418,1215 1.363,1216 1.61,1217 1.583,1218 0.825,1219 1.594,1220 1.236,1221 1.163,1222 1.513,1223 1.465,1224 0.731,1225 1.479,1226 1.153,1227 1.064,1228 1.494,1229 1.376,1230 0.702,1231 1.429,1232 4.317,1233 5.631,1234 2.398,1235 7.141,1236 4.595,1237 8.736,1238 6.605,1239 10.373,1247 7.046,1248 3.252,1251 -0.186,1252 4.215,1257 39.869,1258 89.059,1259 206.147,1260 275.106,1261 329.635,1262 342,1263 346,1264 61.353,1265 8.246,1266 52.65,1267 52.65,1268 29,1269 12.674,1270 4.322,1271 3.524,1272 48.105,1273 162,1274 173,1275 0.14,1276 241.49,1277 422.64,1278 580.997,1279 54814,1281 22.623,1282 0.686,1283 0.574,1284 22.623,1285 18.951,1286 16.17,1287 0.437,1288 0.325,1289 11.932,1290 15.781,1291 11.7,1292 9.637,1293 16.17,1294 12.037,1295 14.335,1296 0.281,1297 0.182,1298 14.335,1299 9.263,1300 12.418,1301 0.183,1302 0.103,1303 12.418,1304 6.996,1305 10.411,1306 0.118,1307 0.058,1308 10.411,1309 5.145,1310 8.362,1311 0.077,1312 0.033,1313 8.362,1314 3.559,1315 0.226,1316 99.732,1317 0.198,1318 31.286,1319 0.367,1320 176,1321 425.094,1322 187.312,1323 417.216,1324 573.98,1325 392,1326 207,1327 419.526,1328 219.395,1329 428.059,1330 627.69,1331 405,1332 4.538}
{0 CHEMBL43092,1 1.714,2 15.762,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.474,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.039,19 4.353,20 5.283,21 5.481,22 4.574,23 4.596,24 6.287,25 4.477,26 5.333,27 5.55,28 4.627,29 4.588,30 6.343,31 4.456,32 5.334,33 5.557,34 4.674,35 4.534,36 6.501,37 4.411,38 5.291,39 5.517,40 4.506,41 4.477,42 6.359,43 4.37,44 5.256,45 5.458,46 4.555,47 4.445,48 6.49,49 4.357,50 5.186,51 5.364,52 4.568,53 4.43,54 6.488,55 4.332,56 0.066,57 1.081,58 14.293,59 7.216,60 10.228,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 40.653,67 15.831,68 0.77,69 2.236,70 52.568,71 18.103,72 81.19,73 22.151,74 0.718,75 2.342,76 59.659,77 19.431,78 90.254,79 23.971,80 1.046,81 2.253,82 65.26,83 19.153,84 141.71,85 24.009,86 0.721,87 2.147,88 53.811,89 17.78,90 93.357,91 22.015,92 1.034,93 2.005,94 57.176,95 16.614,96 132.651,97 19.527,98 1.024,99 1.9,100 52.002,101 16.433,102 153.473,103 19.168,104 26,105 63,106 0.263,107 0.559,108 0.75,109 0.851,110 0.87,111 0.878,112 3.765,113 1.03,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 4,169 2,171 3,172 23,175 2,176 5,179 1,181 2,183 17,187 4,190 1,192 4,194 11,197 3,198 11,201 3,203 5,205 9,208 1,209 7,214 5,217 4,220 1,221 11,224 1,226 2,227 10,230 1,231 8,234 2,235 1,236 3,238 8,241 2,242 11,247 3,249 7,252 4460,253 28.43,254 28.43,255 28.43,256 28.43,257 28.43,258 25.952,259 32.021,260 17.093,261 29.27,262 22.764,263 22.764,264 22.764,265 22.764,266 22.764,267 18.892,268 37.81,269 8.202,270 24.164,271 4.534,272 2.606,273 1.362,274 0.704,275 0.579,276 0.526,277 4.468,279 2,283 1,284 1437,285 4.416,287 131.267,288 587.673,292 229.137,295 2.739,296 52.074,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 662,309 4.493,310 4.786,311 6.822,312 4.17,313 3.244,314 4.43,315 3.784,316 11.278,317 3.028,318 4.39,319 3.653,320 6.506,321 4.03,322 3.031,323 3.872,324 1.963,325 10.196,326 2.998,327 4.087,328 3.615,329 5.989,330 3.689,331 2.742,332 3.397,333 1.909,334 8.501,335 2.592,336 3.708,337 3.505,338 5.464,339 3.454,340 2.525,341 2.946,342 1.859,343 7.112,344 2.404,345 3.604,346 3.216,347 5.34,348 3.424,349 2.454,350 2.832,351 0.901,352 6.965,353 2.31,354 3.517,355 3.103,356 5.225,357 3.279,358 2.293,359 2.755,360 0.86,361 6.352,362 2.247,363 3.485,364 3.03,365 5.176,366 3.11,367 2.157,368 2.625,369 0.8,370 6.3,371 2.066,372 3.408,373 2.885,374 4.983,375 3.018,376 2.027,377 2.519,378 0.561,379 5.802,380 1.896,381 3.232,382 2.623,383 4.721,384 2.707,385 1.879,386 2.481,387 0.215,388 4.963,389 1.618,390 3.118,391 2.29,392 4.618,393 2.618,394 1.679,395 2.427,397 4.842,398 1.537,399 2.773,400 2.176,401 4.255,402 2.6,403 1.618,404 1.904,406 3.793,407 1.441,408 2.754,409 1.961,410 4.16,411 2.473,412 1.559,413 1.758,415 3.448,416 1.413,417 2.611,418 1.795,419 3.715,420 2.275,421 1.276,422 1.604,424 3.308,425 1.274,426 2.524,427 1.678,428 3.599,429 2.179,430 1.26,431 1.455,433 2.847,434 1.138,435 2.402,436 1.618,437 3.476,438 2.09,439 1.168,440 1.356,442 2.704,443 1.041,444 20.695,445 0.493,446 0.976,447 0.023,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.152,455 1.123,456 45.905,457 0.604,458 40.773,459 0.971,460 9.203,461 0.219,462 11.165,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.52,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.574,483 0.946,484 1.046,485 0.975,486 1.016,487 0.991,488 1.055,489 1.01,490 0.918,491 1.094,492 0.855,493 1.037,494 1.098,495 1,496 0.756,497 1.057,498 0.779,499 0.989,500 0.872,501 0.949,502 1.144,503 1.004,504 0.839,505 0.893,506 1.313,507 0.868,508 1.5,509 0.879,510 1.139,511 0.933,512 1.72,513 0.91,514 1.195,515 1.083,516 1.11,517 1.131,518 1.578,519 1.048,520 8,521 0.356,522 4,523 3.076,524 2.295,525 1.404,526 1.115,527 0.712,528 0.534,529 0.417,530 32589,531 91410,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.864,545 0.149,550 130.289,551 1.714,552 3.642,553 4.886,554 5.544,555 5.669,556 5.722,557 3.358,558 5.059,559 5.358,560 4.13,561 3555.85,562 9.495,563 66638,568 474.842,569 1.351,570 5.33,571 0.174,572 0.006,573 0.063,574 0.048,575 0.038,576 0.023,577 0.019,578 0.012,579 0.009,580 0.007,581 0.4,582 0.17,583 0.63,584 0.494,585 243.076,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.013,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.023,597 -0.007,598 -0.088,599 0.072,600 -0.073,601 0.015,602 -0.109,603 -0.039,604 -0.021,605 -0.067,606 0.077,607 -0.008,608 -0.048,609 -0.01,610 0.237,611 -0.058,612 0.186,613 0.008,614 0.222,615 0.034,616 -0.076,617 -0.008,618 0.068,619 0.077,620 -0.062,621 0.099,622 -0.117,623 0.119,624 -0.051,625 0.041,626 -0.058,627 0.029,628 0.109,629 -0.079,630 -0.026,631 -0.092,632 0.099,633 -0.087,634 1.977,635 6.576,636 0.643,637 62.971,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.407,646 4.682,647 4.89,648 4.927,649 5.037,650 5.13,651 5.187,652 5.215,653 9.408,654 0.648,655 629.66,656 3.85,657 5.389,658 6.229,659 7.101,660 7.96,661 8.839,662 9.709,663 10.594,664 11.47,665 12.358,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.25,835 4.588,836 2.76,837 1.33,838 0.971,839 11.046,840 11.133,841 4.069,842 4.595,843 5.083,844 5.609,845 6.109,846 6.274,847 6.557,848 6.85,849 7.128,850 6.915,851 0.909,852 64,853 15.727,854 6.828,855 7.791,856 30.012,857 25.067,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.575,910 0.329,911 0.184,912 0.102,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.202,920 415.238,921 0.074,922 27,923 214.477,924 1,928 31.111,929 14.912,930 8.41,931 2.176,932 128.705,933 19.107,938 2.596,940 36.022,941 770.18,942 57.5,946 39.509,950 -0.735,952 76.578,953 85.282,954 0.274,955 0.583,956 0.782,957 0.887,958 0.907,959 0.916,960 5.314,961 2.027,962 6.201,963 6.3,964 4.844,965 5.283,966 3.944,967 6.987,968 4.734,969 6.484,970 1.879,971 7.74,972 5.802,973 4.369,974 5.047,975 2.909,976 7.83,977 4.189,978 7.769,979 1.679,980 9.381,981 4.963,982 6.409,983 7.377,984 6.086,985 10.955,986 6.212,987 9.086,988 1.618,989 11.083,990 4.842,991 6.758,992 7.973,993 5.238,994 12.682,995 6.502,996 10.437,997 1.559,998 12.827,999 3.793,1000 8.26,1001 9.815,1002 8.608,1003 15.326,1004 7.98,1005 11.811,1006 1.276,1007 14.602,1008 3.448,1009 9.016,1010 10.832,1011 7.914,1012 17.438,1013 8.678,1014 13.205,1015 1.26,1016 16.4,1017 3.308,1018 10.295,1019 12.47,1020 11.213,1021 19.919,1022 9.926,1023 3.244,1024 1.168,1025 18.217,1026 2.847,1027 11.254,1028 13.709,1029 10.72,1030 22.195,1031 10.828,1032 3.031,1033 11.278,1034 20.049,1035 2.704,1036 12.443,1037 15.255,1038 13.839,1039 24.621,1040 11.979,1041 2.742,1042 10.196,1043 21.894,1044 4.43,1045 13.502,1046 16.61,1047 13.531,1048 26.968,1049 12.98,1050 2.525,1051 8.501,1052 23.748,1053 3.872,1054 14.66,1055 18.115,1056 16.47,1057 29.376,1058 14.094,1059 2.454,1060 7.112,1061 25.612,1062 3.397,1063 15.766,1064 19.53,1065 16.323,1066 31.755,1067 15.144,1068 2.293,1069 6.965,1070 27.482,1071 2.946,1072 16.916,1073 21.017,1074 19.103,1075 34.16,1076 16.244,1077 2.157,1078 6.352,1079 29.359,1080 2.832,1081 18.047,1082 22.463,1083 19.094,1084 36.554,1085 17.319,1086 30513,1087 51388,1088 30.917,1089 52.387,1090 68.507,1091 73.404,1092 69.68,1093 68.483,1094 68.104,1095 83.896,1096 25.703,1097 191.097,1098 64.023,1099 5.493,1100 6.786,1101 6.624,1102 5.31,1103 5.244,1104 7.43,1105 7.434,1106 18.663,1107 5.028,1108 19.792,1109 1.489,1110 1.596,1111 1.515,1112 1.489,1113 1.481,1114 1.824,1115 0.559,1116 4.154,1117 1.392,1118 4.097,1119 4.12,1120 4.16,1121 4.057,1122 7.435,1123 4.051,1124 3.975,1125 3.997,1126 4.039,1127 3.927,1128 7.427,1129 3.906,1130 3.83,1131 3.89,1132 3.968,1133 3.679,1134 7.422,1135 3.666,1136 3.77,1137 3.797,1138 3.708,1139 3.616,1140 5.018,1141 3.619,1142 3.643,1143 3.697,1144 3.582,1145 3.439,1146 4.896,1147 3.449,1148 3.54,1149 3.593,1150 3.555,1151 3.402,1152 4.632,1153 3.4,1154 3.442,1155 3.49,1156 3.494,1157 3.276,1158 4.628,1159 3.283,1160 3.322,1161 3.368,1162 3.346,1163 3.145,1164 4.348,1165 3.141,1166 0.098,1167 0.104,1168 0.148,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.786,1174 0.082,1175 6.822,1176 0.245,1177 4.17,1178 0.066,1179 3.244,1180 4.43,1181 3.784,1182 11.278,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.987,1193 2.004,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.961,1200 1.176,1201 1.971,1202 1.659,1203 1.626,1204 1.826,1205 1.868,1206 1.106,1207 1.858,1208 1.587,1209 1.533,1210 1.795,1211 1.819,1212 1.087,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.681,1218 0.869,1219 1.684,1220 1.433,1221 1.379,1222 1.633,1223 1.605,1224 0.825,1225 1.631,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.483,1232 4.533,1233 5.844,1234 2.398,1235 7.339,1236 4.844,1237 8.923,1238 7.018,1239 10.558,1242 12.552,1247 5.694,1248 5.914,1249 5.379,1250 1.339,1251 -1.141,1252 3.831,1257 49.216,1258 130.289,1259 276.787,1260 371.359,1261 421.333,1262 430.842,1263 434.842,1264 108.56,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.891,1270 4.392,1271 3.644,1272 68.701,1273 228,1274 272,1275 0.137,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.368,1287 0.443,1288 0.343,1289 14.055,1290 18.643,1291 13.647,1292 11.135,1293 21.354,1294 15.791,1295 18.307,1296 0.291,1297 0.2,1298 19.739,1299 12.583,1300 14.781,1301 0.182,1302 0.115,1303 16.128,1304 9.34,1305 12.627,1306 0.118,1307 0.068,1308 14.386,1309 7.279,1310 10.136,1311 0.077,1312 0.039,1313 11.52,1314 5.084,1315 0.219,1316 137.433,1317 0.18,1318 37.884,1319 0.365,1320 218,1321 650.165,1322 293.01,1323 698.455,1324 912.32,1325 652,1326 253,1327 576.99,1328 316.063,1329 613.47,1330 901.66,1331 578,1332 5.046}
{0 CHEMBL43143,1 1.757,2 15.051,3 3.024,4 9.142,5 155.101,6 8.063,7 0.262,8 4.39,9 4.51,10 4.044,11 3.916,12 5.422,13 3.873,14 4.985,15 5.169,16 4.453,17 4.339,18 5.991,19 4.261,20 5.235,21 5.438,22 4.531,23 4.508,24 6.24,25 4.391,26 5.323,27 5.543,28 4.613,29 4.534,30 6.337,31 4.381,32 5.32,33 5.577,34 4.5,35 4.433,36 6.433,37 4.311,38 5.234,39 5.454,40 4.514,41 4.404,42 6.364,43 4.299,44 5.216,45 5.425,46 4.487,47 4.368,48 6.404,49 4.281,50 5.163,51 5.353,52 4.521,53 4.373,54 6.45,55 4.268,56 0.081,57 1.087,58 15.126,59 6.952,60 9.468,61 8.976,62 0.559,63 1.775,64 35.892,65 11.967,66 41.329,67 15.616,68 0.855,69 2.07,70 51.518,71 16.386,72 77.373,73 20.654,74 0.833,75 2.173,76 66.473,77 18.891,78 91.419,79 23.815,80 1.087,81 2.072,82 59.512,83 17.696,84 141.959,85 23.641,86 0.901,87 1.903,88 58.672,89 16.18,90 102.401,91 20.341,92 1.012,93 1.855,94 52.402,95 14.816,96 119.929,97 18.665,98 1.096,99 1.789,100 52.624,101 15.681,102 152.778,103 19.049,104 50,105 58,106 0.274,107 0.569,108 0.799,109 0.876,110 0.88,111 0.88,112 3.693,113 1.056,114 -3.09,115 -3.08,116 -2.97,119 36.5,120 1,121 2,124 1,125 8,127 1,128 1,138 5,139 1,140 2,148 2,151 3,163 3,165 1,166 7,169 2,171 2,172 10,175 2,176 4,179 2,181 1,183 5,187 6,190 1,192 2,194 7,197 4,198 7,201 3,203 3,205 2,208 1,209 8,214 3,217 5,220 1,221 7,224 1,226 4,227 4,230 3,231 6,234 2,235 1,236 3,238 4,241 2,242 6,247 1,249 5,252 3793,253 25.913,254 25.913,255 25.913,256 25.913,257 25.913,258 23.967,259 32.6,260 15.341,261 26.84,262 20.684,263 20.684,264 20.684,265 20.684,266 20.684,267 17.667,268 36.197,269 7.317,270 22.237,271 4.453,272 2.559,273 1.079,274 0.588,275 0.561,276 0.561,277 4.381,279 2,283 1,284 1246,285 4.416,287 264.474,288 302.544,295 2.471,296 50.98,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 85.167,308 587,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 4.033,315 3.784,316 11.459,317 3.009,318 4.354,319 3.669,320 6.359,321 3.929,322 2.984,323 3.947,324 1.963,325 9.483,326 2.82,327 4.108,328 3.615,329 6.204,330 3.739,331 2.795,332 3.387,333 1.909,334 9.036,335 2.619,336 3.697,337 3.514,338 5.51,339 3.452,340 2.525,341 2.875,342 1.859,343 7.117,344 2.401,345 3.593,346 3.259,347 5.34,348 3.419,349 2.444,350 2.812,351 0.901,352 6.965,353 2.308,354 3.516,355 3.154,356 5.137,357 3.264,358 2.28,359 2.718,360 0.86,361 6.215,362 2.233,363 3.486,364 3.001,365 5.04,366 3.069,367 2.152,368 2.519,369 0.8,370 5.956,371 1.89,372 3.131,373 2.885,374 4.912,375 2.821,376 1.859,377 2.299,378 0.561,379 5.362,380 1.788,381 2.978,382 2.649,383 4.791,384 2.637,385 1.72,386 2.087,387 0.215,388 4.969,389 1.545,390 2.738,391 2.222,392 4.585,393 2.518,394 1.614,395 1.751,397 4.396,398 1.432,399 2.611,400 2.176,401 3.999,402 2.406,403 1.523,404 1.604,406 3.308,407 1.271,408 2.566,409 1.819,410 3.845,411 2.178,412 1.26,413 1.591,415 3.125,416 1.137,417 2.561,418 1.68,419 3.715,420 2.125,421 1.174,422 1.515,424 2.831,425 1.115,426 2.311,427 1.678,428 3.474,429 2.112,430 1.163,431 1.295,433 2.703,434 1.06,435 2,436 1.342,437 3.275,438 1.952,439 1,440 1,442 2.136,443 0.946,444 19.095,445 0.49,446 1.035,447 0.027,448 40.5,449 1.038,450 14.5,451 0.372,452 26,453 0.667,454 46.6,455 1.195,456 44.505,457 0.601,458 34.391,459 0.882,460 7.819,461 0.2,462 10.904,463 0.28,464 0.18,466 0.325,472 0.714,473 1.539,474 0.647,475 1.054,476 0.528,477 1.008,478 0.903,479 1.157,480 0.823,481 0.923,482 0.564,483 0.899,484 1.105,485 0.959,486 1.024,487 0.974,488 1.075,489 1.012,490 0.932,491 1.191,492 0.949,493 1.159,494 1.129,495 1.129,496 0.7,497 0.902,498 0.68,499 0.836,500 0.806,501 0.77,502 1.166,503 1.017,504 0.947,505 0.981,506 1.34,507 0.931,508 1.417,509 0.952,510 0.956,511 0.901,512 1.751,513 0.905,514 1.127,515 1.057,516 1.088,517 1.107,518 1.51,519 1.035,520 8,521 0.34,522 4.667,523 3.306,524 2.104,525 1.581,526 1.021,527 0.765,528 0.499,529 0.418,530 25432,531 72637,532 2.022,533 47.3,535 25,536 1,538 2,539 5,541 2,542 1.797,543 1.872,544 3.814,545 0.213,550 129.983,551 1.757,552 3.651,553 5.13,554 5.621,555 5.649,556 5.649,557 3.338,558 5.132,559 5.248,560 4.056,561 3005.69,562 9.281,563 53254.9,568 459.5,569 1.479,570 5.204,571 0.19,572 0.007,573 0.08,574 0.057,575 0.04,576 0.028,577 0.019,578 0.014,579 0.009,580 0.008,581 0.453,582 0.33,583 0.75,584 0.58,585 220.678,586 -0.043,587 -0.253,588 0.036,589 -0.052,590 -0.015,591 -0.017,592 -0.03,593 0.035,594 0.029,595 0.087,596 0.035,597 0.061,598 -0.114,599 0.13,600 -0.072,601 0.043,602 -0.108,603 -0.04,604 -0.021,605 -0.162,606 0.05,607 -0.102,608 -0.068,609 -0.126,610 0.23,611 0.058,612 0.205,613 0.138,614 0.25,615 0.212,616 -0.048,617 -0.017,618 0.048,619 0.013,620 -0.022,621 0.038,622 -0.126,623 0.052,624 0.002,625 0.056,626 -0.114,627 0.032,628 0.121,629 -0.041,630 -0.007,631 -0.051,632 0.112,633 -0.058,634 1.967,635 6.46,636 0.564,637 57.636,638 1.009,639 1.132,640 1.857,641 3.45,642 0.667,643 3.761,644 4.078,645 4.317,646 4.543,647 4.7,648 4.754,649 4.844,650 4.927,651 4.997,652 5.037,653 8.931,654 0.625,655 596.64,656 3.761,657 5.303,658 6.142,659 7.011,660 7.871,661 8.748,662 9.618,663 10.501,664 11.379,665 12.267,666 6.8,669 1,673 3,674 1,681 5,686 5,687 1,688 11,702 2,703 74,705 14,706 1,707 42,709 77,710 27,711 10,712 3,713 3,717 4,718 4,719 2,721 1,724 1,727 3,729 13,730 14,733 3,737 3,741 3,747 35,748 8,749 2,750 12,751 3,755 5,760 1,761 4,772 1,775 2,776 2,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 2,802 2,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.4,828 3,829 1,832 20.833,833 13.552,834 8.611,835 4.409,836 1.426,837 1.181,838 0.946,839 11.177,840 9.31,841 3.942,842 4.44,843 4.857,844 5.266,845 5.572,846 5.646,847 5.786,848 6.048,849 6.213,850 6.286,851 1,852 58,853 14.613,854 6.272,855 7.822,856 27.823,857 22.919,859 2.322,860 90.556,864 388.446,865 153.525,866 44.169,867 78.297,868 86.435,870 32.22,871 121.305,872 553.178,873 44.169,874 17.222,875 66.034,876 47.381,877 100.549,878 15.21,879 17.285,880 408.895,881 78.297,882 388.446,883 165.474,884 86.435,885 110.517,887 364.904,888 98.977,889 11,891 79.882,892 85.592,893 78.297,894 32.22,895 388.446,896 130.604,897 231.822,900 388.446,901 88.922,902 72.751,903 36.022,904 164.732,905 388.446,906 130.604,907 231.822,909 0.582,910 0.335,911 0.174,912 0.093,913 25,914 13,915 0.143,916 11,918 1,919 4.9,920 367.988,922 22,923 202.131,924 1,928 30.376,929 14.351,930 8.225,932 128.705,933 9.048,938 3.645,939 2.01,940 36.022,941 750.872,942 50.5,946 39.096,950 -0.732,952 74.68,953 83.78,954 0.283,955 0.588,956 0.826,957 0.905,958 0.91,959 0.91,960 5.203,961 1.859,962 6.129,963 5.956,964 4.762,965 5.127,966 3.944,967 6.925,968 4.623,969 6.372,970 1.72,971 7.685,972 5.362,973 4.369,974 4.956,975 2.909,976 7.806,977 4.145,978 7.662,979 1.614,980 9.341,981 4.969,982 6.344,983 7.155,984 6.086,985 10.916,986 6.081,987 8.982,988 1.523,989 11.057,990 4.396,991 6.77,992 7.805,993 5.238,994 12.663,995 6.419,996 10.336,997 1.26,998 12.812,999 3.308,1000 8.222,1001 9.517,1002 8.608,1003 15.306,1004 7.827,1005 11.713,1006 1.174,1007 14.597,1008 3.125,1009 9.029,1010 10.54,1011 7.914,1012 17.428,1013 8.541,1014 13.108,1015 1.163,1016 16.403,1017 2.831,1018 10.282,1019 12.067,1020 11.213,1021 19.916,1022 9.739,1023 3.266,1024 1,1025 18.227,1026 2.703,1027 11.271,1028 13.267,1029 10.72,1030 22.204,1031 10.635,1032 2.984,1033 11.459,1034 20.066,1035 2.136,1036 12.449,1037 14.716,1038 13.839,1039 24.642,1040 11.749,1041 2.795,1042 9.483,1043 21.916,1044 4.033,1045 13.524,1046 16.004,1047 13.531,1048 27.004,1049 12.733,1050 2.525,1051 9.036,1052 23.776,1053 3.947,1054 14.678,1055 17.418,1056 16.47,1057 29.429,1058 13.815,1059 2.444,1060 7.117,1061 25.644,1062 3.387,1063 15.795,1064 18.75,1065 16.323,1066 31.825,1067 14.843,1068 2.28,1069 6.965,1070 27.519,1071 2.875,1072 16.946,1073 20.149,1074 19.103,1075 34.25,1076 15.916,1077 2.152,1078 6.215,1079 29.4,1080 2.812,1081 18.085,1082 21.504,1083 19.094,1084 36.664,1085 16.968,1086 24406,1087 41537,1088 27.452,1089 49.392,1090 62.81,1091 67.248,1092 64.854,1093 62.607,1094 62.232,1095 73.871,1096 25.703,1097 176.507,1098 57.701,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.033,1105 7.434,1106 18.973,1107 5.009,1108 22.734,1109 1.495,1110 1.601,1111 1.544,1112 1.491,1113 1.482,1114 1.759,1115 0.612,1116 4.203,1117 1.374,1118 4.025,1119 4.07,1120 4.167,1121 3.939,1122 7.435,1123 3.922,1124 3.962,1125 3.99,1126 3.966,1127 3.861,1128 7.427,1129 3.869,1130 3.83,1131 3.89,1132 3.935,1133 3.674,1134 7.422,1135 3.662,1136 3.766,1137 3.794,1138 3.708,1139 3.616,1140 5.014,1141 3.618,1142 3.634,1143 3.688,1144 3.582,1145 3.413,1146 4.779,1147 3.431,1148 3.497,1149 3.554,1150 3.549,1151 3.285,1152 4.629,1153 3.296,1154 3.328,1155 3.378,1156 3.443,1157 3.135,1158 4.627,1159 3.133,1160 3.15,1161 3.231,1162 3.242,1163 2.996,1164 4.233,1165 2.976,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.096,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 4.033,1181 3.784,1182 11.459,1183 3.009,1184 1.896,1185 1.882,1186 1.987,1187 2.003,1188 1.299,1189 2.002,1190 1.766,1191 1.701,1192 1.944,1193 1.961,1194 1.177,1195 1.97,1196 1.711,1197 1.661,1198 1.875,1199 1.931,1200 1.116,1201 1.919,1202 1.635,1203 1.583,1204 1.826,1205 1.857,1206 1.091,1207 1.848,1208 1.596,1209 1.546,1210 1.809,1211 1.806,1212 1.019,1213 1.808,1214 1.546,1215 1.504,1216 1.728,1217 1.703,1218 0.902,1219 1.716,1220 1.431,1221 1.376,1222 1.632,1223 1.631,1224 0.867,1225 1.647,1226 1.153,1227 1.106,1228 1.513,1229 1.437,1230 0.825,1231 1.446,1232 4.443,1233 5.759,1234 3.045,1235 7.248,1236 5.476,1237 8.817,1238 7.591,1239 10.433,1241 3.94,1242 12.586,1247 5.74,1248 5.844,1249 5.368,1250 1.331,1251 -1.138,1252 3.819,1257 46.237,1258 129.983,1259 270.165,1260 379.625,1261 415.99,1262 417.99,1263 417.99,1264 112.85,1265 7.884,1266 95.91,1267 121.21,1268 22,1269 12.8,1270 3.907,1271 3.248,1272 70.173,1273 197,1274 242,1275 0.161,1276 294.524,1277 522.39,1278 710.399,1279 30868,1280 2.7,1281 27.941,1282 0.716,1283 0.63,1284 29.294,1285 24.58,1286 18.723,1287 0.446,1288 0.352,1289 13.015,1290 16.906,1291 12.538,1292 10.262,1293 19.709,1294 14.781,1295 16.963,1296 0.292,1297 0.205,1298 18.358,1299 11.904,1300 13.919,1301 0.188,1302 0.123,1303 15.373,1304 9.094,1305 10.988,1306 0.118,1307 0.072,1308 12.823,1309 6.732,1310 8.378,1311 0.077,1312 0.041,1313 9.7,1314 4.478,1315 0.257,1316 128.185,1317 0.191,1318 35.694,1319 0.431,1320 200,1321 619.81,1322 277.425,1323 662.946,1324 859.63,1325 618,1326 232,1327 538.159,1328 299.706,1329 571.316,1330 838.5,1331 536,1332 5.602}
{0 CHEMBL43144,1 1.794,2 15.659,3 4.149,4 17.213,5 166.011,6 8.708,7 0.356,8 4.388,9 4.492,10 4.137,11 3.998,12 5.438,13 3.939,14 4.97,15 5.127,16 4.546,17 4.429,18 6.005,19 4.334,20 5.236,21 5.428,22 4.618,23 4.57,24 6.248,25 4.44,26 5.288,27 5.494,28 4.69,29 4.564,30 6.323,31 4.413,32 5.253,33 5.475,34 4.542,35 4.459,36 6.417,37 4.341,38 5.229,39 5.438,40 4.576,41 4.439,42 6.369,43 4.33,44 5.207,45 5.412,46 4.532,47 4.411,48 6.399,49 4.315,50 5.142,51 5.314,52 4.612,53 4.422,54 6.456,55 4.309,56 0.086,57 1.055,58 13.078,59 7.092,60 10.365,61 8.459,62 0.518,63 1.812,64 33.053,65 12.973,66 39.931,67 15.122,68 0.801,69 2.166,70 51.049,71 17.956,72 80.952,73 20.837,74 0.859,75 2.262,76 67.81,77 19.946,78 93.044,79 22.792,80 0.95,81 2.143,82 54.668,83 18.253,84 133.309,85 22.14,86 0.903,87 2.024,88 57.971,89 17.417,90 103.924,91 20.172,92 0.977,93 1.983,94 52.363,95 16.392,96 115.256,97 18.613,98 1.014,99 1.864,100 53.107,101 16.86,102 149.162,103 18.254,104 26,105 62,106 0.278,107 0.591,108 0.792,109 0.886,110 0.89,111 0.89,112 3.741,113 1.077,114 -4.06,115 -4.01,116 -3.8,119 39.7,121 2,125 8,127 1,128 1,138 7,139 3,140 2,147 1,148 1,151 3,163 7,165 1,166 4,169 2,171 3,172 17,175 2,176 4,179 1,181 1,183 10,187 7,190 1,192 3,194 10,197 3,198 6,201 3,203 4,205 2,208 1,209 9,214 4,217 7,220 1,221 9,224 1,226 4,227 5,230 1,231 7,234 2,235 1,236 3,238 7,241 2,242 7,247 1,249 7,252 4252,253 27.775,254 27.775,255 27.775,256 27.775,257 27.775,258 25.399,259 30.676,260 16.598,261 28.763,262 22.231,263 22.231,264 22.231,265 22.231,266 22.231,267 18.529,268 34.804,269 7.937,270 23.892,271 4.396,272 2.374,273 1.074,274 0.466,275 0.438,276 0.438,277 4.443,279 2,283 1,284 1397,285 4.416,287 242.694,288 449.702,291 209.604,295 2.707,296 52.016,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.5,305 0.5,306 0.71,307 88.667,308 642,309 4.524,310 4.788,311 6.875,312 4.19,313 3.266,314 4.473,315 3.784,316 11.459,317 3.009,318 4.432,319 3.669,320 6.526,321 4.024,322 3.062,323 3.947,324 1.963,325 10.265,326 2.945,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.62,336 3.702,337 3.514,338 5.51,339 3.453,340 2.525,341 2.894,342 1.859,343 7.121,344 2.403,345 3.598,346 3.259,347 5.34,348 3.421,349 2.448,350 2.812,351 0.901,352 6.965,353 2.309,354 3.516,355 3.133,356 5.163,357 3.269,358 2.284,359 2.776,360 0.86,361 6.215,362 2.237,363 3.493,364 3.001,365 5.125,366 3.076,367 2.162,368 2.669,369 0.8,370 6.144,371 1.941,372 3.379,373 2.885,374 4.975,375 2.953,376 1.981,377 2.519,378 0.561,379 5.747,380 1.87,381 3.046,382 2.649,383 4.803,384 2.647,385 1.742,386 2.318,387 0.215,388 5.037,389 1.55,390 2.979,391 2.224,392 4.588,393 2.519,394 1.614,395 2.088,397 4.403,398 1.436,399 2.744,400 2.176,401 4.18,402 2.469,403 1.546,404 1.767,406 3.753,407 1.408,408 2.651,409 1.819,410 3.999,411 2.41,412 1.527,413 1.708,415 3.308,416 1.273,417 2.61,418 1.68,419 3.715,420 2.189,421 1.263,422 1.604,424 3.125,425 1.17,426 2.561,427 1.678,428 3.592,429 2.166,430 1.192,431 1.514,433 2.803,434 1.134,435 2.311,436 1.546,437 3.473,438 2.11,439 1.173,440 1.295,442 2.701,443 1.057,444 20.529,445 0.501,446 0.959,447 0.023,448 45.25,449 1.104,450 18.5,451 0.451,452 26.75,453 0.652,454 47.819,455 1.166,456 44.871,457 0.615,458 37.05,459 0.904,460 8.489,461 0.207,462 11.396,463 0.278,464 0.118,466 0.307,472 0.688,473 1.278,474 0.628,475 0.896,476 0.515,477 0.895,478 0.873,479 1.072,480 0.857,481 0.92,482 0.574,483 0.918,484 1.06,485 0.952,486 0.97,487 0.93,488 1.059,489 0.977,490 0.981,491 1.113,492 0.995,493 1.112,494 1.156,495 1.048,496 0.775,497 1.019,498 0.761,499 0.93,500 0.875,501 0.888,502 1.16,503 1.012,504 0.886,505 0.936,506 1.346,507 0.934,508 1.374,509 0.876,510 0.926,511 0.844,512 1.615,513 0.861,514 1.199,515 1.054,516 1.038,517 1.044,518 1.535,519 1.027,520 7.5,521 0.352,522 4.444,523 3.181,524 2.082,525 1.56,526 1.04,527 0.768,528 0.503,529 0.402,530 30777,531 90927,532 2.09,533 43.8,535 24,536 2,538 2,539 2,541 2,542 1.809,543 1.968,544 3.874,545 0.185,550 130.976,551 1.794,552 3.816,553 5.116,554 5.724,555 5.751,556 5.751,557 3.382,558 4.766,559 5.321,560 4.118,561 3376.8,562 9.423,563 62148,568 451.857,569 1.363,570 5.294,571 0.167,572 0.007,573 0.072,574 0.051,575 0.036,576 0.026,577 0.018,578 0.013,579 0.009,580 0.008,581 0.407,582 0.33,583 0.63,584 0.501,585 235.689,586 -0.044,587 -0.114,588 0.037,589 0.017,590 -0.01,591 0.02,592 -0.031,593 0.074,594 -0.017,595 0.062,596 0.02,597 0.012,598 -0.092,599 0.084,600 -0.04,601 0.053,602 -0.1,603 -0.012,604 -0.027,605 -0.091,606 0.04,607 -0.059,608 -0.065,609 -0.054,610 0.195,611 -0.031,612 0.107,613 0.027,614 0.232,615 0.091,616 -0.029,617 -0.032,618 0.053,619 0.001,620 -0.031,621 0.024,622 -0.109,623 0.122,624 0.002,625 0.083,626 -0.077,627 0.073,628 0.078,629 -0.061,630 -0.002,631 -0.04,632 0.105,633 -0.073,634 1.972,635 6.542,636 0.634,637 61.706,638 1.011,639 1.12,640 2.83,641 8.008,642 0.702,643 3.829,644 4.143,645 4.407,646 4.673,647 4.86,648 4.913,649 5.017,650 5.1,651 5.124,652 5.182,653 9.291,654 0.656,655 635.69,656 3.829,657 5.371,658 6.217,659 7.091,660 7.957,661 8.839,662 9.716,663 10.603,664 11.487,665 12.379,666 5.5,669 1,673 3,680 2,681 8,685 1,686 4,688 16,702 2,703 73,705 19,706 2,707 45,709 77,710 29,711 14,712 5,713 7,717 5,718 6,719 2,724 1,727 3,729 17,730 12,733 3,737 3,741 3,747 32,748 8,749 2,750 12,751 4,755 4,760 0.8,761 4,775 2,776 3,779 1,783 2,784 1,792 1,795 1,796 4,797 1,799 2,802 2,805 41,810 10,811 2,812 1,813 1,814 2,815 2,820 1,824 2,825 5.5,828 3,829 1,832 20.833,833 12.769,834 9.028,835 4.387,836 2.486,837 1.299,838 0.974,839 10.978,840 10.793,841 4.043,842 4.572,843 5.071,844 5.585,845 6.02,846 6.2,847 6.469,848 6.767,849 6.65,850 6.771,851 0.909,852 62,853 15.364,854 6.696,855 7.794,856 29.336,857 24.618,859 2.294,860 94.056,864 353.133,865 195.173,866 42.27,867 78.297,868 86.435,870 63.497,871 131.676,872 517.865,873 42.27,875 66.034,876 73.983,877 100.549,878 19.07,879 24.288,880 393.088,881 78.297,882 353.133,883 173.946,884 86.435,885 141.795,887 329.591,888 98.977,889 11,891 69.158,892 104.788,893 78.297,894 63.497,895 353.133,896 128.705,897 273.47,900 353.133,901 121.19,902 80.231,903 36.022,904 164.732,905 353.133,906 128.705,907 273.47,909 0.578,910 0.334,911 0.183,912 0.1,913 28,914 13,915 0.143,916 11,917 1,918 1.077,919 5.145,920 402.091,921 0.077,922 26,923 215.66,924 2,928 30.734,929 14.645,930 8.019,931 2.277,932 128.705,933 15.205,937 1.636,938 2.618,940 36.022,941 755.308,942 56,946 39.381,950 -0.724,952 73.771,953 81.787,954 0.29,955 0.617,956 0.826,957 0.925,958 0.929,959 0.929,960 5.293,961 1.981,962 6.192,963 6.144,964 4.828,965 5.26,966 3.944,967 6.991,968 4.691,969 6.465,970 1.742,971 7.742,972 5.747,973 4.369,974 5.047,975 2.909,976 7.872,977 4.162,978 7.755,979 1.614,980 9.394,981 5.037,982 6.405,983 7.363,984 6.086,985 10.998,986 6.155,987 9.078,988 1.546,989 11.108,990 4.403,991 6.792,992 8.021,993 5.238,994 12.768,995 6.469,996 10.438,997 1.527,998 12.865,999 3.753,1000 8.282,1001 9.834,1002 8.608,1003 15.414,1004 7.917,1005 11.824,1006 1.263,1007 14.652,1008 3.308,1009 9.072,1010 10.911,1011 7.914,1012 17.555,1013 8.626,1014 13.229,1015 1.192,1016 16.463,1017 3.125,1018 10.346,1019 12.528,1020 11.213,1021 20.043,1022 9.852,1023 3.266,1024 1.173,1025 18.292,1026 2.803,1027 11.329,1028 13.813,1029 10.72,1030 22.34,1031 10.754,1032 3.062,1033 11.459,1034 20.135,1035 2.701,1036 12.519,1037 15.348,1038 13.839,1039 24.776,1040 11.888,1041 2.796,1042 10.265,1043 21.99,1044 4.473,1045 13.594,1046 16.734,1047 13.531,1048 27.139,1049 12.882,1050 2.525,1051 9.037,1052 23.855,1053 3.947,1054 14.756,1055 18.237,1056 16.47,1057 29.56,1058 13.981,1059 2.448,1060 7.121,1061 25.727,1062 3.387,1063 15.874,1064 19.673,1065 16.323,1066 31.953,1067 15.021,1068 2.284,1069 6.965,1070 27.606,1071 2.894,1072 17.029,1073 21.164,1074 19.103,1075 34.371,1076 16.108,1077 2.162,1078 6.215,1079 29.491,1080 2.812,1081 18.169,1082 22.625,1083 19.094,1084 36.78,1085 17.171,1086 28758,1087 49707,1088 30.224,1089 51.273,1090 67.456,1091 71.66,1092 68.735,1093 67.178,1094 66.836,1095 82.046,1096 25.703,1097 189.065,1098 61.913,1099 5.524,1100 6.788,1101 6.677,1102 5.333,1103 5.266,1104 7.473,1105 7.434,1106 18.973,1107 5.009,1108 19.471,1109 1.499,1110 1.592,1111 1.527,1112 1.493,1113 1.485,1114 1.823,1115 0.571,1116 4.201,1117 1.376,1118 4.087,1119 4.097,1120 4.323,1121 4.109,1122 7.435,1123 4.056,1124 3.975,1125 3.995,1126 4.163,1127 3.93,1128 7.427,1129 3.908,1130 3.83,1131 3.89,1132 3.959,1133 3.678,1134 7.422,1135 3.665,1136 3.769,1137 3.796,1138 3.708,1139 3.616,1140 5.015,1141 3.619,1142 3.641,1143 3.695,1144 3.584,1145 3.422,1146 4.864,1147 3.44,1148 3.526,1149 3.582,1150 3.552,1151 3.378,1152 4.629,1153 3.363,1154 3.388,1155 3.434,1156 3.475,1157 3.259,1158 4.627,1159 3.247,1160 3.281,1161 3.309,1162 3.442,1163 3.12,1164 4.255,1165 3.105,1166 0.101,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.524,1172 0.099,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.19,1178 0.067,1179 3.266,1180 4.473,1181 3.784,1182 11.459,1183 3.009,1184 1.93,1185 1.913,1186 2.017,1187 2.004,1188 1.299,1189 2.005,1190 1.896,1191 1.882,1192 1.987,1193 1.99,1194 1.19,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.173,1201 1.97,1202 1.669,1203 1.637,1204 1.827,1205 1.869,1206 1.105,1207 1.861,1208 1.593,1209 1.542,1210 1.797,1211 1.823,1212 1.087,1213 1.821,1214 1.511,1215 1.485,1216 1.667,1217 1.686,1218 0.897,1219 1.691,1220 1.427,1221 1.376,1222 1.603,1223 1.579,1224 0.866,1225 1.614,1226 1.153,1227 1.109,1228 1.513,1229 1.391,1230 0.825,1231 1.429,1232 4.511,1233 5.826,1234 3.045,1235 7.322,1236 5.476,1237 8.903,1238 7.618,1239 10.533,1242 12.628,1247 5.743,1248 5.903,1249 5.376,1250 1.335,1251 -1.148,1252 3.826,1257 47.876,1258 130.976,1259 278.588,1260 373.451,1261 417.857,1262 419.857,1263 419.857,1264 105.697,1265 8.306,1266 90.98,1267 144.52,1268 28,1269 12.909,1270 4.322,1271 3.585,1272 66.21,1273 218,1274 262,1275 0.137,1276 304.797,1277 535.96,1278 735.465,1279 54681,1280 2.7,1281 28.769,1282 0.702,1283 0.624,1284 30.476,1285 25.589,1286 19.885,1287 0.442,1288 0.359,1289 13.623,1290 17.71,1291 13.148,1292 10.7,1293 21.325,1294 16.161,1295 17.835,1296 0.288,1297 0.21,1298 19.781,1299 13.047,1300 14.767,1301 0.182,1302 0.126,1303 16.928,1304 10.2,1305 12.329,1306 0.116,1307 0.076,1308 14.965,1309 8.024,1310 9.75,1311 0.076,1312 0.042,1313 11.703,1314 5.431,1315 0.22,1316 139.075,1317 0.182,1318 37.202,1319 0.366,1320 214,1321 651.026,1322 311.293,1323 717.423,1324 936.52,1325 670,1326 250,1327 578.39,1328 335.058,1329 627.694,1330 925.79,1331 591,1332 6.469}
{0 CHEMBL43330,1 1.63,2 15.14,3 6.378,4 40.683,5 174.494,6 8.351,7 0.479,8 4.425,9 4.527,10 4.122,11 4.061,12 5.471,13 4.009,14 4.993,15 5.143,16 4.533,17 4.494,18 6.01,19 4.412,20 5.268,21 5.448,22 4.632,23 4.665,24 6.251,25 4.545,26 5.36,27 5.574,28 4.709,29 4.667,30 6.342,31 4.524,32 5.315,33 5.53,34 4.592,35 4.633,36 6.364,37 4.507,38 5.345,39 5.554,40 4.648,41 4.65,42 6.416,43 4.523,44 5.305,45 5.501,46 4.606,47 4.619,48 6.386,49 4.503,50 5.31,51 5.516,52 4.638,53 4.585,54 6.435,55 4.462,56 0.02,57 1.023,58 13.72,59 7.129,60 8.125,61 8.91,62 0.349,63 1.804,64 31.813,65 12.838,66 30.9,67 15.615,68 0.447,69 2.242,70 48.223,71 18.362,72 57.717,73 22.305,74 0.633,75 2.45,76 66.115,77 20.807,78 75.994,79 25.306,80 0.535,81 2.364,82 51.319,83 19.649,84 85.382,85 24.854,86 0.639,87 2.359,88 61.919,89 20.567,90 88.381,91 24.75,92 0.442,93 2.225,94 50.264,95 19.062,96 79.85,97 23.108,98 0.752,99 2.252,100 60.7,101 19.593,102 108.558,103 23.489,104 17,105 67,106 0.248,107 0.534,108 0.716,109 0.842,110 0.884,111 0.896,112 3.788,113 1.01,114 -5.86,115 -5.72,116 -5.33,119 44.7,121 1,125 7,127 1,128 1,138 14,139 6,140 2,151 2,163 19,165 1,166 5,169 1,171 2,172 29,175 1,176 8,181 2,183 19,187 11,192 4,194 16,197 2,198 8,201 2,203 3,205 11,208 1,209 12,214 2,217 19,221 10,226 2,227 17,230 1,231 14,236 5,238 15,241 1,242 10,247 2,249 12,252 4529,253 29.377,254 29.377,255 29.377,256 29.377,257 29.377,258 26.302,259 31.592,260 17.465,261 30.147,262 23.748,263 23.748,264 23.748,265 23.748,266 23.748,267 19.093,268 39.395,269 8.368,270 25.077,271 4.618,272 2.742,273 1.547,274 0.72,275 0.447,276 0.368,277 4.501,279 2,284 1439,285 3.808,287 125.447,288 713.993,292 227.546,295 2.435,296 42.307,299 0.5,300 0.5,301 0.67,302 0.7,303 0.5,304 0.83,305 1,306 0.67,307 91.167,308 651,309 4.493,310 4.788,311 6.876,312 4.192,313 3.268,314 4.43,315 3.784,316 11.464,317 3.029,318 4.434,319 3.669,320 6.506,321 4.03,322 3.032,323 3.948,324 1.909,325 10.196,326 3.011,327 4.134,328 3.526,329 6.205,330 3.756,331 2.805,332 3.686,333 1.864,334 9.044,335 2.698,336 4.046,337 3.3,338 5.699,339 3.708,340 2.738,341 3.363,342 0.962,343 8.038,344 2.616,345 3.679,346 3.104,347 5.502,348 3.428,349 2.475,350 2.943,351 0.916,352 7.215,353 2.36,354 3.553,355 3.067,356 5.299,357 3.336,358 2.371,359 2.832,360 0.86,361 6.731,362 2.268,363 3.509,364 3.012,365 5.22,366 3.11,367 2.174,368 2.746,369 0.561,370 6.306,371 2.073,372 3.453,373 2.741,374 5.081,375 3.033,376 2.074,377 2.676,378 0.367,379 6.01,380 1.932,381 3.233,382 2.638,383 4.89,384 2.959,385 1.977,386 2.427,387 0.172,388 5.602,389 1.868,390 3.118,391 2.361,392 4.787,393 2.618,394 1.718,395 2.343,397 5.037,398 1.618,399 2.976,400 2.29,401 4.594,402 2.612,403 1.618,404 2.088,406 4.406,407 1.494,408 2.772,409 2.027,410 4.162,411 2.422,412 1.544,413 1.904,415 3.792,416 1.282,417 2.756,418 1.681,419 3.999,420 2.288,421 1.408,422 1.815,424 3.126,425 1.273,426 2.642,427 1.636,428 3.603,429 2.273,430 1.275,431 1.681,433 3.043,434 1.234,435 2.563,436 1.618,437 3.597,438 2.159,439 1.183,440 1.518,442 2.846,443 1.14,444 21.462,445 0.499,446 0.989,447 0.023,448 52.5,449 1.221,450 25,451 0.581,452 27.5,453 0.64,454 46.832,455 1.089,456 45.138,457 0.594,458 44.292,459 1.03,460 10.147,461 0.236,462 10.794,463 0.251,464 0.098,466 0.317,472 0.664,473 1.191,474 0.616,475 0.892,476 0.53,477 0.873,478 0.928,479 1.044,480 0.849,481 0.919,482 0.615,483 0.909,484 1.019,485 1.112,486 1.001,487 1.059,488 1.034,489 1.061,490 0.939,491 1.085,492 0.913,493 1.035,494 1.137,495 1.001,496 0.693,497 1.032,498 0.782,499 0.963,500 0.736,501 0.94,502 1.037,503 0.946,504 0.968,505 1.018,506 1.282,507 0.967,508 1.243,509 1.048,510 0.896,511 0.956,512 1.534,513 0.98,514 1.121,515 1.055,516 1.099,517 1.076,518 1.299,519 0.975,520 8,521 0.402,522 4.222,523 3.326,524 2.357,525 1.581,526 0.99,527 0.82,528 0.58,529 0.496,530 34177,531 91450,532 2.14,533 43.4,535 29,536 1,538 1,539 2,542 1.821,543 2.031,544 3.837,545 -0.415,550 123.894,551 1.63,552 3.506,553 4.701,554 5.527,555 5.801,556 5.88,557 3.333,558 5.147,559 5.394,560 4.065,561 3671,562 9.573,563 67988.3,568 474.842,569 1.301,570 5.371,571 0.167,572 0.007,573 0.063,574 0.048,575 0.036,576 0.023,577 0.015,578 0.012,579 0.009,580 0.008,581 0.388,582 0.17,583 0.63,584 0.445,585 248.437,586 -0.017,587 -0.092,588 0.037,589 0.004,590 -0.017,591 0.021,592 -0.04,593 0.077,594 -0.025,595 0.047,596 -0.005,597 0.003,598 -0.08,599 -0.078,600 -0.072,601 -0.063,602 -0.1,603 -0.101,604 0.005,605 -0.059,606 0.095,607 -0.004,608 -0.04,609 -0.012,610 0.15,611 -0.011,612 0.077,613 0.025,614 0.192,615 0.045,616 0.007,617 0.063,618 0.027,619 0.002,620 0.011,621 0.017,622 -0.107,623 -0.068,624 0.013,625 0.014,626 -0.078,627 -0.014,628 0.063,629 -0.049,630 0.014,631 -0.037,632 0.091,633 0.008,634 1.86,635 6.892,636 0.767,637 59.232,638 1.002,639 1.113,640 4.634,641 21.476,642 0.71,643 3.892,644 4.22,645 4.5,646 4.787,647 5.024,648 5.088,649 5.226,650 5.366,651 5.497,652 5.549,653 9.034,654 0.664,655 634.67,656 3.892,657 5.442,658 6.297,659 7.179,660 8.05,661 8.938,662 9.817,663 10.709,664 11.593,665 12.488,666 3.9,669 1,673 2,680 2,681 14,686 6,688 23,702 2,703 76,705 25,706 4,707 48,709 81,710 34,711 22,712 8,713 14,717 6,718 7,719 2,724 1,727 2,729 24,730 10,733 2,737 2,741 2,747 33,748 6,749 1,750 9,751 3,755 3,760 0.833,761 3,775 1,776 5,780 1,783 1,784 1,792 1,795 1,796 5,797 1,799 1,802 2,805 43,810 8,811 1,812 1,813 1,814 2,815 2,824 2,825 3.9,828 2,829 1,832 21.167,833 13.436,834 9.361,835 4.546,836 3.246,837 1.37,838 0.997,839 9.805,840 12.027,841 4.135,842 4.705,843 5.242,844 5.783,845 6.308,846 6.468,847 6.766,848 7.102,849 7.422,850 7.366,851 1,852 69,853 16.042,854 6.99,855 7.672,856 30.972,857 26.262,859 2.172,860 93.389,864 376.675,865 221.434,866 24.259,867 78.297,868 61.29,870 32.22,871 189.214,872 516.262,873 24.259,875 43.383,876 132.667,877 70.699,878 28.014,879 11.771,880 397.124,881 78.297,882 376.675,883 213.473,884 61.29,885 110.517,887 376.675,888 50.29,889 11,891 46.507,892 166.966,893 78.297,894 32.22,895 376.675,896 85.549,897 299.731,900 376.675,901 88.766,902 138.916,903 18.011,904 139.587,905 376.675,906 85.549,907 299.731,909 0.58,910 0.338,911 0.189,912 0.106,913 32,914 14,915 0.111,916 9,917 1,918 1.061,919 5.229,920 449.188,921 0.061,922 33,923 227.329,924 1,928 30.293,929 13.917,930 7.325,931 2.235,932 85.549,933 27.934,938 5.133,940 18.011,941 761.955,942 61.5,946 27.047,950 -0.228,952 76.149,953 84.574,954 0.261,955 0.561,956 0.752,957 0.885,958 0.928,959 0.941,960 5.383,961 2.074,962 6.275,963 6.306,964 4.905,965 5.394,966 3.832,967 7.081,968 4.804,969 6.568,970 1.977,971 7.826,972 6.01,973 4.443,974 5.139,975 2.668,976 7.951,977 4.27,978 7.862,979 1.718,980 9.477,981 5.602,982 6.491,983 7.531,984 6.042,985 11.08,986 6.309,987 9.188,988 1.618,989 11.189,990 5.037,991 6.858,992 8.105,993 5.117,994 12.821,995 6.606,996 10.547,997 1.544,998 12.942,999 4.406,1000 8.362,1001 9.987,1002 8.596,1003 15.467,1004 8.096,1005 11.929,1006 1.408,1007 14.724,1008 3.792,1009 9.13,1010 10.977,1011 7.878,1012 17.585,1013 8.795,1014 13.331,1015 1.275,1016 16.528,1017 3.126,1018 10.411,1019 12.635,1020 11.21,1021 20.07,1022 10.05,1023 3.268,1024 1.183,1025 18.35,1026 3.043,1027 11.376,1028 13.847,1029 10.711,1030 22.352,1031 10.949,1032 3.032,1033 11.464,1034 20.187,1035 2.846,1036 12.567,1037 15.4,1038 13.838,1039 24.785,1040 12.103,1041 2.805,1042 10.196,1043 22.035,1044 4.43,1045 13.628,1046 16.732,1047 13.529,1048 27.141,1049 13.1,1050 2.738,1051 9.044,1052 23.893,1053 3.948,1054 14.787,1055 18.236,1056 16.47,1057 29.559,1058 14.213,1059 2.475,1060 8.038,1061 25.759,1062 3.686,1063 15.896,1064 19.633,1065 16.322,1066 31.949,1067 15.258,1068 2.371,1069 7.215,1070 27.632,1071 3.363,1072 17.047,1073 21.116,1074 19.103,1075 34.367,1076 16.356,1077 2.174,1078 6.731,1079 29.511,1080 2.943,1081 18.18,1082 22.549,1083 19.093,1084 36.774,1085 17.426,1086 31442,1087 51693,1088 32.709,1089 53.926,1090 72.103,1091 76.684,1092 73.259,1093 71.804,1094 71.421,1095 90.487,1096 22.795,1097 204.148,1098 67.463,1099 5.493,1100 6.788,1101 6.678,1102 5.333,1103 5.268,1104 7.43,1105 7.434,1106 18.978,1107 5.029,1108 17.906,1109 1.502,1110 1.598,1111 1.526,1112 1.496,1113 1.488,1114 1.885,1115 0.475,1116 4.253,1117 1.405,1118 4.1,1119 4.124,1120 4.172,1121 4.059,1122 7.432,1123 4.053,1124 4.007,1125 4.034,1126 4.04,1127 3.95,1128 7.423,1129 3.935,1130 3.911,1131 3.935,1132 3.964,1133 3.862,1134 5.016,1135 3.851,1136 3.767,1137 3.81,1138 3.863,1139 3.657,1140 4.897,1141 3.634,1142 3.728,1143 3.764,1144 3.626,1145 3.536,1146 4.739,1147 3.548,1148 3.551,1149 3.598,1150 3.584,1151 3.428,1152 4.628,1153 3.421,1154 3.431,1155 3.475,1156 3.498,1157 3.266,1158 4.608,1159 3.278,1160 3.223,1161 3.288,1162 3.343,1163 3.09,1164 4.348,1165 3.078,1166 0.094,1167 0.1,1168 0.143,1169 0.087,1170 0.068,1171 4.493,1172 0.092,1173 4.788,1174 0.079,1175 6.876,1176 0.239,1177 4.192,1178 0.063,1179 3.268,1180 4.43,1181 3.784,1182 11.464,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.949,1191 1.921,1192 2.066,1193 2.053,1194 1.287,1195 2.06,1196 1.888,1197 1.873,1198 1.942,1199 1.957,1200 1.19,1201 1.967,1202 1.692,1203 1.636,1204 1.904,1205 1.907,1206 1.14,1207 1.913,1208 1.645,1209 1.612,1210 1.796,1211 1.839,1212 1.078,1213 1.831,1214 1.507,1215 1.467,1216 1.686,1217 1.657,1218 0.829,1219 1.661,1220 1.385,1221 1.336,1222 1.566,1223 1.578,1224 0.825,1225 1.587,1226 1.27,1227 1.221,1228 1.513,1229 1.443,1230 0.817,1231 1.473,1232 4.575,1233 5.9,1234 2.398,1235 7.416,1236 4.844,1237 9.02,1238 7.018,1239 10.67,1242 12.846,1247 5.062,1248 3.043,1249 5.489,1250 1.47,1251 -0.864,1252 4.221,1257 50.479,1258 123.894,1259 266.423,1260 357.275,1261 420.088,1262 440.842,1263 446.842,1264 90.031,1265 8.781,1266 61.88,1267 87.18,1268 35,1269 13.016,1270 4.7,1271 3.858,1272 63.593,1273 225,1274 249,1275 0.129,1276 314.662,1277 552.98,1278 759.535,1279 97133,1280 2.6,1281 29.761,1282 0.692,1283 0.605,1284 31.114,1285 26.006,1286 20.941,1287 0.436,1288 0.337,1289 14.463,1290 19.377,1291 14.003,1292 11.441,1293 21.926,1294 16.165,1295 18.934,1296 0.283,1297 0.195,1298 20.328,1299 13.068,1300 15.938,1301 0.179,1302 0.112,1303 17.392,1304 9.97,1305 13.669,1306 0.115,1307 0.066,1308 15.504,1309 7.813,1310 11.22,1311 0.074,1312 0.036,1313 12.527,1314 5.494,1315 0.205,1316 139.836,1317 0.175,1318 38.218,1319 0.349,1320 230,1321 628.097,1322 301.075,1323 687.437,1324 913.18,1325 644,1326 271,1327 590.664,1328 332.938,1329 633.663,1330 935.15,1331 597,1332 4}
{0 CHEMBL43661,1 1.679,2 12.676,3 5.172,4 26.752,5 140.283,6 8.468,7 0.459,8 4.193,9 4.302,10 3.902,11 3.825,12 5.261,13 3.763,14 4.748,15 4.914,16 4.323,17 4.252,18 5.777,19 4.159,20 5.004,21 5.179,22 4.439,23 4.426,24 6.033,25 4.3,26 5.135,27 5.348,28 4.548,29 4.425,30 6.166,31 4.276,32 5.079,33 5.302,34 4.359,35 4.343,36 6.17,37 4.217,38 5.048,39 5.243,40 4.426,41 4.35,42 6.185,43 4.221,44 5.094,45 5.305,46 4.272,47 4.306,48 6.207,49 4.169,50 4.956,51 5.158,52 4.325,53 4.233,54 6.149,55 4.103,56 0.021,57 0.843,58 10.993,59 5.674,60 7.5,61 7.19,62 0.299,63 1.453,64 26.451,65 10.14,66 25.511,67 12.608,68 0.327,69 1.736,70 38.545,71 14.445,72 49.402,73 17.37,74 0.582,75 1.92,76 57.342,77 16.948,78 75.215,79 20.082,80 0.632,81 1.88,82 45.25,83 15.225,84 83.456,85 18.843,86 0.47,87 1.714,88 46.906,89 15.163,90 73.478,91 18.03,92 0.621,93 1.76,94 50.931,95 15.953,96 95.301,97 18.211,98 0.616,99 1.535,100 40.864,101 13.451,102 88.478,103 16.305,104 40,105 52,106 0.27,107 0.568,108 0.747,109 0.845,110 0.876,111 0.886,112 3.56,113 1.04,114 -5.35,115 -5.24,116 -4.9,119 42.6,121 1,124 2,125 3,127 1,128 1,138 10,139 4,140 2,151 2,163 13,165 1,166 3,169 1,171 2,172 23,175 1,176 4,181 2,183 16,187 6,192 4,194 14,197 3,198 5,201 2,203 3,205 5,209 10,214 2,217 8,221 9,226 1,227 5,230 1,231 9,234 1,236 3,238 6,242 7,249 6,252 2208,253 22.637,254 22.637,255 22.637,256 22.637,257 22.637,258 20.286,259 21.351,260 13.321,261 23.265,262 18.248,263 18.248,264 18.248,265 18.248,266 18.248,267 14.671,268 23.091,269 6.33,270 19.353,271 4.252,272 2.401,273 1.283,274 0.672,275 0.484,276 0.418,277 4.252,279 2,283 1,284 924,285 4,287 101.032,288 320.895,292 173.267,295 1.851,296 34.358,299 0.75,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.78,307 72.167,308 431,309 4.493,310 4.787,311 6.87,312 4.183,313 3.26,314 4.43,315 3.784,316 11.432,317 3.028,318 4.427,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.998,327 4.101,328 3.525,329 6.202,330 3.737,331 2.793,332 3.373,333 1.864,334 9.024,335 2.619,336 3.676,337 3.285,338 5.481,339 3.388,340 2.413,341 2.943,342 0.896,343 6.989,344 2.342,345 3.509,346 3.104,347 5.22,348 3.139,349 2.211,350 2.831,351 0.8,352 6.307,353 2.084,354 3.457,355 3.017,356 5.088,357 3.093,358 2.174,359 2.726,360 0.561,361 6.013,362 2.009,363 3.227,364 2.658,365 4.859,366 3.028,367 2.053,368 2.427,370 5.383,371 1.878,372 3.118,373 2.564,374 4.677,375 2.674,376 1.772,377 2.234,379 4.985,380 1.618,381 2.982,382 2.29,383 4.573,384 2.618,385 1.618,386 2.085,388 4.445,389 1.553,390 2.775,391 1.843,392 4.162,393 2.439,394 1.578,395 1.904,397 3.793,398 1.281,399 2.762,400 1.68,401 4,402 2.275,403 1.275,404 1.787,406 3.127,407 1.272,408 2.563,409 1.618,410 3.599,411 2.117,412 1.176,413 1.518,415 2.847,416 1.068,417 2.403,418 1.353,419 3.429,420 1.998,421 1.011,422 1.359,424 2.32,425 0.99,426 1.911,427 1.238,428 3.307,429 1.708,430 0.737,431 0.814,433 1.733,434 0.704,435 1.757,436 0.913,437 3.028,438 1.445,439 0.478,440 0.573,442 1.108,443 0.457,444 17.129,445 0.504,446 0.929,447 0.027,448 40.5,449 1.191,450 19,451 0.559,452 21.5,453 0.632,454 35.65,455 1.049,456 36.271,457 0.595,458 32.067,459 0.943,460 7.805,461 0.23,462 8.524,463 0.251,464 0.181,466 0.339,472 0.627,473 1.258,474 0.612,475 0.888,476 0.527,477 0.89,478 0.762,479 0.966,480 0.805,481 0.857,482 0.547,483 0.834,484 1.017,485 1.088,486 1.005,487 1.084,488 1.077,489 1.064,490 1.054,491 1.117,492 0.897,493 1.044,494 1.201,495 0.981,496 0.823,497 0.995,498 0.847,499 0.964,500 0.853,501 0.894,502 1.123,503 1.116,504 0.954,505 1.095,506 1.27,507 1.057,508 1.618,509 1.012,510 1.17,511 1.073,512 1.908,513 1.009,514 1.094,515 0.995,516 0.979,517 1.003,518 1.269,519 1.013,520 7,521 0.209,522 4.222,523 2.889,524 2.029,525 1.456,526 0.884,527 0.708,528 0.408,529 0.341,530 16772,531 48376,532 2.042,533 44.3,535 23,536 1,538 1,539 2,542 1.762,543 1.889,544 3.593,545 -0.363,550 102.427,551 1.679,552 3.53,553 4.648,554 5.258,555 5.447,556 5.513,557 2.984,558 4.771,559 5.06,560 3.804,561 2133.92,562 8.885,563 33222.1,568 361.775,569 1.484,570 5.006,571 0.189,572 0.006,573 0.081,574 0.053,575 0.04,576 0.029,577 0.018,578 0.016,579 0.009,580 0.009,581 0.451,582 0.17,583 0.88,584 1.04,585 182.714,586 -0.022,587 -0.122,588 0.03,589 0.003,590 -0.029,591 0.012,592 0.016,593 0.189,594 0.025,595 0.12,596 0.035,597 0.09,598 -0.082,599 -0.046,600 -0.068,601 -0.074,602 -0.114,603 -0.102,604 0.016,605 -0.107,606 0.123,607 0.001,608 -0.055,609 0.003,610 0.178,611 0.056,612 0.046,613 0.036,614 0.175,615 0.07,616 0.017,617 -0.124,618 0.018,619 -0.1,620 0.03,621 -0.092,622 -0.217,623 -0.025,624 -0.129,625 -0.039,626 -0.198,627 -0.046,628 0.131,629 -0.02,630 0.032,631 -0.034,632 0.091,633 -0.05,634 1.811,635 6.302,636 0.618,637 37.529,638 1.003,639 1.117,640 4.125,641 17.014,642 0.708,643 3.638,644 3.97,645 4.234,646 4.511,647 4.736,648 4.812,649 4.89,650 4.963,651 5.004,652 4.963,653 7.667,654 0.659,655 516.53,656 3.638,657 5.187,658 6.038,659 6.923,660 7.796,661 8.688,662 9.571,663 10.467,664 11.356,665 12.254,666 4.9,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 61,705 19,706 3,707 37,709 64,710 26,711 16,712 6,713 10,717 4,718 5,719 2,724 1,727 2,729 18,730 8,733 2,737 2,741 2,747 27,748 5,749 1,750 8,751 3,755 3,760 0.75,761 2,775 1,776 3,780 1,783 1,784 1,792 1,796 3,797 1,799 1,801 2,802 2,805 34,810 4,811 1,813 1,814 2,815 2,824 2,825 3.3,828 2,832 18,833 11.436,834 7.444,835 3.524,836 3.046,837 1.385,838 0.97,839 8.303,840 10.949,841 3.882,842 4.454,843 4.989,844 5.527,845 6.052,846 6.228,847 6.496,848 6.795,849 7.074,850 6.812,851 1,852 54,853 12.661,854 5.435,855 7.752,856 24.208,857 20.112,859 2.252,860 76.556,864 306.049,865 180.554,866 24.259,867 78.297,868 50.29,870 32.22,871 148.334,872 434.636,873 24.259,874 16.793,875 29.987,876 94.762,877 59.699,878 21.643,879 11.771,880 326.497,881 78.297,882 306.049,883 172.594,884 50.29,885 110.517,887 306.049,888 50.29,891 33.111,892 139.483,893 78.297,894 32.22,895 306.049,896 74.549,897 258.851,900 306.049,901 68.999,902 117.804,903 18.011,904 128.587,905 306.049,906 74.549,907 258.851,909 0.583,910 0.333,911 0.183,912 0.105,913 24,914 12,915 0.125,916 8,917 1,918 1.095,919 4.404,920 316.131,921 0.095,922 21,923 168.974,924 1,928 25.179,929 11.211,930 6.025,931 2.249,932 74.549,933 19.489,938 2.957,940 18.011,941 639.449,942 47.5,946 26.137,950 -0.183,952 61.171,953 68.119,954 0.283,955 0.595,956 0.784,957 0.887,958 0.918,959 0.929,960 5.131,961 1.772,962 6.033,963 5.383,964 4.654,965 5.142,966 3.774,967 6.855,968 4.542,969 6.329,970 1.618,971 7.601,972 4.985,973 4.29,974 4.966,975 2.668,976 7.794,977 4.086,978 7.631,979 1.578,980 9.271,981 4.445,982 6.256,983 7.298,984 6.037,985 10.914,986 6.054,987 8.966,988 1.275,989 11.001,990 3.793,991 6.698,992 7.94,993 5.115,994 12.709,995 6.411,996 10.335,997 1.176,998 12.771,999 3.127,1000 8.157,1001 9.789,1002 8.595,1003 15.36,1004 7.865,1005 11.727,1006 1.011,1007 14.57,1008 2.847,1009 8.98,1010 10.835,1011 7.878,1012 17.51,1013 8.608,1014 13.138,1015 0.737,1016 16.391,1017 2.32,1018 10.242,1019 12.478,1020 11.21,1021 20.002,1022 9.849,1023 3.26,1024 0.478,1025 18.228,1026 1.733,1027 11.243,1028 13.733,1029 10.71,1030 22.301,1031 10.779,1032 3.032,1033 11.432,1034 20.079,1035 1.108,1036 12.431,1037 15.281,1038 13.838,1039 24.738,1040 11.931,1041 2.793,1042 10.196,1043 21.94,1044 4.43,1045 13.515,1046 16.643,1047 13.529,1048 27.1,1049 12.949,1050 2.413,1051 9.024,1052 23.81,1053 3.947,1054 14.677,1055 18.148,1056 16.469,1057 29.52,1058 14.066,1059 2.211,1060 6.989,1061 25.686,1062 3.373,1063 15.8,1064 19.566,1065 16.321,1066 31.911,1067 15.126,1068 2.174,1069 6.307,1070 27.568,1071 2.943,1072 16.955,1073 21.052,1074 19.103,1075 34.328,1076 16.229,1077 2.053,1078 6.013,1079 29.455,1080 2.831,1081 18.098,1082 22.498,1083 19.093,1084 36.734,1085 17.309,1086 16065,1087 27481,1088 24.274,1089 43.188,1090 55.81,1091 59.796,1092 57.677,1093 55.542,1094 55.199,1095 69.942,1096 19.627,1097 159.49,1098 51.828,1099 5.463,1100 6.787,1101 6.559,1102 5.322,1103 5.26,1104 7.43,1105 7.434,1106 18.946,1107 5.028,1108 19.153,1109 1.508,1110 1.616,1111 1.559,1112 1.501,1113 1.492,1114 1.89,1115 0.53,1116 4.311,1117 1.401,1118 4.096,1119 4.118,1120 4.167,1121 4.056,1122 7.432,1123 4.05,1124 3.973,1125 3.994,1126 4.039,1127 3.927,1128 7.423,1129 3.906,1130 3.777,1131 3.811,1132 3.956,1133 3.675,1134 5.015,1135 3.656,1136 3.649,1137 3.719,1138 3.585,1139 3.446,1140 4.895,1141 3.452,1142 3.531,1143 3.584,1144 3.528,1145 3.406,1146 4.628,1147 3.396,1148 3.422,1149 3.47,1150 3.474,1151 3.243,1152 4.352,1153 3.249,1154 3.199,1155 3.277,1156 3.34,1157 3.061,1158 4.344,1159 3.05,1160 3.061,1161 3.122,1162 3.105,1163 2.922,1164 4.174,1165 2.886,1166 0.121,1167 0.129,1168 0.186,1169 0.113,1170 0.088,1171 4.493,1172 0.12,1173 4.787,1174 0.102,1175 6.87,1176 0.309,1177 4.183,1178 0.082,1179 3.26,1180 4.43,1181 3.784,1182 11.432,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.897,1191 1.882,1192 1.953,1193 1.971,1194 1.205,1195 1.98,1196 1.677,1197 1.632,1198 1.887,1199 1.89,1200 1.134,1201 1.899,1202 1.615,1203 1.55,1204 1.793,1205 1.829,1206 1.055,1207 1.825,1208 1.503,1209 1.463,1210 1.686,1211 1.651,1212 0.826,1213 1.66,1214 1.343,1215 1.274,1216 1.603,1217 1.579,1218 0.756,1219 1.595,1220 1.268,1221 1.218,1222 1.493,1223 1.445,1224 0.612,1225 1.476,1226 1.048,1227 1.013,1228 1.417,1229 1.239,1230 0.55,1231 1.308,1232 4.317,1233 5.645,1234 2.398,1235 7.16,1236 4.844,1237 8.766,1238 7.018,1239 10.422,1241 3.937,1242 12.558,1247 1.807,1248 3.002,1250 1.474,1251 -0.723,1252 3.852,1257 40.184,1258 102.427,1259 215.336,1260 283.536,1261 320.755,1262 332.265,1263 336.265,1264 79.407,1265 7.903,1266 52.65,1267 77.95,1268 23,1269 12.779,1270 4.322,1271 3.524,1272 56.821,1273 155,1274 146,1275 0.174,1276 257.496,1277 449.33,1278 620.05,1279 32130,1280 3.3,1281 24.242,1282 0.713,1283 0.631,1284 25.595,1285 21.46,1286 16.329,1287 0.441,1288 0.347,1289 11.149,1290 14.89,1291 10.657,1292 8.796,1293 17.315,1294 12.821,1295 15.031,1296 0.289,1297 0.206,1298 16.426,1299 10.728,1300 12.127,1301 0.178,1302 0.116,1303 13.581,1304 7.904,1305 10.173,1306 0.113,1307 0.069,1308 12.019,1309 6.178,1310 8.251,1311 0.073,1312 0.038,1313 9.537,1314 4.332,1315 0.275,1316 111.338,1317 0.203,1318 31.517,1319 0.472,1320 178,1321 498.361,1322 245.531,1323 565.435,1324 741.16,1325 526,1326 209,1327 466.323,1328 267.198,1329 509.089,1330 748.12,1331 477,1332 4.444}
{0 CHEMBL43698,1 1.723,2 15.175,3 5.667,4 32.117,5 163.639,6 8.348,7 0.279,8 4.392,9 4.509,10 4.075,11 3.983,12 5.416,13 3.921,14 4.982,15 5.16,16 4.495,17 4.416,18 5.984,19 4.314,20 5.283,21 5.492,22 4.616,23 4.588,24 6.273,25 4.452,26 5.351,27 5.573,28 4.679,29 4.576,30 6.373,31 4.419,32 5.305,33 5.545,34 4.54,35 4.473,36 6.447,37 4.347,38 5.252,39 5.473,40 4.542,41 4.452,42 6.371,43 4.333,44 5.233,45 5.442,46 4.55,47 4.417,48 6.447,49 4.321,50 5.185,51 5.381,52 4.546,53 4.419,54 6.445,55 4.301,56 0.055,57 1.063,58 14.337,59 7.177,60 8.797,61 9.246,62 0.403,63 1.792,64 34.3,65 13.009,66 36.139,67 16.797,68 0.646,69 2.166,70 55.353,71 18.58,72 78.51,73 23.197,74 0.875,75 2.225,76 73.358,77 20.212,78 100.354,79 24.646,80 0.986,81 2.129,82 60.609,83 18.428,84 140.041,85 23.664,86 0.793,87 1.983,88 60.546,89 17.719,90 101.891,91 21.731,92 0.938,93 1.935,94 53.577,95 16.186,96 130.829,97 19.47,98 0.991,99 1.853,100 55.665,101 16.744,102 149.744,103 20.014,104 50,105 59,106 0.267,107 0.542,108 0.755,109 0.859,110 0.882,111 0.887,112 3.717,113 1.096,114 -5.34,115 -5.22,116 -4.88,119 38.7,120 1,121 5,125 6,127 1,128 1,138 6,139 3,140 3,151 3,163 9,165 1,166 6,169 2,171 3,172 17,175 1,176 5,179 1,181 2,183 11,187 7,190 1,192 3,194 12,197 3,198 6,201 3,203 4,205 4,208 1,209 9,214 5,217 7,220 1,221 9,226 5,227 6,230 1,231 10,234 2,235 1,236 3,238 6,241 1,242 10,247 1,249 8,252 4022,253 26.62,254 26.62,255 26.62,256 26.62,257 26.62,258 24.544,259 31.013,260 15.827,261 27.385,262 21.184,263 21.184,264 21.184,265 21.184,266 21.184,267 18.001,268 33.379,269 7.544,270 22.574,271 4.506,272 2.736,273 1.367,274 0.697,275 0.543,276 0.517,277 4.407,279 3,283 1,284 1286,285 4.416,287 130.381,288 474.47,295 2.551,296 51.969,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 86,308 607,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.979,315 3.784,316 11.459,317 3.009,318 4.317,319 3.669,320 6.336,321 3.916,322 2.95,323 3.947,324 1.963,325 9.399,326 2.841,327 4.108,328 3.615,329 6.204,330 3.739,331 2.795,332 3.387,333 1.909,334 9.036,335 2.619,336 3.698,337 3.515,338 5.51,339 3.46,340 2.525,341 2.878,342 1.859,343 7.118,344 2.401,345 3.594,346 3.279,347 5.34,348 3.423,349 2.445,350 2.812,351 0.901,352 6.965,353 2.339,354 3.516,355 3.256,356 5.138,357 3.264,358 2.281,359 2.726,360 0.8,361 6.215,362 2.232,363 3.488,364 3.001,365 5.075,366 3.069,367 2.157,368 2.522,369 0.561,370 5.992,371 1.885,372 3.281,373 2.83,374 4.953,375 2.873,376 1.952,377 2.517,378 0.215,379 5.575,380 1.728,381 2.979,382 2.649,383 4.799,384 2.653,385 1.739,386 2.088,388 5.019,389 1.602,390 2.867,391 2.511,392 4.587,393 2.567,394 1.614,395 2.029,397 4.4,398 1.479,399 2.74,400 1.822,401 3.999,402 2.418,403 1.526,404 1.753,406 3.308,407 1.414,408 2.611,409 1.748,410 3.878,411 2.414,412 1.414,413 1.605,415 3.184,416 1.278,417 2.562,418 1.68,419 3.715,420 2.237,421 1.261,422 1.515,424 3.125,425 1.22,426 2.311,427 1.57,428 3.476,429 2.113,430 1.174,431 1.295,433 2.704,434 1.061,435 2,436 1.493,437 3.308,438 1.984,439 1,440 1,442 2.136,443 0.983,444 20.076,445 0.502,446 1.035,447 0.026,448 42,449 1.05,450 16.5,451 0.413,452 25.5,453 0.638,454 49.701,455 1.243,456 44.724,457 0.596,458 34.322,459 0.858,460 7.643,461 0.191,462 11.58,463 0.289,464 0.181,466 0.314,472 0.631,473 1.364,474 0.61,475 0.938,476 0.503,477 0.944,478 0.67,479 1.164,480 0.76,481 0.952,482 0.506,483 0.949,484 0.991,485 1.047,486 0.921,487 0.98,488 0.989,489 0.99,490 1.099,491 1.083,492 0.985,493 1.063,494 1.148,495 1.027,496 0.779,497 0.974,498 0.764,499 0.923,500 0.851,501 0.854,502 1.128,503 1.032,504 0.865,505 0.971,506 1.285,507 0.924,508 1.434,509 0.945,510 0.856,511 0.869,512 1.703,513 0.875,514 1.166,515 1.037,516 1.035,517 1.059,518 1.371,519 0.986,520 8,521 0.361,522 4.667,523 3.201,524 2.353,525 1.616,526 0.992,527 0.805,528 0.497,529 0.432,530 27188,531 77847,532 2.021,533 46.7,534 5,535 19,536 1,538 2,539 2,540 4,541 2,542 1.803,543 1.875,544 3.832,545 0.174,550 129.245,551 1.723,552 3.493,553 4.862,554 5.532,555 5.685,556 5.712,557 3.354,558 5.122,559 5.285,560 4.082,561 3183.76,562 9.355,563 57540.2,568 467.161,569 1.467,570 5.242,571 0.186,572 0.007,573 0.079,574 0.052,575 0.042,576 0.028,577 0.018,578 0.014,579 0.009,580 0.008,581 0.444,582 0.17,583 0.75,584 0.573,585 228.124,586 -0.034,587 -0.127,588 0.023,589 0.003,590 -0.004,591 0.012,592 0.053,593 0.017,594 0.027,595 0.034,596 0.062,597 0.009,598 -0.062,599 0.004,600 -0.007,601 0.018,602 -0.065,603 -0.014,604 -0.049,605 -0.068,606 0.037,607 -0.031,608 -0.07,609 -0.046,610 0.22,611 0.027,612 0.11,613 0.05,614 0.227,615 0.114,616 -0.003,617 -0.033,618 0.052,619 0.005,620 -0.005,621 0.037,622 -0.08,623 0.067,624 0.032,625 0.069,626 -0.06,627 0.048,628 0.108,629 -0.026,630 -0.014,631 -0.035,632 0.12,633 -0.025,634 1.982,635 6.5,636 0.575,637 59.633,638 1.006,639 1.126,640 4.108,641 16.875,642 0.687,643 3.784,644 4.094,645 4.331,646 4.554,647 4.745,648 4.787,649 4.868,650 4.934,651 5.024,652 5.05,653 9.096,654 0.638,655 626.1,656 3.784,657 5.323,658 6.159,659 7.026,660 7.882,661 8.756,662 9.624,663 10.505,664 11.381,665 12.266,666 5.3,669 1,673 3,681 6,686 6,688 12,702 3,703 75,705 15,706 2,707 43,709 78,710 29,711 12,712 6,713 6,717 4,718 4,719 3,721 1,724 4,727 6,729 15,730 14,733 3,737 3,741 3,747 35,748 7,749 2,750 11,751 4,755 4,760 1,761 3,775 1,776 3,783 2,784 1,792 1,796 4,797 1,799 1,801 1,802 3,805 40,810 11,811 2,813 1,814 2,815 2,824 3,825 4,828 3,832 21.333,833 13.412,834 8.861,835 4.714,836 1.628,837 1.205,838 0.953,839 11.893,840 9.577,841 3.97,842 4.466,843 4.883,844 5.292,845 5.721,846 5.769,847 5.865,848 6.078,849 6.308,850 6.343,851 1,852 61,853 14.997,854 6.466,855 7.808,856 28.666,857 23.866,859 2.308,860 92.333,864 388.446,865 157.382,866 42.27,867 117.446,868 75.435,870 32.22,871 125.162,872 581.327,873 42.27,874 8.825,875 64.453,876 56.857,877 89.549,878 23.183,879 11.771,880 408.895,881 117.446,882 388.446,883 167.432,884 75.435,885 149.665,887 317.82,888 146.061,891 76.402,892 91.03,893 117.446,894 32.22,895 388.446,896 117.705,897 274.828,900 388.446,901 91.699,902 71.931,903 36.022,904 192.881,905 388.446,906 117.705,907 274.828,909 0.58,910 0.334,911 0.174,912 0.095,913 25,914 13,915 0.141,916 11,918 1,919 4.966,920 380.541,922 23,923 208.877,924 1,928 31.455,929 15.124,930 8.764,932 117.705,933 10.642,938 4.021,940 36.022,941 780.979,942 52,946 39.235,950 -0.752,952 75.458,953 84.432,954 0.277,955 0.561,956 0.781,957 0.888,958 0.913,959 0.917,960 5.226,961 1.952,962 6.142,963 5.992,964 4.779,965 5.153,966 3.915,967 6.932,968 4.653,969 6.393,970 1.739,971 7.694,972 5.575,973 4.369,974 4.956,975 2.909,976 7.806,977 4.133,978 7.68,979 1.614,980 9.347,981 5.019,982 6.354,983 7.178,984 6.084,985 10.917,986 6.117,987 8.996,988 1.526,989 11.061,990 4.4,991 6.758,992 7.774,993 5.238,994 12.654,995 6.41,996 10.345,997 1.414,998 12.814,999 3.308,1000 8.221,1001 9.524,1002 8.608,1003 15.302,1004 7.862,1005 11.716,1006 1.261,1007 14.597,1008 3.184,1009 9.011,1010 10.485,1011 7.914,1012 17.416,1013 8.543,1014 13.105,1015 1.174,1016 16.402,1017 3.125,1018 10.27,1019 12.05,1020 11.213,1021 19.908,1022 9.772,1023 3.266,1024 1,1025 18.224,1026 2.704,1027 11.247,1028 13.196,1029 10.72,1030 22.192,1031 10.648,1032 2.95,1033 11.459,1034 20.061,1035 2.136,1036 12.428,1037 14.674,1038 13.839,1039 24.633,1040 11.78,1041 2.795,1042 9.399,1043 21.91,1044 3.979,1045 13.497,1046 15.919,1047 13.531,1048 26.994,1049 12.753,1050 2.525,1051 9.036,1052 23.769,1053 3.947,1054 14.653,1055 17.352,1056 16.47,1057 29.42,1058 13.846,1059 2.445,1060 7.118,1061 25.637,1062 3.387,1063 15.766,1064 18.652,1065 16.323,1066 31.817,1067 14.869,1068 2.281,1069 6.965,1070 27.511,1071 2.878,1072 16.918,1073 20.06,1074 19.103,1075 34.242,1076 15.948,1077 2.157,1078 6.215,1079 29.391,1080 2.812,1081 18.055,1082 21.392,1083 19.094,1084 36.657,1085 16.998,1086 26114,1087 44592,1088 28.145,1089 51.551,1090 63.774,1091 68.628,1092 65.846,1093 63.793,1094 63.328,1095 75.554,1096 23.983,1097 178.605,1098 59.031,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.979,1105 7.434,1106 18.973,1107 5.009,1108 23.058,1109 1.483,1110 1.596,1111 1.531,1112 1.484,1113 1.473,1114 1.757,1115 0.558,1116 4.154,1117 1.373,1118 4.002,1119 4.03,1120 4.168,1121 3.944,1122 7.435,1123 3.926,1124 3.933,1125 3.956,1126 4.022,1127 3.889,1128 7.427,1129 3.877,1130 3.863,1131 3.929,1132 3.957,1133 3.708,1134 7.422,1135 3.704,1136 3.77,1137 3.797,1138 3.733,1139 3.668,1140 5.015,1141 3.648,1142 3.648,1143 3.705,1144 3.585,1145 3.46,1146 4.925,1147 3.462,1148 3.509,1149 3.565,1150 3.562,1151 3.306,1152 4.628,1153 3.319,1154 3.347,1155 3.396,1156 3.495,1157 3.158,1158 4.369,1159 3.157,1160 3.172,1161 3.257,1162 3.308,1163 3.03,1164 4.348,1165 3.008,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.093,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.979,1181 3.784,1182 11.459,1183 3.009,1184 1.932,1185 1.909,1186 2.065,1187 2.032,1188 1.419,1189 2.047,1190 1.896,1191 1.882,1192 2.032,1193 2.013,1194 1.215,1195 2.026,1196 1.839,1197 1.773,1198 1.945,1199 1.963,1200 1.19,1201 1.973,1202 1.66,1203 1.622,1204 1.874,1205 1.871,1206 1.169,1207 1.87,1208 1.612,1209 1.558,1210 1.783,1211 1.808,1212 1.094,1213 1.811,1214 1.461,1215 1.406,1216 1.652,1217 1.681,1218 0.873,1219 1.684,1220 1.265,1221 1.214,1222 1.554,1223 1.494,1224 0.825,1225 1.499,1226 1.205,1227 1.125,1228 1.513,1229 1.418,1230 0.692,1231 1.468,1232 4.466,1233 5.778,1234 2.398,1235 7.27,1236 4.844,1237 8.848,1238 7.018,1239 10.474,1241 1.9,1242 18.802,1247 8.525,1248 5.853,1250 1.325,1251 -1.159,1252 3.941,1257 47.855,1258 129.245,1259 261.985,1260 364.632,1261 414.897,1262 426.407,1263 428.407,1264 121.791,1265 7.949,1266 81.75,1267 107.05,1268 23,1269 12.801,1270 4,1271 3.322,1272 73.023,1273 207,1274 252,1275 0.16,1276 308.324,1277 549.77,1278 744.07,1279 33867,1280 4,1281 28.648,1282 0.716,1283 0.641,1284 30.501,1285 25.643,1286 19.223,1287 0.447,1288 0.365,1289 13.665,1290 17.367,1291 13.168,1292 10.803,1293 20.498,1294 15.71,1295 17.317,1296 0.294,1297 0.216,1298 19.083,1299 12.758,1300 14.161,1301 0.189,1302 0.13,1303 16.022,1304 9.761,1305 11.213,1306 0.119,1307 0.078,1308 13.287,1309 7.288,1310 8.768,1311 0.077,1312 0.044,1313 10.244,1314 4.987,1315 0.255,1316 132.738,1317 0.188,1318 36.425,1319 0.428,1320 204,1321 598.633,1322 291.651,1323 683.497,1324 879.1,1325 634,1326 236,1327 532.216,1328 309.956,1329 578.332,1330 849.34,1331 544,1332 5.699}
{0 CHEMBL43706,1 1.654,2 14.538,3 5.502,4 30.275,5 158.867,6 8.148,7 0.395,8 4.363,9 4.472,10 4.038,11 3.97,12 5.376,13 3.914,14 4.95,15 5.113,16 4.443,17 4.404,18 5.931,19 4.311,20 5.235,21 5.438,22 4.541,23 4.572,24 6.175,25 4.442,26 5.292,27 5.51,28 4.619,29 4.574,30 6.26,31 4.418,32 5.287,33 5.527,34 4.427,35 4.514,36 6.276,37 4.363,38 5.257,39 5.48,40 4.466,41 4.481,42 6.278,43 4.334,44 5.235,45 5.464,46 4.409,47 4.427,48 6.262,49 4.299,50 5.164,51 5.37,52 4.515,53 4.436,54 6.277,55 4.313,56 0.02,57 0.997,58 14.039,59 7.007,60 7.584,61 8.886,62 0.357,63 1.733,64 32.772,65 12.581,66 31.653,67 15.71,68 0.521,69 2.137,70 50.668,71 17.848,72 58.127,73 22.164,74 0.623,75 2.238,76 64.218,77 19.483,78 73.815,79 23.985,80 0.658,81 2.223,82 55.314,83 19.393,84 90.883,85 24.655,86 0.605,87 2.066,88 59.885,89 18.924,90 85.7,91 23.206,92 0.645,93 2.017,94 54.408,95 17.218,96 85.675,97 21.443,98 0.722,99 1.895,100 52.181,101 16.471,102 96.818,103 20.031,104 17,105 59,106 0.257,107 0.552,108 0.746,109 0.848,110 0.881,111 0.89,112 3.693,113 1.056,114 -5.35,115 -5.23,116 -4.89,119 41.7,121 3,125 7,127 1,128 1,138 10,139 4,140 2,151 2,163 14,165 1,166 5,169 1,171 2,172 23,175 1,176 6,181 2,183 16,187 7,192 4,194 16,197 3,198 5,201 2,203 3,205 9,209 9,214 2,217 13,220 1,221 9,226 2,227 8,230 1,231 12,236 4,238 7,242 9,249 8,252 3468,253 26.62,254 26.62,255 26.62,256 26.62,257 26.62,258 24.269,259 27.333,260 15.959,261 27.407,262 21.248,263 21.248,264 21.248,265 21.248,266 21.248,267 17.671,268 29.202,269 7.605,270 22.596,271 4.516,272 2.619,273 1.371,274 0.715,275 0.5,276 0.444,277 4.399,279 2,283 1,284 1238,285 3.937,287 118.148,288 527.781,292 206.514,295 2.347,296 40.306,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.83,305 1,306 0.76,307 83.167,308 567,309 4.493,310 4.787,311 6.869,312 4.183,313 3.26,314 4.43,315 3.784,316 11.431,317 3.028,318 4.427,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.909,325 10.196,326 2.998,327 4.101,328 3.525,329 6.202,330 3.737,331 2.792,332 3.373,333 1.864,334 9.024,335 2.619,336 3.675,337 3.284,338 5.479,339 3.439,340 2.522,341 2.943,342 0.896,343 6.987,344 2.343,345 3.522,346 3.104,347 5.34,348 3.382,349 2.405,350 2.831,351 0.86,352 6.959,353 2.305,354 3.509,355 3.015,356 5.22,357 3.112,358 2.174,359 2.725,360 0.8,361 6.307,362 2.076,363 3.456,364 2.884,365 5.086,366 3.032,367 2.069,368 2.522,369 0.561,370 6.003,371 1.888,372 3.118,373 2.652,374 4.852,375 2.796,376 1.853,377 2.427,379 5.265,380 1.713,381 3.016,382 2.29,383 4.628,384 2.618,385 1.646,386 2.103,388 4.499,389 1.618,390 2.855,391 2.177,392 4.162,393 2.532,394 1.618,395 1.907,397 3.794,398 1.433,399 2.77,400 1.953,401 4.002,402 2.425,403 1.549,404 1.892,406 3.346,407 1.282,408 2.592,409 1.68,410 3.754,411 2.275,412 1.288,413 1.592,415 3.128,416 1.273,417 2.562,418 1.618,419 3.599,420 2.197,421 1.27,422 1.518,424 2.853,425 1.154,426 2.405,427 1.353,428 3.546,429 2.112,430 1.173,431 1.367,433 2.798,434 1.064,435 2.313,436 1.352,437 3.392,438 1.991,439 1.004,440 1.296,442 2.303,443 0.985,444 19.462,445 0.499,446 0.853,447 0.022,448 44,449 1.128,450 19,451 0.487,452 25,453 0.641,454 44.4,455 1.138,456 42.338,457 0.588,458 34.495,459 0.884,460 8.231,461 0.211,462 10.76,463 0.276,464 0.108,466 0.298,472 0.67,473 1.279,474 0.63,475 0.942,476 0.519,477 0.926,478 0.917,479 1.098,480 0.85,481 0.95,482 0.595,483 0.944,484 1.025,485 1.005,486 0.957,487 0.967,488 0.994,489 0.974,490 0.936,491 1.116,492 0.928,493 1.074,494 1.144,495 1.044,496 0.724,497 0.956,498 0.826,499 0.964,500 0.797,501 0.929,502 1.039,503 1.083,504 0.97,505 1.079,506 1.269,507 1.028,508 1.318,509 0.961,510 0.964,511 0.893,512 1.598,513 0.897,514 1.165,515 0.96,516 1.036,517 0.967,518 1.368,519 0.931,520 6.5,521 0.312,522 4.222,523 2.951,524 2.1,525 1.348,526 0.767,527 0.721,528 0.487,529 0.413,530 26464,531 71324,532 2.11,533 45.8,535 25,536 1,538 1,539 2,540 4,542 1.797,543 2,544 3.793,545 -0.383,550 119.053,551 1.654,552 3.551,553 4.799,554 5.455,555 5.67,556 5.725,557 3.267,558 5.029,559 5.253,560 4.015,561 2974.87,562 9.284,563 52306,568 444.235,569 1.309,570 5.228,571 0.151,572 0.006,573 0.072,574 0.048,575 0.037,576 0.025,577 0.015,578 0.014,579 0.009,580 0.008,581 0.384,582 0.17,583 0.75,584 0.472,585 220.093,586 -0.017,587 -0.12,588 0.037,589 -0.006,590 -0.003,591 0.013,592 -0.034,593 0.047,594 -0.016,595 0.038,596 0.012,597 -0.005,598 -0.079,599 0.038,600 -0.019,601 0.034,602 -0.07,603 -0.001,604 -0.001,605 -0.089,606 0.078,607 -0.037,608 -0.037,609 -0.056,610 0.141,611 0.053,612 0.06,613 0.039,614 0.171,615 0.061,616 0.007,617 -0.103,618 0.022,619 -0.066,620 0.012,621 -0.04,622 -0.11,623 0.025,624 0.01,625 0.069,626 -0.096,627 0.063,628 0.044,629 0.047,630 0.039,631 0.041,632 0.063,633 0.037,634 1.802,635 6.577,636 0.692,637 52.592,638 1.002,639 1.119,640 4.119,641 16.967,642 0.693,643 3.784,644 4.094,645 4.369,646 4.635,647 4.844,648 4.875,649 4.97,650 5.069,651 5.165,652 5.187,653 8.747,654 0.646,655 586.63,656 3.784,657 5.323,658 6.172,659 7.045,660 7.912,661 8.793,662 9.668,663 10.554,664 11.435,665 12.325,666 4.2,669 1,673 2,680 2,681 10,686 4,688 17,702 2,703 72,705 19,706 3,707 43,709 76,710 30,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 4,729 18,730 12,733 2,737 2,741 2,747 33,748 6,749 1,750 9,751 3,755 3,760 0.8,761 3,775 1,776 4,780 1,783 1,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 39,810 10,811 1,812 1,813 1,814 2,815 2,824 2,825 4.2,828 2,829 1,832 19.5,833 12.602,834 8.611,835 4.491,836 2.817,837 1.34,838 0.976,839 9.96,840 11.094,841 3.998,842 4.533,843 5.055,844 5.574,845 6.083,846 6.241,847 6.512,848 6.813,849 7.096,850 6.853,851 0.9,852 61,853 14.571,854 6.291,855 7.681,856 28.227,857 23.806,859 2.181,860 85.056,864 376.675,865 182.226,866 24.259,867 78.297,868 61.29,870 32.22,871 150.007,872 516.262,873 24.259,875 48.452,876 94.762,877 70.699,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 174.266,884 61.29,885 110.517,887 329.591,888 97.374,889 11,891 51.576,892 122.69,893 78.297,894 32.22,895 376.675,896 85.549,897 260.524,900 376.675,901 87.464,902 101.011,903 18.011,904 139.587,905 376.675,906 85.549,907 260.524,909 0.576,910 0.337,911 0.187,912 0.103,913 27,914 12,915 0.132,916 10,917 1,918 1.074,919 4.971,920 379.325,921 0.074,922 27,923 200.131,924 1,928 28.563,929 13.6,930 7.222,931 2.255,932 85.549,933 19.609,938 2.998,940 18.011,941 722.748,942 53.5,946 26.573,950 -0.147,952 72.149,953 80.574,954 0.268,955 0.576,956 0.778,957 0.884,958 0.919,959 0.928,960 5.243,961 1.853,962 6.142,963 6.003,964 4.779,965 5.22,966 3.808,967 6.942,968 4.663,969 6.411,970 1.646,971 7.691,972 5.265,973 4.29,974 4.966,975 2.668,976 7.83,977 4.086,978 7.699,979 1.618,980 9.345,981 4.499,982 6.354,983 7.334,984 6.04,985 10.962,986 6.144,987 9.02,988 1.549,989 11.062,990 3.794,991 6.723,992 7.947,993 5.115,994 12.737,995 6.432,996 10.379,997 1.288,998 12.823,999 3.346,1000 8.231,1001 9.803,1002 8.596,1003 15.384,1004 7.927,1005 11.764,1006 1.27,1007 14.615,1008 3.128,1009 9.011,1010 10.84,1011 7.878,1012 17.525,1013 8.633,1014 13.169,1015 1.173,1016 16.429,1017 2.853,1018 10.294,1019 12.483,1020 11.21,1021 20.013,1022 9.89,1023 3.26,1024 1.004,1025 18.261,1026 2.798,1027 11.272,1028 13.736,1029 10.71,1030 22.307,1031 10.8,1032 3.032,1033 11.431,1034 20.107,1035 2.303,1036 12.466,1037 15.283,1038 13.838,1039 24.742,1040 11.957,1041 2.792,1042 10.196,1043 21.964,1044 4.43,1045 13.537,1046 16.644,1047 13.529,1048 27.102,1049 12.965,1050 2.522,1051 9.024,1052 23.83,1053 3.947,1054 14.7,1055 18.149,1056 16.469,1057 29.521,1058 14.082,1059 2.405,1060 6.987,1061 25.703,1062 3.373,1063 15.815,1064 19.566,1065 16.321,1066 31.912,1067 15.136,1068 2.174,1069 6.959,1070 27.582,1071 2.943,1072 16.97,1073 21.053,1074 19.103,1075 34.328,1076 16.239,1077 2.069,1078 6.307,1079 29.466,1080 2.831,1081 18.107,1082 22.499,1083 19.093,1084 36.734,1085 17.315,1086 24671,1087 40745,1088 29.126,1089 49.926,1090 63.882,1091 68.297,1092 65.341,1093 63.949,1094 63.563,1095 78.313,1096 21.347,1097 179.339,1098 59.587,1099 5.493,1100 6.787,1101 6.671,1102 5.321,1103 5.26,1104 7.43,1105 7.434,1106 18.945,1107 5.028,1108 16.868,1109 1.486,1110 1.588,1111 1.52,1112 1.487,1113 1.478,1114 1.821,1115 0.496,1116 4.171,1117 1.386,1118 4.097,1119 4.12,1120 4.168,1121 4.057,1122 7.432,1123 4.051,1124 3.976,1125 4,1126 4.039,1127 3.929,1128 7.423,1129 3.908,1130 3.827,1131 3.883,1132 3.957,1133 3.688,1134 5.015,1135 3.675,1136 3.76,1137 3.79,1138 3.698,1139 3.607,1140 4.896,1141 3.604,1142 3.608,1143 3.666,1144 3.584,1145 3.439,1146 4.629,1147 3.439,1148 3.504,1149 3.553,1150 3.508,1151 3.395,1152 4.626,1153 3.382,1154 3.405,1155 3.45,1156 3.402,1157 3.237,1158 4.348,1159 3.238,1160 3.185,1161 3.254,1162 3.334,1163 3.055,1164 4.241,1165 3.044,1166 0.104,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.493,1172 0.103,1173 4.787,1174 0.088,1175 6.869,1176 0.266,1177 4.183,1178 0.07,1179 3.26,1180 4.43,1181 3.784,1182 11.431,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.342,1189 2.147,1190 1.898,1191 1.883,1192 2.007,1193 2.007,1194 1.325,1195 2.011,1196 1.776,1197 1.713,1198 1.941,1199 1.954,1200 1.191,1201 1.965,1202 1.659,1203 1.622,1204 1.856,1205 1.859,1206 1.144,1207 1.858,1208 1.592,1209 1.535,1210 1.789,1211 1.794,1212 1.077,1213 1.805,1214 1.502,1215 1.463,1216 1.683,1217 1.63,1218 0.827,1219 1.651,1220 1.306,1221 1.252,1222 1.53,1223 1.542,1224 0.825,1225 1.541,1226 1.261,1227 1.214,1228 1.513,1229 1.433,1230 0.798,1231 1.467,1232 4.466,1233 5.778,1234 2.398,1235 7.283,1236 4.844,1237 8.879,1238 7.018,1239 10.524,1242 12.716,1247 7.5,1248 3.033,1249 5.437,1250 1.5,1251 -0.713,1252 4.294,1257 46.479,1258 119.053,1259 255.689,1260 345.506,1261 392.725,1262 408.235,1263 412.235,1264 87.283,1265 8.277,1266 61.88,1267 87.18,1268 29,1269 12.856,1270 4.322,1271 3.524,1272 61.298,1273 200,1274 216,1275 0.142,1276 292.468,1277 514.96,1278 705.382,1279 52447,1280 2.8,1281 27.192,1282 0.697,1283 0.618,1284 28.545,1285 24.111,1286 18.991,1287 0.442,1288 0.352,1289 13.434,1290 17.42,1291 13.03,1292 10.634,1293 19.977,1294 15.136,1295 16.848,1296 0.286,1297 0.205,1298 18.243,1299 12.086,1300 14.175,1301 0.182,1302 0.12,1303 15.628,1304 9.343,1305 11.936,1306 0.117,1307 0.072,1308 13.782,1309 7.312,1310 9.607,1311 0.076,1312 0.041,1313 10.9,1314 5.146,1315 0.226,1316 128.139,1317 0.185,1318 35.566,1319 0.38,1320 204,1321 568.097,1322 275.075,1323 623.609,1324 821.6,1325 584,1326 239,1327 520.664,1328 300.605,1329 557.962,1330 825.09,1331 527,1332 4.745}
{0 CHEMBL43758,1 1.714,2 15.738,3 4.196,4 17.602,5 167.177,6 8.285,7 0.37,8 4.422,9 4.531,10 4.102,11 4.006,12 5.475,13 3.962,14 5.001,15 5.163,16 4.505,17 4.433,18 6.031,19 4.353,20 5.284,21 5.481,22 4.68,23 4.608,24 6.309,25 4.492,26 5.337,27 5.549,28 4.63,29 4.598,30 6.351,31 4.462,32 5.334,33 5.557,34 4.649,35 4.538,36 6.495,37 4.419,38 5.296,39 5.517,40 4.524,41 4.483,42 6.404,43 4.376,44 5.255,45 5.458,46 4.558,47 4.437,48 6.49,49 4.352,50 5.184,51 5.365,52 4.566,53 4.426,54 6.486,55 4.329,56 0.066,57 1.081,58 14.293,59 7.216,60 10.343,61 8.971,62 0.484,63 1.835,64 33.506,65 12.801,66 39.406,67 15.831,68 0.796,69 2.237,70 54.821,71 18.161,72 84.328,73 22.153,74 0.747,75 2.316,76 62.478,77 19.693,78 89.98,79 24.03,80 0.995,81 2.258,82 61.728,83 19.057,84 139.213,85 24.01,86 0.819,87 2.134,88 57.371,89 17.984,90 105.258,91 22.067,92 1.049,93 2.007,94 56.448,95 16.48,96 132.545,97 19.49,98 1.012,99 1.905,100 50.999,101 16.359,102 153.615,103 19.146,104 26,105 63,106 0.263,107 0.559,108 0.747,109 0.856,110 0.886,111 0.894,112 3.765,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 40.8,121 2,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 14,165 1,166 4,169 2,171 3,172 20,175 2,176 4,179 1,181 2,183 19,187 6,190 1,192 4,194 12,197 3,198 9,201 3,203 5,205 7,208 1,209 8,214 4,217 6,220 1,221 11,224 1,226 3,227 9,230 1,231 9,234 2,235 1,236 4,238 7,241 2,242 10,247 2,249 8,252 4432,253 28.534,254 28.534,255 28.534,256 28.534,257 28.534,258 26.001,259 29.641,260 17.095,261 29.31,262 22.705,263 22.705,264 22.705,265 22.705,266 22.705,267 18.834,268 33.819,269 8.134,270 24.064,271 4.534,272 2.606,273 1.378,274 0.668,275 0.474,276 0.421,277 4.468,279 2,283 1,284 1435,285 4.416,287 130.423,288 586.309,292 228.383,295 2.761,296 52.683,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90.667,308 661,309 4.493,310 4.788,311 6.899,312 4.199,313 3.278,314 4.43,315 3.784,316 11.531,317 3.029,318 4.466,319 3.681,320 6.506,321 4.03,322 3.032,323 4.033,324 1.963,325 10.196,326 3.01,327 4.157,328 3.615,329 6.347,330 3.794,331 2.87,332 3.397,333 1.909,334 9.433,335 2.636,336 3.707,337 3.523,338 5.647,339 3.455,340 2.525,341 2.945,342 1.859,343 7.312,344 2.408,345 3.602,346 3.345,347 5.34,348 3.426,349 2.455,350 2.832,351 0.901,352 6.966,353 2.31,354 3.517,355 3.109,356 5.288,357 3.278,358 2.289,359 2.743,360 0.86,361 6.419,362 2.247,363 3.477,364 3.077,365 5.21,366 3.095,367 2.139,368 2.606,369 0.8,370 6.306,371 2.065,372 3.388,373 2.885,374 4.984,375 2.998,376 2.021,377 2.519,378 0.561,379 5.805,380 1.854,381 3.118,382 2.29,383 4.748,384 2.618,385 1.684,386 2.427,387 0.215,388 4.863,389 1.618,390 2.869,391 2.257,392 4.404,393 2.603,394 1.618,395 2.032,397 3.795,398 1.535,399 2.779,400 2.176,401 4.161,402 2.478,403 1.563,404 1.904,406 3.7,407 1.413,408 2.765,409 1.816,410 3.855,411 2.36,412 1.414,413 1.779,415 3.308,416 1.285,417 2.612,418 1.719,419 3.715,420 2.275,421 1.278,422 1.607,424 3.162,425 1.274,426 2.583,427 1.678,428 3.599,429 2.179,430 1.274,431 1.532,433 2.847,434 1.138,435 2.402,436 1.618,437 3.481,438 2.156,439 1.26,440 1.358,442 2.706,443 1.071,444 20.695,445 0.493,446 0.942,447 0.022,448 47.75,449 1.137,450 20.5,451 0.488,452 27.25,453 0.649,454 47.496,455 1.131,456 45.905,457 0.604,458 40.781,459 0.971,460 9.234,461 0.22,462 11.168,463 0.266,464 0.117,466 0.304,472 0.682,473 1.314,474 0.63,475 0.953,476 0.518,477 0.922,478 0.866,479 1.106,480 0.851,481 0.955,482 0.589,483 0.946,484 0.984,485 0.969,486 0.884,487 0.929,488 1.008,489 0.957,490 0.995,491 1.097,492 0.999,493 1.087,494 1.158,495 1.044,496 0.783,497 1.048,498 0.81,499 0.976,500 0.878,501 0.924,502 1.169,503 1.011,504 0.976,505 0.969,506 1.305,507 0.919,508 1.446,509 0.886,510 1.08,511 0.93,512 1.693,513 0.904,514 1.166,515 1.082,516 1.054,517 1.11,518 1.552,519 1.032,520 7,521 0.356,522 4.667,523 3.076,524 2.295,525 1.539,526 1.059,527 0.743,528 0.509,529 0.397,530 32433,531 90386,532 2.088,533 44.7,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.862,545 0.149,550 130.289,551 1.714,552 3.642,553 4.87,554 5.58,555 5.774,556 5.827,557 3.358,558 5.107,559 5.357,560 4.124,561 3550.37,562 9.495,563 66300.8,568 474.842,569 1.351,570 5.33,571 0.152,572 0.006,573 0.074,574 0.047,575 0.038,576 0.024,577 0.018,578 0.013,579 0.009,580 0.007,581 0.388,582 0.17,583 0.63,584 0.494,585 242.863,586 -0.038,587 -0.126,588 0.033,589 -0.006,590 -0.011,591 0.013,592 -0.02,593 0.051,594 -0.018,595 0.039,596 0.008,597 -0.007,598 -0.026,599 0.079,600 0.06,601 0.078,602 -0.062,603 0.015,604 -0.056,605 -0.074,606 0.012,607 -0.044,608 -0.085,609 -0.052,610 0.209,611 -0.049,612 0.155,613 0.022,614 0.215,615 0.06,616 -0.055,617 -0.019,618 0.016,619 0.015,620 -0.028,621 0.051,622 -0.078,623 0.114,624 -0.022,625 0.038,626 -0.04,627 0.035,628 0.121,629 -0.077,630 -0.002,631 -0.077,632 0.115,633 -0.073,634 1.994,635 6.593,636 0.643,637 62.145,638 1.008,639 1.122,640 3.131,641 9.801,642 0.689,643 3.85,644 4.159,645 4.431,646 4.682,647 4.898,648 4.927,649 5.05,650 5.112,651 5.176,652 5.204,653 9.367,654 0.648,655 629.66,656 3.85,657 5.389,658 6.236,659 7.107,660 7.974,661 8.854,662 9.73,663 10.615,664 11.499,665 12.388,666 5.3,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 76,705 20,706 3,707 46,709 80,710 31,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.3,828 3,829 1,832 21.333,833 13.269,834 9.306,835 4.602,836 2.781,837 1.332,838 0.971,839 11.046,840 11.154,841 4.069,842 4.595,843 5.101,844 5.604,845 6.109,846 6.259,847 6.565,848 6.838,849 7.118,850 6.911,851 0.909,852 66,853 15.736,854 6.844,855 7.791,856 30.012,857 25.076,859 2.291,860 96.222,864 376.675,865 186.502,866 42.27,867 78.297,868 86.435,870 32.22,871 154.283,872 541.407,873 42.27,875 66.034,876 94.762,877 100.549,878 21.643,879 11.771,880 397.124,881 78.297,882 376.675,883 196.553,884 86.435,885 110.517,887 353.133,888 98.977,889 11,891 69.158,892 127.395,893 78.297,894 32.22,895 376.675,896 128.705,897 264.8,900 376.675,901 91.74,902 101.011,903 36.022,904 164.732,905 376.675,906 128.705,907 264.8,909 0.576,910 0.338,911 0.183,912 0.102,913 28,914 13,915 0.138,916 11,917 1,918 1.074,919 5.184,920 416.95,921 0.074,922 27,923 220.477,924 1,928 31.111,929 14.912,930 7.998,931 2.173,932 128.705,933 19.233,938 2.344,940 36.022,941 770.18,942 57.5,946 39.545,950 -0.765,952 76.578,953 85.282,954 0.274,955 0.583,956 0.779,957 0.893,958 0.924,959 0.933,960 5.314,961 2.021,962 6.209,963 6.306,964 4.844,965 5.283,966 3.944,967 7.009,968 4.734,969 6.484,970 1.684,971 7.761,972 5.805,973 4.369,974 5.047,975 2.909,976 7.904,977 4.189,978 7.773,979 1.618,980 9.418,981 4.863,982 6.422,983 7.388,984 6.086,985 11.038,986 6.216,987 9.096,988 1.563,989 11.14,990 3.795,991 6.804,992 8.018,993 5.238,994 12.814,995 6.519,996 10.456,997 1.414,998 12.904,999 3.7,1000 8.302,1001 9.854,1002 8.608,1003 15.469,1004 7.994,1005 11.841,1006 1.278,1007 14.699,1008 3.308,1009 9.091,1010 10.905,1011 7.914,1012 17.609,1013 8.703,1014 13.248,1015 1.274,1016 16.516,1017 3.162,1018 10.369,1019 12.537,1020 11.213,1021 20.105,1022 9.95,1023 3.278,1024 1.26,1025 18.351,1026 2.847,1027 11.353,1028 13.798,1029 10.72,1030 22.4,1031 10.859,1032 3.032,1033 11.531,1034 20.199,1035 2.706,1036 12.546,1037 15.339,1038 13.839,1039 24.842,1040 12.009,1041 2.87,1042 10.196,1043 22.058,1044 4.43,1045 13.621,1046 16.705,1047 13.531,1048 27.205,1049 13.015,1050 2.525,1051 9.433,1052 23.926,1053 4.033,1054 14.785,1055 18.207,1056 16.47,1057 29.631,1058 14.129,1059 2.455,1060 7.312,1061 25.801,1062 3.397,1063 15.904,1064 19.626,1065 16.323,1066 32.027,1067 15.182,1068 2.289,1069 6.966,1070 27.682,1071 2.945,1072 17.06,1073 21.11,1074 19.103,1075 34.45,1076 16.283,1077 2.139,1078 6.419,1079 29.569,1080 2.832,1081 18.201,1082 22.556,1083 19.094,1084 36.863,1085 17.359,1086 30367,1087 50982,1088 30.917,1089 52.387,1090 68.388,1091 73.658,1092 70.081,1093 68.234,1094 67.988,1095 83.816,1096 25.703,1097 191.656,1098 63.998,1099 5.493,1100 6.788,1101 6.701,1102 5.34,1103 5.278,1104 7.43,1105 7.434,1106 19.144,1107 5.029,1108 19.664,1109 1.487,1110 1.601,1111 1.523,1112 1.483,1113 1.478,1114 1.822,1115 0.559,1116 4.166,1117 1.391,1118 4.097,1119 4.12,1120 4.185,1121 4.057,1122 7.435,1123 4.051,1124 3.976,1125 3.997,1126 4.041,1127 3.929,1128 7.427,1129 3.908,1130 3.83,1131 3.89,1132 3.968,1133 3.677,1134 7.422,1135 3.665,1136 3.769,1137 3.797,1138 3.708,1139 3.616,1140 5.035,1141 3.619,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 4.896,1147 3.449,1148 3.54,1149 3.593,1150 3.496,1151 3.402,1152 4.628,1153 3.4,1154 3.442,1155 3.49,1156 3.399,1157 3.275,1158 4.489,1159 3.282,1160 3.322,1161 3.368,1162 3.34,1163 3.145,1164 4.348,1165 3.141,1166 0.098,1167 0.104,1168 0.15,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.788,1174 0.082,1175 6.899,1176 0.251,1177 4.199,1178 0.066,1179 3.278,1180 4.43,1181 3.784,1182 11.531,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.299,1195 2.002,1196 1.766,1197 1.701,1198 1.949,1199 1.961,1200 1.176,1201 1.971,1202 1.659,1203 1.626,1204 1.827,1205 1.869,1206 1.107,1207 1.858,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.087,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.682,1218 0.871,1219 1.685,1220 1.434,1221 1.379,1222 1.637,1223 1.606,1224 0.825,1225 1.632,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.533,1233 5.844,1234 2.398,1235 7.347,1236 4.844,1237 8.94,1238 7.018,1239 10.584,1242 12.834,1247 5.647,1248 5.907,1249 5.379,1250 1.318,1251 -1.203,1252 3.811,1257 49.216,1258 130.289,1259 276.787,1260 370.113,1261 424.088,1262 438.842,1263 442.842,1264 110.737,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.919,1270 4.392,1271 3.644,1272 68.712,1273 227,1274 272,1275 0.138,1276 309.924,1277 549.41,1278 747.973,1279 60113,1280 2.6,1281 29.476,1282 0.702,1283 0.608,1284 30.83,1285 25.519,1286 20.402,1287 0.444,1288 0.344,1289 14.067,1290 18.743,1291 13.664,1292 11.152,1293 21.387,1294 15.803,1295 18.061,1296 0.287,1297 0.197,1298 19.381,1299 12.436,1300 15.281,1301 0.184,1302 0.118,1303 17.129,1304 9.797,1305 12.446,1306 0.116,1307 0.068,1308 14.052,1309 7.238,1310 10.183,1311 0.077,1312 0.038,1313 11.572,1314 5.11,1315 0.221,1316 137.635,1317 0.18,1318 37.856,1319 0.367,1320 218,1321 650.165,1322 293.01,1323 698.159,1324 913.56,1325 652,1326 255,1327 578.99,1328 327.727,1329 615.214,1330 908.85,1331 580,1332 4.745}
{0 CHEMBL438248,1 1.405,2 7.353,3 4.692,4 22.019,5 74.505,6 7.04,7 0.611,8 3.608,9 3.74,10 3.2,11 3.239,12 4.607,13 3.139,14 4.125,15 4.324,16 3.588,17 3.603,18 5.037,19 3.49,20 4.316,21 4.513,22 3.442,23 3.69,24 5.25,25 3.528,26 4.535,27 4.849,28 3.465,29 3.677,30 5.276,31 3.44,32 4.158,33 4.4,34 3.172,35 3.459,36 4.941,37 3.202,38 3.804,39 4.044,40 2.997,41 3.158,42 4.674,43 3.001,44 3.814,45 4.058,46 2.749,47 3.168,48 4.599,49 2.984,50 3.758,51 3.965,52 2.481,53 3.112,54 4.574,55 2.906,56 0.041,57 0.5,58 8.563,59 3.575,60 7.635,61 4.821,62 0.127,63 0.816,64 16.511,65 5.902,66 13.648,67 8.112,68 0.104,69 0.958,70 18.011,71 6.927,72 19.156,73 9.551,74 0.187,75 1.091,76 25.693,77 8.794,78 26.267,79 11.712,80 0.143,81 0.834,82 24.904,83 7.758,84 15.215,85 8.553,86 0.108,87 0.574,88 12.172,89 3.901,90 12.167,91 5.228,92 0.076,93 0.544,94 13.296,95 4.871,96 10.31,97 6.177,98 0.03,99 0.491,100 8.894,101 4.266,102 9.569,103 6.057,104 18,105 26,106 0.261,107 0.596,108 0.71,109 0.752,110 0.752,111 0.752,112 2.907,113 1.104,114 -4.78,115 -4.69,116 -4.41,119 40,120 4,123 1,138 4,139 1,140 1,142 1,147 1,155 1,163 8,166 2,169 1,171 3,172 9,176 3,181 2,183 4,187 2,192 3,194 6,198 2,203 3,205 2,209 2,217 4,227 8,238 8,249 6,252 294,253 10.781,254 10.781,255 10.781,256 10.781,257 10.781,258 9.45,259 17.976,260 6.263,261 11.093,262 8.907,263 8.907,264 8.907,265 8.907,266 8.907,267 6.931,268 28.688,269 3.017,270 9.442,271 3.725,272 1.925,273 1.315,274 1.087,275 1.087,276 1.087,277 3.551,282 1,283 1,284 256,285 3,287 47.767,288 57.477,295 1.197,296 7.072,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 35,308 125,309 4.472,310 3.55,311 7.118,312 4.311,313 3.328,314 3.925,315 0.4,316 11.699,317 3.278,318 4.069,319 2.876,320 5.652,321 3.675,322 2.719,323 3.642,325 7.91,326 2.623,327 3.739,328 2.525,329 5.267,330 3.299,331 2.397,332 3.021,334 6.763,335 2.138,336 3.252,337 2.062,338 4.724,339 2.868,340 1.903,341 2.499,343 5.227,344 1.819,345 2.714,346 1.427,347 4.36,348 2.297,349 1.349,350 1.793,352 3.953,353 1.271,354 2.617,355 1.197,356 3.481,357 2.148,358 1.165,359 1.663,361 2.585,362 1.138,363 2.167,364 0.702,365 3.283,366 1.478,367 0.687,368 1.01,370 1.681,371 0.534,372 1.181,373 0.046,374 2.891,375 0.823,376 -0.112,377 -0.139,379 -0.311,380 -0.104,381 0.885,382 -0.134,383 2.53,384 0.569,385 -0.425,386 -0.527,388 -0.985,389 -0.423,390 0.486,391 -0.777,392 2,393 0.049,394 -0.915,395 -1,397 -2.524,398 -0.875,399 0.064,400 -1,401 2,403 -1,404 -1,406 -3,407 -1,409 -1,410 2,412 -1,413 -1.191,415 -3,416 -1,418 -1.042,419 1.847,420 -0.342,421 -1.27,422 -1.564,424 -3.393,425 -1.059,426 -0.044,427 -1.206,428 1.399,429 -0.421,430 -1.37,431 -1.802,433 -3.853,434 -1.326,435 -0.17,436 -1.486,437 1.185,438 -0.644,439 -1.58,440 -2.129,442 -4.565,443 -1.488,444 8.633,445 0.508,446 0.637,447 0.037,448 20.5,449 1.206,450 10.5,451 0.618,452 10,453 0.588,454 14.877,455 0.875,456 18.367,457 0.525,458 10.769,459 0.633,460 3.539,461 0.208,462 4.409,463 0.259,464 0.232,465 0.058,466 0.232,472 0.978,473 1.176,474 0.835,475 0.945,476 1.235,477 0.989,478 0.565,479 1.06,480 0.766,481 0.928,482 0.471,483 0.821,484 1.251,485 1.462,486 1.073,487 1.241,488 1.336,489 1.353,490 1.303,491 0.72,492 0.76,493 0.647,494 1.198,495 0.717,496 1.72,497 1.311,498 2.254,499 1.762,500 1.032,501 1.194,502 2.193,503 0.789,504 1.13,505 0.805,506 1.447,507 0.872,508 1.095,509 0.848,510 1.361,511 1.15,512 0.965,513 0.992,514 0.433,515 1.331,516 0.949,517 1.3,518 1.256,519 1.572,520 5.5,522 1.778,523 1.25,524 0.877,525 0.334,526 0.34,527 0.213,528 0.165,529 0.047,530 2269,531 4769,532 1.947,533 51.4,534 12,535 4,536 1,538 1,542 1.566,543 1.774,544 2.912,545 -0.314,550 49.163,551 1.405,552 3.204,553 3.814,554 4.042,555 4.042,556 4.042,557 2.257,558 3.572,559 4.063,560 3.054,561 415.39,562 6.848,563 3800.56,565 1,568 179.525,569 1.735,570 3.975,571 0.306,573 0.068,574 0.06,575 0.049,576 0.024,577 0.026,578 0.018,579 0.021,580 0.008,581 0.578,582 0.83,583 1,584 0.972,585 70.747,586 0.013,587 -0.046,588 0.075,589 0.044,590 -0.243,591 0.025,592 0.454,593 -0.002,594 0.23,595 0.081,596 0.471,597 0.18,598 -0.13,599 -0.416,600 -0.232,601 -0.342,602 -0.245,603 -0.397,604 -0.039,605 0.232,606 0.221,607 0.281,608 -0.02,609 0.215,610 -0.263,611 -0.164,612 -0.416,613 -0.303,614 -0.021,615 -0.157,616 -0.449,617 0.336,618 -0.077,619 0.153,620 -0.258,621 0.05,622 -0.237,623 0.157,624 -0.232,625 -0.059,626 -0.011,627 0.017,628 -0.161,629 -0.439,630 -0.376,631 -0.486,632 -0.51,633 -0.582,634 1.136,635 1.614,636 0.647,637 10.699,638 0.981,639 1.121,640 3.552,641 12.617,642 0.679,643 2.944,644 3.296,645 3.401,646 3.584,647 3.664,648 3.664,649 3.555,650 3.638,651 3.611,652 3.434,653 4.699,654 0.613,655 246.41,656 2.944,657 4.489,658 5.293,659 6.172,660 6.999,661 7.874,662 8.71,663 9.584,664 10.426,665 11.299,666 5.7,674 1,676 1,681 5,682 1,685 1,686 4,688 11,697 1,703 35,705 11,706 1,707 18,709 36,710 14,711 9,712 2,713 4,717 2,718 2,721 4,722 1,729 9,730 5,744 1,747 18,748 2,749 1,750 3,751 1,755 2,760 1,775 1,776 1,796 2,799 1,801 4,805 17,811 1,816 1,819 1,832 9.583,833 7.533,834 3.583,835 2.024,836 1.994,837 1.337,838 0.938,839 3.41,840 7.913,841 3.199,842 3.801,843 4.264,844 4.785,845 5.09,846 5.202,847 5.316,848 5.736,849 6.019,850 6.173,851 0.8,852 21,853 6.263,854 2.519,855 7.456,856 12.305,857 9.845,859 1.956,860 33.25,861 0.004,864 200.109,865 121.332,866 34.796,870 31.278,871 90.055,872 200.109,873 34.796,874 35.301,876 45.554,877 16.786,878 27.211,879 11.771,880 219.615,882 200.109,883 124.851,885 31.278,887 200.109,891 56.569,892 51.496,893 16.786,894 31.278,895 200.109,896 34.796,897 121.332,900 200.109,901 40.478,902 80.855,903 18.011,904 16.786,905 200.109,906 34.796,907 121.332,909 0.599,910 0.309,911 0.148,912 0.077,913 13,914 6,915 0.083,916 3,918 1,919 2.903,920 112.506,922 11,923 60.732,924 1,928 12.406,929 4.672,930 3.208,932 34.796,933 10.449,934 4.614,937 1.655,938 4.445,940 18.011,941 356.237,942 23.5,952 34.349,953 39.238,954 0.274,955 0.625,956 0.744,957 0.788,958 0.788,959 0.788,960 4.44,961 -0.112,962 5.352,963 1.681,964 3.97,965 4.483,966 0.278,967 6.18,968 3.87,969 5.684,970 -0.425,971 6.938,972 -0.311,973 3.892,974 4.369,976 7.424,977 3.811,978 7.011,979 -0.915,980 8.641,981 -0.985,982 5.666,983 6.645,984 0.05,985 10.347,986 5.51,987 8.371,988 -1,989 10.415,990 -2.524,991 6.33,992 7.242,994 12.377,995 6.198,996 9.757,997 -1,998 12.236,999 -3,1000 7.699,1001 9.053,1002 0.008,1003 14.955,1004 7.523,1005 11.162,1006 -1.27,1007 14.092,1008 -3,1009 8.665,1010 9.988,1012 17.264,1013 8.504,1014 12.582,1015 -1.37,1016 15.973,1017 -3.393,1018 9.904,1019 11.583,1020 0.001,1021 19.754,1022 9.718,1023 3.328,1024 -1.58,1025 17.873,1026 -3.853,1027 10.997,1028 12.698,1030 22.16,1031 10.816,1032 2.719,1033 11.699,1034 19.787,1035 -4.565,1036 12.196,1037 14.181,1039 24.627,1040 12,1041 2.397,1042 7.91,1043 21.713,1044 3.925,1045 13.345,1046 15.397,1048 27.066,1049 13.145,1050 1.903,1051 6.763,1052 23.647,1053 3.642,1054 14.536,1055 16.82,1057 29.527,1058 14.323,1059 1.349,1060 5.227,1061 25.588,1062 3.021,1063 15.71,1064 18.093,1066 31.979,1067 15.489,1068 1.165,1069 3.953,1070 27.534,1071 2.499,1072 16.901,1073 19.485,1075 34.439,1076 16.668,1077 0.687,1078 2.585,1079 29.484,1080 1.793,1081 18.087,1082 20.791,1084 36.895,1085 17.844,1086 2350,1087 3516,1088 11.326,1089 23.75,1090 27.782,1091 26.997,1092 27.33,1093 26.93,1094 27.093,1095 35.105,1096 0.8,1097 79.637,1098 25.599,1099 5.239,1100 5.55,1101 6.675,1102 5.417,1103 5.328,1104 6.925,1105 0.8,1106 18.727,1107 5.278,1108 9.633,1109 1.543,1110 1.5,1111 1.518,1112 1.496,1113 1.505,1114 1.95,1115 0.044,1116 4.424,1117 1.422,1118 3.972,1119 4.005,1120 4.228,1121 3.919,1122 4.888,1123 3.891,1124 3.85,1125 3.884,1126 3.831,1127 3.807,1128 4.702,1129 3.776,1130 3.497,1131 3.551,1132 3.5,1133 3.429,1134 4.215,1135 3.365,1136 3.178,1137 3.261,1138 3.018,1139 3.032,1140 3.928,1141 3.01,1142 2.943,1143 3.02,1144 2.817,1145 2.789,1146 3.793,1147 2.783,1148 2.874,1149 3.009,1150 2.499,1151 2.618,1152 3.467,1153 2.57,1154 2.874,1155 3.009,1156 2.499,1157 2.618,1158 3.467,1159 2.57,1160 2.531,1161 2.637,1162 2.436,1163 2.321,1164 3.332,1165 2.3,1166 0.248,1167 0.197,1168 0.395,1169 0.24,1170 0.185,1171 4.472,1172 0.218,1173 3.55,1174 0.022,1175 7.118,1176 0.65,1177 4.311,1178 0.182,1179 3.328,1180 3.925,1181 0.4,1182 11.699,1183 3.278,1184 1.914,1185 1.884,1186 2.035,1187 2.006,1188 1.208,1189 2.018,1190 1.777,1191 1.73,1192 1.987,1193 1.913,1194 1.133,1195 1.942,1196 1.323,1197 1.303,1198 1.554,1199 1.508,1200 0.627,1201 1.528,1202 1.178,1203 1.122,1204 1.417,1205 1.343,1206 0.505,1207 1.374,1208 1.102,1209 1.03,1210 1.417,1211 1.253,1212 0.469,1213 1.309,1214 0.934,1215 0.804,1216 1.294,1217 1.239,1218 0.469,1219 1.308,1220 0.934,1221 0.804,1222 1.244,1223 1.239,1224 0.308,1225 1.308,1226 0.803,1227 0.752,1228 0.985,1229 0.951,1230 0.087,1231 0.996,1232 3.611,1233 4.949,1234 2.398,1235 6.447,1236 4.595,1237 8.016,1238 6.605,1239 9.62,1241 8.628,1248 3.345,1253 0.114,1257 21.444,1258 49.163,1259 112.141,1260 133.486,1261 141.486,1262 141.486,1263 141.486,1264 21.153,1265 5.919,1266 24.92,1267 53.16,1268 11,1269 11.846,1270 3.585,1271 2.7,1272 28.564,1273 48,1274 37,1275 0.304,1276 140.359,1277 231.55,1278 334.236,1279 2245,1281 12.466,1282 0.733,1283 0.68,1284 12.82,1285 11.559,1286 7.949,1287 0.442,1288 0.368,1289 5.793,1290 7.375,1291 5.328,1292 4.583,1293 8.403,1294 6.627,1295 8.116,1296 0.312,1297 0.236,1298 8.693,1299 6.14,1300 5.478,1301 0.189,1302 0.114,1303 6.106,1304 3.3,1305 4.321,1306 0.123,1307 0.071,1308 5.151,1309 2.479,1310 3.033,1311 0.08,1312 0.039,1313 3.648,1314 1.487,1315 0.469,1316 53.049,1317 0.297,1318 17.174,1319 0.848,1320 88,1321 194.838,1322 115.558,1323 220.548,1324 306.66,1325 206,1326 99,1327 217.47,1328 121.981,1329 242.795,1330 347.06,1331 224,1332 5.699}
{0 CHEMBL439518,1 1.425,2 9.5,3 4.485,4 20.119,5 95.287,6 7.244,7 0.667,8 3.833,9 3.962,10 3.443,11 3.451,12 4.831,13 3.372,14 4.355,15 4.55,16 3.778,17 3.804,18 5.272,19 3.705,20 4.551,21 4.786,22 3.719,23 3.894,24 5.39,25 3.765,26 4.608,27 4.844,28 3.715,29 3.923,30 5.429,31 3.755,32 4.634,33 4.912,34 3.718,35 3.886,36 5.444,37 3.691,38 4.457,39 4.714,40 3.612,41 3.77,42 5.274,43 3.55,44 4.163,45 4.385,46 3.221,47 3.512,48 4.98,49 3.311,50 3.989,51 4.233,52 2.918,53 3.27,54 4.772,55 3.127,56 0.046,57 0.632,58 9.98,59 4.149,60 7.437,61 5.595,62 0.173,63 1.048,64 19.564,65 6.651,66 15.232,67 9.237,68 0.198,69 1.204,70 22.909,71 8.251,72 18.612,73 11.413,74 0.152,75 1.253,76 25.865,77 9.545,78 18.99,79 12.908,80 0.219,81 1.266,82 27.999,83 9.927,84 27.039,85 13.098,86 0.184,87 1.106,88 28.089,89 9.298,90 22.147,91 11.133,92 0.138,93 0.845,94 22.394,95 7.204,96 14.177,97 8.317,98 0.104,99 0.66,100 12.708,101 4.536,102 11.011,103 6.435,104 11,105 32,106 0.249,107 0.571,108 0.709,109 0.773,110 0.811,111 0.828,112 3.146,113 1.074,114 -4.77,115 -4.68,116 -4.4,119 41.9,120 2,125 3,138 7,139 2,140 1,142 1,147 1,155 1,163 9,166 3,169 1,171 3,172 11,175 1,181 3,183 9,187 3,192 3,194 8,198 5,201 1,203 1,205 5,209 3,217 5,221 3,226 2,227 1,231 3,242 3,249 4,252 614,253 15.326,254 15.326,255 15.326,256 15.326,257 15.326,258 13.445,259 19.714,260 9.169,261 15.819,262 11.753,263 11.753,264 11.753,265 11.753,266 11.753,267 8.977,268 32.646,269 4.211,270 12.502,271 4.001,272 2.155,273 1.364,274 1,275 0.779,276 0.686,277 3.831,282 1,283 1,284 445,285 3.082,287 58.43,288 110.532,292 94.471,295 1.545,296 8.591,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 45.5,308 209,309 4.502,310 3.127,311 6.515,312 4.033,313 3.049,314 4.433,315 0.916,316 10.243,317 3.008,318 4.123,319 2.998,320 5.725,321 3.674,322 2.764,323 3.736,324 0.4,325 8.108,326 2.517,327 3.563,328 2.643,329 5.362,330 3.303,331 2.402,332 2.915,333 0.172,334 6.931,335 2.169,336 3.393,337 2.236,338 5.116,339 3.044,340 2.081,341 2.52,343 6.075,344 1.988,345 3.118,346 1.859,347 4.687,348 2.619,349 1.696,350 2.427,352 4.954,353 1.618,354 3.004,355 1.618,356 4.133,357 2.618,358 1.618,359 2.114,361 3.755,362 1.544,363 2.766,364 1.273,365 3.592,366 2.268,367 1.269,368 1.898,370 2.826,371 1.267,372 2.35,373 0.974,374 3.347,375 1.876,376 0.907,377 1.286,379 2.12,380 0.873,381 2.202,382 0.765,383 3.269,384 1.591,385 0.727,386 1.063,388 1.732,389 0.6,390 1.618,391 0.744,392 2.899,393 1.542,394 0.618,395 0.618,397 0.791,398 0.579,399 1.352,400 0.356,401 2.663,402 1.134,403 0.189,404 0.206,406 0.341,407 0.178,408 1.214,409 0.068,410 2.618,411 0.902,412 -0.049,413 -0.062,415 -0.116,416 -0.046,417 0.882,418 -0.434,419 2.319,420 0.382,421 -0.607,422 -0.713,424 -1.367,425 -0.583,426 0.738,427 -0.618,428 2,429 0.359,430 -0.618,431 -0.927,433 -1.478,434 -0.618,435 0.446,436 -0.655,437 1.919,438 0.18,439 -0.773,440 -0.986,442 -1.907,443 -0.724,444 11.033,445 0.502,446 0.376,447 0.017,448 28.25,449 1.284,450 14.5,451 0.659,452 13.75,453 0.625,454 17.642,455 0.802,456 23.167,457 0.539,458 17.018,459 0.774,460 5.365,461 0.244,462 5.431,463 0.247,464 0.091,466 0.263,472 0.996,473 1.255,474 0.807,475 0.955,476 1.001,477 0.957,478 1.143,479 1.119,480 0.906,481 0.969,482 0.808,483 0.911,484 1.312,485 0.917,486 0.882,487 0.829,488 0.986,489 0.901,490 0.921,491 1.209,492 1.009,493 1.12,494 0.91,495 1.096,496 1.114,497 0.819,498 0.914,499 0.812,500 1.176,501 0.827,502 1.44,503 0.98,504 1.544,505 1.197,506 1.38,507 0.949,508 1.604,509 1.274,510 2.127,511 1.69,512 1.2,513 1.227,514 1.501,515 0.982,516 1.005,517 0.944,518 1.271,519 1.065,520 4,521 0.078,522 1.778,523 1.507,524 0.716,525 0.504,526 0.303,527 0.184,528 0.119,529 0.11,530 5087,531 10839,532 2.097,533 48.8,535 13,536 1,538 1,540 6,542 1.642,543 2,544 3.236,545 -0.354,547 1,550 61.277,551 1.425,552 3.271,553 4.062,554 4.426,555 4.647,556 4.74,557 2.704,558 4.005,559 4.431,560 3.398,561 785.011,562 7.599,563 8768.71,565 1,567 1,568 233.329,569 1.241,570 4.407,571 0.167,572 0.006,573 0.056,574 0.049,575 0.026,576 0.019,577 0.014,578 0.011,579 0.009,580 0.008,581 0.363,582 0.5,583 1,584 1.237,585 101.942,586 0.032,587 -0.132,588 0.081,589 0.009,590 -0.056,591 0.013,592 0.143,593 -0.021,594 0.08,596 0.15,597 0.039,598 -0.066,599 0.12,600 -0.003,601 0.066,602 0.027,603 0.037,604 0.034,605 -0.219,606 -0.029,607 -0.135,608 0.042,609 -0.118,610 0.038,611 0.17,612 0.154,613 0.194,614 0.046,615 0.143,616 -0.164,617 0.093,618 -0.048,619 0.059,620 -0.102,621 0.06,622 -0.308,623 -0.144,624 -0.473,625 -0.332,626 -0.139,627 -0.204,628 -0.298,629 0.027,630 -0.208,631 -0.098,632 -0.332,633 -0.137,634 0.71,635 1.714,636 0.682,637 17.719,638 0.985,639 1.12,640 3.54,641 12.534,642 0.686,643 3.219,644 3.497,645 3.761,646 4.007,647 4.159,648 4.174,649 4.304,650 4.382,651 4.431,652 4.382,653 5.788,654 0.628,655 311.49,656 3.219,657 4.727,658 5.565,659 6.425,660 7.279,661 8.146,662 9.006,663 9.876,664 10.74,665 11.611,666 7,669 1,674 1,676 1,680 2,681 8,682 1,685 1,686 3,688 16,697 1,703 43,705 16,706 2,707 24,709 45,710 18,711 13,712 3,713 7,717 3,718 4,721 2,729 13,730 5,744 1,747 21,748 3,749 1,750 4,751 1,755 3,760 0.667,775 1,776 2,780 1,792 1,796 2,799 1,801 2,805 22,810 3,811 1,815 1,819 1,832 11,833 8.233,834 5.056,835 2.844,836 3.205,837 1.465,838 0.996,839 4.935,840 10.101,841 3.497,842 4.09,843 4.695,844 5.302,845 5.776,846 6.036,847 6.462,848 6.858,849 7.235,850 7.255,851 1,852 31,853 8.116,854 3.299,855 7.417,856 16.049,857 12.926,859 1.917,860 42.167,861 0.001,863 1,864 235.422,865 140.388,866 37.921,870 31.278,871 109.11,872 235.422,873 37.921,874 17.65,875 6.317,876 73.983,877 16.786,878 32.295,879 11.771,880 254.929,882 235.422,883 147.031,885 31.278,887 164.795,888 70.627,891 48.36,892 81.885,893 16.786,894 31.278,895 235.422,896 37.921,897 140.388,900 235.422,901 48.755,902 94.758,903 18.011,904 16.786,905 235.422,906 37.921,907 140.388,909 0.562,910 0.338,911 0.185,912 0.093,913 15,914 6,915 0.133,916 6,917 1,918 1.133,919 3.505,920 166.855,921 0.133,922 15,923 92.107,924 1,928 15.292,929 7.1,930 3.605,931 2.47,932 37.921,933 16.873,934 4.714,937 1.667,938 3.205,940 18.011,941 413.731,942 32,952 42.334,953 48.152,954 0.263,955 0.603,956 0.749,957 0.816,958 0.856,959 0.874,960 4.691,961 0.907,962 5.517,963 2.826,964 4.174,965 4.775,966 1.038,967 6.286,968 4.064,969 5.878,970 0.727,971 7.043,972 2.12,973 3.611,974 4.477,975 0.325,976 7.096,977 3.452,978 7.168,979 0.618,980 8.667,981 1.732,982 5.72,983 7,984 0.697,985 10.178,986 5.517,987 8.498,988 0.189,989 10.351,990 0.791,991 6.019,992 7.614,993 0.393,994 11.844,995 5.773,996 9.863,997 -0.049,998 12.074,999 0.341,1000 7.537,1001 9.543,1002 0.537,1003 14.423,1004 7.268,1005 11.254,1006 -0.607,1007 13.825,1008 -0.116,1009 8.245,1010 10.604,1011 0.384,1012 16.454,1013 7.949,1014 12.664,1015 -0.618,1016 15.597,1017 -1.367,1018 9.516,1019 12.278,1020 0.438,1021 18.862,1022 9.205,1023 3.049,1024 -0.773,1025 17.384,1026 -1.478,1027 10.424,1028 13.558,1029 0.351,1030 21.054,1031 10.099,1032 2.764,1033 10.243,1034 19.185,1035 -1.907,1036 11.589,1037 15.119,1038 0.366,1039 23.404,1040 11.254,1041 2.402,1042 8.108,1043 20.997,1044 4.433,1045 12.594,1046 16.504,1047 0.312,1048 25.668,1049 12.252,1050 2.081,1051 6.931,1052 22.817,1053 3.736,1054 13.716,1055 18.018,1056 0.309,1057 27.998,1058 13.367,1059 1.696,1060 6.075,1061 24.646,1062 2.915,1063 14.769,1064 19.453,1065 0.273,1066 30.294,1067 14.415,1068 1.618,1069 4.954,1070 26.48,1071 2.52,1072 15.874,1073 20.948,1074 0.262,1075 32.618,1076 15.515,1077 1.269,1078 3.755,1079 28.321,1080 2.427,1081 16.95,1082 22.407,1083 0.236,1084 34.929,1085 16.587,1086 4990,1087 7430,1088 16.296,1089 29.517,1090 34.647,1091 34.73,1092 35.951,1093 34.597,1094 34.643,1095 46.431,1096 2.978,1097 95.748,1098 32.681,1099 5.326,1100 5.127,1101 6.204,1102 5.147,1103 5.049,1104 7.433,1105 1.605,1106 17.084,1107 5.008,1108 8.657,1109 1.444,1110 1.447,1111 1.498,1112 1.442,1113 1.443,1114 1.935,1115 0.124,1116 3.99,1117 1.362,1118 4.091,1119 4.115,1120 4.229,1121 4.048,1122 4.943,1123 4.042,1124 3.864,1125 3.906,1126 4.012,1127 3.822,1128 4.793,1129 3.76,1130 3.631,1131 3.696,1132 3.553,1133 3.467,1134 4.346,1135 3.451,1136 3.46,1137 3.505,1138 3.365,1139 3.38,1140 4.264,1141 3.366,1142 3.306,1143 3.407,1144 3.04,1145 3.123,1146 3.953,1147 3.089,1148 3.128,1149 3.197,1150 3.016,1151 2.999,1152 3.892,1153 2.996,1154 2.937,1155 3.015,1156 2.899,1157 2.817,1158 3.612,1159 2.762,1160 2.689,1161 2.781,1162 2.568,1163 2.576,1164 3.419,1165 2.561,1166 0.188,1167 0.13,1168 0.271,1169 0.168,1170 0.127,1171 4.502,1172 0.185,1173 3.127,1174 0.038,1175 6.515,1176 0.427,1177 4.033,1178 0.125,1179 3.049,1180 4.433,1181 0.916,1182 10.243,1183 3.008,1184 2.07,1185 2.05,1186 2.151,1187 2.129,1188 1.285,1189 2.138,1190 1.709,1191 1.639,1192 1.944,1193 1.93,1194 1.18,1195 1.94,1196 1.5,1197 1.46,1198 1.725,1199 1.639,1200 0.869,1201 1.649,1202 1.405,1203 1.361,1204 1.669,1205 1.584,1206 0.811,1207 1.638,1208 1.351,1209 1.256,1210 1.605,1211 1.564,1212 0.707,1213 1.589,1214 1.284,1215 1.254,1216 1.335,1217 1.406,1218 0.484,1219 1.44,1220 1.004,1221 0.971,1222 1.114,1223 1.102,1224 0.326,1225 1.157,1226 0.759,1227 0.655,1228 1.107,1229 1.044,1230 0.191,1231 1.083,1232 3.892,1233 5.176,1234 2.398,1235 6.661,1236 4.595,1237 8.237,1238 6.555,1239 9.863,1241 4.371,1247 3.029,1248 3.465,1252 2.372,1257 26.993,1258 61.277,1259 140.658,1260 174.658,1261 190.31,1262 199.82,1263 203.82,1264 24.707,1265 6.896,1266 28.16,1267 56.4,1268 17,1269 12.155,1270 4.087,1271 3.17,1272 34.586,1273 77,1274 70,1275 0.224,1276 172.274,1277 283.21,1278 412.11,1279 8728,1281 15.364,1282 0.698,1283 0.63,1284 15.717,1285 13.859,1286 10.796,1287 0.45,1288 0.358,1289 7.727,1290 10.103,1291 7.391,1292 6.201,1293 11.25,1294 8.593,1295 9.098,1296 0.284,1297 0.191,1298 9.676,1299 6.115,1300 7.83,1301 0.186,1302 0.111,1303 8.489,1304 4.67,1305 6.493,1306 0.12,1307 0.061,1308 7.189,1309 3.277,1310 4.938,1311 0.078,1312 0.033,1313 5.511,1314 2.068,1315 0.352,1316 70.748,1317 0.248,1318 21.82,1319 0.612,1320 112,1321 260.483,1322 141.64,1323 282.947,1324 399.65,1325 268,1326 130,1327 288.583,1328 155.173,1329 310.749,1330 454.02,1331 293,1332 6.097}
{0 CHEMBL43969,1 1.654,2 15.805,3 3.072,4 9.438,5 157.784,6 7.615,7 0.378,8 4.42,9 4.536,10 4.029,11 3.974,12 5.486,13 3.937,14 4.999,15 5.168,16 4.406,17 4.39,18 6.051,19 4.32,20 5.281,21 5.489,22 4.475,23 4.545,24 6.306,25 4.44,26 5.33,27 5.556,28 4.428,29 4.536,30 6.33,31 4.41,32 5.324,33 5.561,34 4.451,35 4.476,36 6.462,37 4.365,38 5.289,39 5.523,40 4.372,41 4.415,42 6.381,43 4.317,44 5.244,45 5.465,46 4.37,47 4.367,48 6.417,49 4.295,50 5.184,51 5.378,52 4.391,53 4.367,54 6.509,55 4.283,56 0.055,57 1.172,58 15.904,59 7.444,60 11.311,61 9.29,62 0.466,63 1.958,64 34.581,65 12.719,66 42.762,67 16.076,68 0.74,69 2.402,70 49.077,71 17.434,72 89.49,73 21.842,74 0.668,75 2.433,76 54.45,77 18.522,78 94.661,79 23.633,80 0.885,81 2.304,82 53.654,83 17.74,84 139.126,85 23.678,86 0.787,87 2.285,88 52.057,89 16.764,90 102.877,91 21.577,92 0.801,93 2.148,94 48.109,95 15.291,96 114.511,97 19.118,98 0.963,99 2.128,100 45.921,101 15.638,102 174.387,103 18.595,104 17,105 61,106 0.254,107 0.547,108 0.739,109 0.845,110 0.87,111 0.878,112 3.741,113 0.996,114 -3.81,115 -3.77,116 -3.59,119 40.8,121 2,125 8,127 1,128 1,138 11,139 4,140 1,151 3,163 15,165 1,166 4,169 2,171 3,172 20,175 2,176 5,179 1,181 2,183 16,187 6,190 1,192 4,194 10,197 3,198 8,201 3,203 5,205 6,208 1,209 9,214 5,217 6,220 1,221 10,224 1,226 4,227 7,230 1,231 7,234 2,235 1,236 2,238 8,241 2,242 8,249 9,252 4188,253 27.982,254 27.982,255 27.982,256 27.982,257 27.982,258 25.529,259 30.446,260 16.877,261 28.612,262 22.247,263 22.247,264 22.247,265 22.247,266 22.247,267 18.469,268 34.607,269 8.079,270 23.251,271 4.593,272 2.681,273 1.435,274 0.74,275 0.579,276 0.526,277 4.446,283 1,284 1410,285 4.359,287 129.35,288 573.885,292 223.686,295 2.776,296 53.955,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 89.5,308 648,309 4.493,310 4.786,311 6.817,312 4.163,313 3.236,314 4.43,315 3.784,316 11.255,317 3.028,318 4.365,319 3.65,320 6.506,321 4.03,322 3.031,323 3.724,324 1.963,325 10.196,326 2.995,327 3.975,328 3.615,329 5.94,330 3.613,331 2.629,332 3.358,333 1.909,334 8.243,335 2.577,336 3.705,337 3.503,338 5.387,339 3.45,340 2.525,341 2.947,342 1.859,343 6.967,344 2.403,345 3.604,346 3.18,347 5.34,348 3.416,349 2.437,350 2.835,351 0.901,352 6.882,353 2.31,354 3.517,355 3.101,356 5.215,357 3.275,358 2.286,359 2.789,360 0.86,361 6.312,362 2.248,363 3.5,364 2.885,365 5.031,366 3.128,367 2.171,368 2.675,369 0.8,370 6.032,371 2.076,372 3.439,373 2.879,374 4.981,375 3.039,376 2.038,377 2.519,378 0.561,379 5.797,380 2.004,381 3.118,382 2.29,383 4.733,384 2.618,385 1.689,386 2.427,387 0.215,388 4.88,389 1.618,390 2.781,391 2.176,392 4.306,393 2.614,394 1.618,395 1.904,397 3.794,398 1.554,399 2.766,400 2.1,401 4.16,402 2.483,403 1.564,404 1.781,406 3.619,407 1.43,408 2.612,409 1.802,410 3.715,411 2.275,412 1.277,413 1.606,415 3.308,416 1.274,417 2.577,418 1.678,419 3.599,420 2.179,421 1.26,422 1.521,424 2.847,425 1.139,426 2.5,427 1.618,428 3.477,429 2.166,430 1.256,431 1.5,433 2.705,434 1.104,435 2.402,436 1.353,437 3.414,438 2,439 1.004,440 1.358,442 2.305,443 1,444 19.552,445 0.477,446 0.87,447 0.021,448 47,449 1.146,450 20.5,451 0.5,452 26.5,453 0.646,454 42.841,455 1.045,456 45.248,457 0.595,458 40.864,459 0.997,460 9.262,461 0.226,462 10.713,463 0.261,464 0.066,466 0.297,470 1,472 0.664,473 1.22,474 0.754,475 1.05,476 0.511,477 0.981,478 0.837,479 1.062,480 1.05,481 1.057,482 0.565,483 1.009,484 1.015,485 0.956,486 1.077,487 1.007,488 0.993,489 1.015,490 0.941,491 1.005,492 1.139,493 1.128,494 1.031,495 1.068,496 0.656,497 0.925,498 0.901,499 1.028,500 0.691,501 0.952,502 1.055,503 0.942,504 0.994,505 0.996,506 1.161,507 0.946,508 1.377,509 0.887,510 1.018,511 0.873,512 1.519,513 0.867,514 1.321,515 1.097,516 1.169,517 1.077,518 1.564,519 1.034,520 7,521 0.356,522 4.222,523 2.639,524 2.104,525 1.404,526 0.93,527 0.714,528 0.451,529 0.397,530 31242,531 82485,532 2.105,533 46.1,535 28,536 1,538 2,539 2,541 2,542 1.808,543 2,544 3.895,545 0.137,550 125.737,551 1.654,552 3.567,553 4.813,554 5.508,555 5.669,556 5.722,557 3.389,558 5.114,559 5.323,560 4.141,561 3395.97,562 9.421,563 62985.6,568 474.842,569 1.282,570 5.302,571 0.156,572 0.007,573 0.069,574 0.043,575 0.037,576 0.024,577 0.017,578 0.013,579 0.008,580 0.007,581 0.38,582 0.33,583 0.63,584 0.458,585 236.287,586 -0.031,587 -0.113,588 0.06,589 -0.007,590 -0.011,591 0.015,592 -0.014,593 0.005,594 -0.045,595 -0.002,596 0.018,597 -0.033,598 -0.071,599 0.052,600 -0.051,601 0.024,602 -0.078,603 -0.029,604 -0.074,605 -0.056,606 -0.054,607 -0.07,608 -0.078,609 -0.066,610 0.189,611 -0.062,612 0.135,613 -0.026,614 0.188,615 0.042,616 -0.026,617 -0.022,618 0.039,619 -0.016,620 -0.04,621 0.027,622 -0.143,623 0.045,624 0.008,625 0.077,626 -0.107,627 0.072,628 0.021,629 -0.039,630 -0.062,631 -0.033,632 0.056,633 -0.073,634 2.044,635 6.465,636 0.659,637 61.774,638 1.006,639 1.128,640 2.584,641 6.675,642 0.666,643 3.829,644 4.127,645 4.382,646 4.635,647 4.86,648 4.875,649 4.984,650 5.069,651 5.153,652 5.136,653 9.434,654 0.631,655 578.77,656 3.829,657 5.361,658 6.201,659 7.066,660 7.925,661 8.798,662 9.667,663 10.546,664 11.422,665 12.304,666 5.3,669 1,673 3,680 2,681 11,686 3,688 17,702 1,703 76,705 20,706 3,707 45,709 80,710 31,711 16,712 5,713 11,717 5,718 6,724 1,727 3,729 19,730 12,733 3,737 3,741 3,745 1,747 35,748 9,749 2,750 10,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,803 1,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 1,825 5.3,828 3,829 1,832 20.5,833 13.21,834 9.083,835 4.608,836 2.723,837 1.328,838 0.973,839 10.285,840 11.035,841 4.052,842 4.564,843 5.055,844 5.559,845 6.081,846 6.215,847 6.518,848 6.818,849 7.106,850 6.835,851 0.909,852 62,853 15.399,854 6.711,855 7.85,856 29.312,857 24.481,859 2.35,860 96.333,864 388.446,865 198.098,866 42.27,868 86.435,869 14.96,870 32.22,871 165.879,872 474.881,873 57.23,875 66.034,876 104.239,877 100.549,878 23.762,879 26.731,880 408.895,882 388.446,883 208.149,884 101.395,885 32.22,887 379.864,888 98.977,889 11,891 69.158,892 138.991,894 32.22,895 403.406,896 128.705,897 198.098,900 388.446,901 93.86,902 110.487,903 36.022,904 101.395,905 388.446,906 143.665,907 198.098,909 0.573,910 0.33,911 0.18,912 0.103,913 27,914 12,915 0.138,916 11,917 1,918 1.074,919 5.185,920 398.604,921 0.074,922 27,923 209.66,924 1,928 29.529,929 14.281,930 7.865,931 2.165,932 143.665,933 19.872,938 1.332,940 36.022,941 730.21,942 56.5,946 39.24,950 -0.766,952 76.443,953 85.734,954 0.265,955 0.571,956 0.77,957 0.882,958 0.907,959 0.916,960 5.29,961 2.038,962 6.163,963 6.032,964 4.812,965 5.252,966 3.944,967 6.942,968 4.731,969 6.449,970 1.689,971 7.698,972 5.797,973 4.29,974 4.956,975 2.909,976 7.786,977 4.18,978 7.728,979 1.618,980 9.336,981 4.88,982 6.368,983 7.331,984 6.086,985 10.906,986 6.211,987 9.04,988 1.564,989 11.038,990 3.794,991 6.698,992 7.894,993 5.238,994 12.65,995 6.502,996 10.386,997 1.277,998 12.783,999 3.619,1000 8.216,1001 9.759,1002 8.608,1003 15.286,1004 7.98,1005 11.758,1006 1.26,1007 14.56,1008 3.308,1009 8.962,1010 10.755,1011 7.914,1012 17.408,1013 8.677,1014 13.149,1015 1.256,1016 16.361,1017 2.847,1018 10.248,1019 12.407,1020 11.213,1021 19.885,1022 9.924,1023 3.236,1024 1.004,1025 18.181,1026 2.705,1027 11.202,1028 13.635,1029 10.72,1030 22.167,1031 10.823,1032 3.031,1033 11.255,1034 20.015,1035 2.305,1036 12.394,1037 15.189,1038 13.839,1039 24.591,1040 11.974,1041 2.629,1042 10.196,1043 21.862,1044 4.43,1045 13.45,1046 16.54,1047 13.531,1048 26.941,1049 12.974,1050 2.525,1051 8.243,1052 23.719,1053 3.724,1054 14.609,1055 18.051,1056 16.47,1057 29.348,1058 14.086,1059 2.437,1060 6.967,1061 25.585,1062 3.358,1063 15.715,1064 19.466,1065 16.323,1066 31.727,1067 15.136,1068 2.286,1069 6.882,1070 27.457,1071 2.947,1072 16.865,1073 20.959,1074 19.103,1075 34.13,1076 16.235,1077 2.171,1078 6.312,1079 29.335,1080 2.835,1081 17.996,1082 22.408,1083 19.094,1084 36.524,1085 17.309,1086 29164,1087 47605,1088 30.512,1089 50.608,1090 66.86,1091 71.151,1092 67.874,1093 66.468,1094 66.38,1095 81.999,1096 25.703,1097 184.63,1098 63.613,1099 5.493,1100 6.786,1101 6.619,1102 5.302,1103 5.236,1104 7.43,1105 7.434,1106 18.607,1107 5.028,1108 17.457,1109 1.486,1110 1.581,1111 1.508,1112 1.477,1113 1.475,1114 1.822,1115 0.571,1116 4.103,1117 1.414,1118 4.097,1119 4.12,1120 4.107,1121 4.056,1122 8.201,1123 4.051,1124 3.974,1125 4.001,1126 4.033,1127 3.907,1128 7.435,1129 3.891,1130 3.83,1131 3.892,1132 3.772,1133 3.664,1134 7.427,1135 3.659,1136 3.77,1137 3.803,1138 3.708,1139 3.615,1140 7.422,1141 3.618,1142 3.643,1143 3.697,1144 3.554,1145 3.438,1146 4.898,1147 3.448,1148 3.54,1149 3.594,1150 3.486,1151 3.402,1152 4.646,1153 3.4,1154 3.443,1155 3.49,1156 3.341,1157 3.273,1158 4.621,1159 3.282,1160 3.323,1161 3.368,1162 3.241,1163 3.144,1164 4.347,1165 3.14,1166 0.1,1167 0.106,1168 0.151,1169 0.093,1170 0.072,1171 4.493,1172 0.098,1173 4.786,1174 0.084,1175 6.817,1176 0.25,1177 4.163,1178 0.067,1179 3.236,1180 4.43,1181 3.784,1182 11.255,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.9,1191 1.876,1192 1.997,1193 2.006,1194 1.299,1195 2.005,1196 1.766,1197 1.701,1198 1.984,1199 1.987,1200 1.171,1201 1.991,1202 1.659,1203 1.626,1204 1.827,1205 1.874,1206 1.106,1207 1.859,1208 1.587,1209 1.533,1210 1.795,1211 1.821,1212 1.087,1213 1.816,1214 1.506,1215 1.465,1216 1.692,1217 1.684,1218 0.867,1219 1.686,1220 1.433,1221 1.377,1222 1.636,1223 1.606,1224 0.825,1225 1.632,1226 1.272,1227 1.222,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.511,1233 5.814,1234 2.398,1235 7.306,1236 4.844,1237 8.885,1238 7.018,1239 10.513,1243 13.621,1247 5.64,1248 5.874,1249 5.367,1250 1.322,1251 -1.134,1252 3.8,1257 47.944,1258 125.737,1259 271.118,1260 365.769,1261 418.578,1262 430.842,1263 434.842,1264 107.816,1265 8.312,1266 90.98,1267 116.28,1268 29,1269 12.84,1270 4.392,1271 3.644,1272 66.255,1273 224,1274 262,1275 0.135,1276 294.456,1277 525.06,1278 710.233,1279 56404,1280 1.3,1281 28.606,1282 0.698,1283 0.578,1284 28.089,1285 23.707,1286 19.974,1287 0.444,1288 0.332,1289 13.87,1290 18.749,1291 13.555,1292 11.082,1293 19.989,1294 14.936,1295 17.65,1296 0.289,1297 0.189,1298 17.643,1299 11.559,1300 14.627,1301 0.185,1302 0.113,1303 15.091,1304 8.889,1305 11.982,1306 0.117,1307 0.065,1308 12.847,1309 6.667,1310 10.016,1311 0.078,1312 0.037,1313 10.687,1314 4.713,1315 0.217,1316 129.585,1317 0.181,1318 37.279,1319 0.357,1320 212,1321 675.87,1322 259.802,1323 636.168,1324 840.91,1325 596,1326 246,1327 566.598,1328 292.456,1329 576.547,1330 847.5,1331 544,1332 5.398}
{0 CHEMBL43988,1 1.654,2 15.78,3 3.531,4 12.469,5 162.372,6 7.832,7 0.378,8 4.418,9 4.532,10 4.053,11 3.991,12 5.459,13 3.946,14 4.996,15 5.164,16 4.439,17 4.413,18 6.014,19 4.331,20 5.277,21 5.482,22 4.508,23 4.572,24 6.26,25 4.453,26 5.327,27 5.55,28 4.477,29 4.559,30 6.305,31 4.425,32 5.328,33 5.558,34 4.561,35 4.506,36 6.476,37 4.386,38 5.286,39 5.518,40 4.406,41 4.447,42 6.342,43 4.338,44 5.246,45 5.459,46 4.441,47 4.408,48 6.433,49 4.319,50 5.176,51 5.366,52 4.453,53 4.401,54 6.431,55 4.299,56 0.038,57 1.092,58 15.55,59 7.325,60 8.927,61 9.278,62 0.44,63 1.85,64 34.58,65 12.756,66 38.48,67 16.189,68 0.674,69 2.257,70 50.93,71 17.759,72 74.388,73 22.346,74 0.585,75 2.352,76 55.735,77 18.953,78 78.831,79 24.047,80 0.916,81 2.277,82 59.719,83 18.479,84 135.698,85 23.933,86 0.628,87 2.16,88 52.591,89 17.271,90 88.501,91 22.015,92 0.849,93 2.031,94 52.778,95 15.961,96 116.414,97 19.59,98 0.844,99 1.927,100 48.873,101 16.007,102 138.415,103 19.288,104 17,105 61,106 0.254,107 0.547,108 0.742,109 0.856,110 0.886,111 0.894,112 3.741,113 1.021,114 -3.91,115 -3.86,116 -3.67,119 40.8,121 2,125 8,127 1,128 1,138 11,139 4,140 1,151 3,163 15,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 18,187 5,190 1,192 4,194 10,197 3,198 10,201 3,203 5,205 8,208 1,209 8,214 5,217 5,220 1,221 11,224 1,226 3,227 9,230 1,231 8,234 2,235 1,236 3,238 8,241 2,242 10,247 2,249 8,252 4161,253 27.982,254 27.982,255 27.982,256 27.982,257 27.982,258 25.529,259 30.42,260 16.914,261 28.686,262 22.264,263 22.264,264 22.264,265 22.264,266 22.264,267 18.475,268 35.557,269 8.099,270 23.41,271 4.593,272 2.681,273 1.415,274 0.668,275 0.474,276 0.421,277 4.446,279 1,283 1,284 1408,285 4.359,287 128.267,288 572.378,292 222.852,295 2.789,296 47.575,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 88.333,308 647,309 4.493,310 4.786,311 6.819,312 4.165,313 3.239,314 4.43,315 3.784,316 11.265,317 3.028,318 4.371,319 3.651,320 6.506,321 4.03,322 3.031,323 3.752,324 1.963,325 10.196,326 2.995,327 3.994,328 3.615,329 5.958,330 3.624,331 2.653,332 3.355,333 1.909,334 8.336,335 2.568,336 3.703,337 3.504,338 5.406,339 3.45,340 2.525,341 2.945,342 1.859,343 6.97,344 2.399,345 3.599,346 3.187,347 5.34,348 3.415,349 2.438,350 2.831,351 0.901,352 6.938,353 2.309,354 3.517,355 3.102,356 5.216,357 3.27,358 2.279,359 2.74,360 0.86,361 6.312,362 2.244,363 3.474,364 2.897,365 5.024,366 3.08,367 2.123,368 2.604,369 0.8,370 5.987,371 2.063,372 3.382,373 2.885,374 4.975,375 2.979,376 2.018,377 2.519,378 0.561,379 5.729,380 1.827,381 3.118,382 2.29,383 4.711,384 2.618,385 1.683,386 2.427,387 0.215,388 4.83,389 1.618,390 2.794,391 2.176,392 4.25,393 2.603,394 1.618,395 1.904,397 3.793,398 1.534,399 2.769,400 2.041,401 4.16,402 2.478,403 1.562,404 1.849,406 3.521,407 1.413,408 2.694,409 1.801,410 3.715,411 2.275,412 1.316,413 1.717,415 3.308,416 1.274,417 2.611,418 1.678,419 3.599,420 2.246,421 1.276,422 1.602,424 2.847,425 1.181,426 2.482,427 1.618,428 3.492,429 2.179,430 1.26,431 1.415,433 2.708,434 1.138,435 2.401,436 1.353,437 3.46,438 2.029,439 1.06,440 1.355,442 2.51,443 1.012,444 19.981,445 0.487,446 0.87,447 0.021,448 47,449 1.146,450 20.5,451 0.5,452 26.5,453 0.646,454 44.076,455 1.075,456 44.819,457 0.59,458 39.861,459 0.972,460 9.131,461 0.223,462 10.844,463 0.264,464 0.086,466 0.29,472 0.699,473 1.315,474 0.691,475 0.999,476 0.523,477 0.954,478 0.894,479 1.11,480 0.945,481 1.003,482 0.587,483 0.981,484 1.045,485 0.976,486 1.036,487 0.998,488 1.049,489 1.01,490 0.991,491 1.095,492 1.022,493 1.099,494 1.148,495 1.04,496 0.774,497 1.052,498 0.838,499 1.009,500 0.869,501 0.947,502 1.191,503 1.01,504 0.925,505 0.942,506 1.338,507 0.906,508 1.546,509 0.879,510 1.103,511 0.901,512 1.77,513 0.895,514 1.271,515 1.075,516 1.126,517 1.103,518 1.65,519 1.04,520 7,521 0.34,522 4,523 2.764,524 2.104,525 1.348,526 0.977,527 0.649,528 0.46,529 0.377,530 31090,531 81525,532 2.105,533 46.1,535 28,536 1,538 2,539 2,541 2,542 1.808,543 2,544 3.877,545 0.137,550 125.737,551 1.654,552 3.567,553 4.833,554 5.58,555 5.774,556 5.827,557 3.368,558 5.211,559 5.323,560 4.132,561 3388.48,562 9.421,563 62667.3,568 474.842,569 1.282,570 5.302,571 0.156,572 0.006,573 0.066,574 0.045,575 0.036,576 0.022,577 0.017,578 0.012,579 0.008,580 0.007,581 0.375,582 0.33,583 0.63,584 0.458,585 236.086,586 -0.032,587 -0.127,588 0.047,589 -0.007,590 -0.011,591 0.014,592 -0.011,593 0.045,594 -0.032,595 0.02,596 0.013,597 -0.023,598 -0.068,599 0.071,600 -0.055,601 0.02,602 -0.095,603 -0.032,604 -0.066,605 -0.071,606 -0.025,607 -0.056,608 -0.076,609 -0.047,610 0.241,611 -0.056,612 0.163,613 -0.008,614 0.242,615 0.035,616 -0.078,617 -0.018,618 0.035,619 0.033,620 -0.053,621 0.06,622 -0.135,623 0.119,624 -0.032,625 0.062,626 -0.079,627 0.042,628 0.063,629 -0.07,630 -0.031,631 -0.062,632 0.064,633 -0.075,634 1.93,635 6.524,636 0.659,637 60.865,638 1.003,639 1.123,640 2.677,641 7.167,642 0.678,643 3.829,644 4.127,645 4.382,646 4.644,647 4.86,648 4.875,649 4.99,650 5.069,651 5.13,652 5.147,653 9.387,654 0.637,655 595.22,656 3.829,657 5.361,658 6.201,659 7.067,660 7.926,661 8.801,662 9.67,663 10.55,664 11.427,665 12.311,666 5.3,669 1,673 3,680 2,681 11,686 3,688 17,702 1,703 76,705 20,706 3,707 45,709 80,710 31,711 16,712 5,713 11,717 5,718 6,719 1,724 1,727 3,729 19,730 12,733 3,737 3,741 3,747 35,748 8,749 2,750 10,751 2,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 1,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 1,825 5.3,828 3,829 1,832 20.5,833 13.21,834 9.083,835 4.608,836 2.73,837 1.328,838 0.972,839 10.579,840 11.042,841 4.052,842 4.564,843 5.055,844 5.567,845 6.076,846 6.212,847 6.523,848 6.812,849 7.092,850 6.855,851 0.909,852 62,853 15.356,854 6.64,855 7.755,856 29.451,857 24.589,859 2.255,860 92.444,864 388.446,865 192.478,866 42.27,867 39.149,868 86.435,870 32.22,871 160.258,872 514.03,873 42.27,875 66.034,876 104.239,877 100.549,878 18.142,879 11.771,880 408.895,881 39.149,882 388.446,883 202.529,884 86.435,885 71.368,887 364.904,888 98.977,889 11,891 69.158,892 133.37,893 39.149,894 32.22,895 388.446,896 128.705,897 231.627,900 388.446,901 88.239,902 110.487,903 36.022,904 125.583,905 388.446,906 128.705,907 231.627,909 0.572,910 0.329,911 0.182,912 0.103,913 27,914 12,915 0.138,916 11,917 1,918 1.074,919 5.172,920 399.626,921 0.074,922 27,923 213.66,924 1,928 29.867,929 14.522,930 8.025,931 2.199,932 128.705,933 21.361,938 2.402,940 36.022,941 748.778,942 56.5,946 39.384,950 -0.638,952 76.254,953 85.338,954 0.265,955 0.571,956 0.773,957 0.893,958 0.924,959 0.933,960 5.29,961 2.018,962 6.163,963 5.987,964 4.812,965 5.252,966 3.944,967 6.944,968 4.72,969 6.449,970 1.683,971 7.698,972 5.729,973 4.29,974 4.956,975 2.909,976 7.786,977 4.152,978 7.728,979 1.618,980 9.337,981 4.83,982 6.368,983 7.331,984 6.086,985 10.913,986 6.196,987 9.04,988 1.562,989 11.039,990 3.793,991 6.698,992 7.894,993 5.238,994 12.655,995 6.479,996 10.387,997 1.316,998 12.785,999 3.521,1000 8.217,1001 9.761,1002 8.608,1003 15.295,1004 7.965,1005 11.758,1006 1.276,1007 14.563,1008 3.308,1009 8.965,1010 10.76,1011 7.914,1012 17.416,1013 8.66,1014 13.151,1015 1.26,1016 16.364,1017 2.847,1018 10.252,1019 12.412,1020 11.213,1021 19.895,1022 9.912,1023 3.239,1024 1.06,1025 18.185,1026 2.708,1027 11.208,1028 13.642,1029 10.72,1030 22.177,1031 10.812,1032 3.031,1033 11.265,1034 20.02,1035 2.51,1036 12.401,1037 15.197,1038 13.839,1039 24.602,1040 11.965,1041 2.653,1042 10.196,1043 21.867,1044 4.43,1045 13.459,1046 16.549,1047 13.531,1048 26.951,1049 12.966,1050 2.525,1051 8.336,1052 23.725,1053 3.752,1054 14.619,1055 18.06,1056 16.47,1057 29.359,1058 14.08,1059 2.438,1060 6.97,1061 25.59,1062 3.355,1063 15.726,1064 19.475,1065 16.323,1066 31.738,1067 15.13,1068 2.279,1069 6.938,1070 27.463,1071 2.945,1072 16.876,1073 20.967,1074 19.103,1075 34.142,1076 16.231,1077 2.123,1078 6.312,1079 29.341,1080 2.831,1081 18.008,1082 22.415,1083 19.094,1084 36.536,1085 17.306,1086 29020,1087 47213,1088 30.512,1089 51.529,1090 66.88,1091 71.399,1092 67.874,1093 66.64,1094 66.441,1095 82.059,1096 25.703,1097 184.765,1098 63.206,1099 5.493,1100 6.786,1101 6.621,1102 5.304,1103 5.239,1104 7.43,1105 7.434,1106 18.635,1107 5.028,1108 17.345,1109 1.486,1110 1.587,1111 1.508,1112 1.481,1113 1.476,1114 1.824,1115 0.571,1116 4.106,1117 1.405,1118 4.097,1119 4.12,1120 4.126,1121 4.056,1122 7.435,1123 4.051,1124 3.972,1125 3.997,1126 4.036,1127 3.917,1128 7.427,1129 3.896,1130 3.829,1131 3.891,1132 3.91,1133 3.672,1134 7.422,1135 3.662,1136 3.767,1137 3.798,1138 3.708,1139 3.616,1140 4.941,1141 3.618,1142 3.643,1143 3.697,1144 3.555,1145 3.439,1146 4.894,1147 3.448,1148 3.54,1149 3.593,1150 3.495,1151 3.402,1152 4.628,1153 3.4,1154 3.442,1155 3.49,1156 3.353,1157 3.275,1158 4.357,1159 3.282,1160 3.322,1161 3.368,1162 3.277,1163 3.145,1164 4.346,1165 3.141,1166 0.1,1167 0.106,1168 0.152,1169 0.093,1170 0.072,1171 4.493,1172 0.098,1173 4.786,1174 0.084,1175 6.819,1176 0.25,1177 4.165,1178 0.067,1179 3.239,1180 4.43,1181 3.784,1182 11.265,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.902,1191 1.881,1192 1.99,1193 2.004,1194 1.299,1195 2.003,1196 1.766,1197 1.701,1198 1.981,1199 1.974,1200 1.176,1201 1.985,1202 1.659,1203 1.626,1204 1.827,1205 1.871,1206 1.107,1207 1.859,1208 1.588,1209 1.533,1210 1.795,1211 1.82,1212 1.088,1213 1.816,1214 1.506,1215 1.465,1216 1.693,1217 1.682,1218 0.872,1219 1.686,1220 1.434,1221 1.379,1222 1.637,1223 1.606,1224 0.825,1225 1.632,1226 1.273,1227 1.223,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.511,1233 5.814,1234 2.398,1235 7.306,1236 4.844,1237 8.886,1238 7.018,1239 10.516,1242 6.255,1247 5.889,1248 5.94,1249 5.38,1250 1.389,1251 -1.003,1252 3.887,1257 48.388,1258 125.737,1259 271.118,1260 367.279,1261 424.088,1262 438.842,1263 442.842,1264 100.608,1265 8.312,1266 90.98,1267 116.28,1268 29,1269 12.846,1270 4.392,1271 3.644,1272 66.255,1273 223,1274 262,1275 0.135,1276 301.591,1277 534.2,1278 727.641,1279 56404,1280 1.3,1281 28.606,1282 0.698,1283 0.597,1284 29.459,1285 24.463,1286 19.974,1287 0.444,1288 0.34,1289 13.926,1290 18.558,1291 13.554,1292 11.084,1293 20.671,1294 15.314,1295 17.661,1296 0.29,1297 0.197,1298 18.685,1299 11.999,1300 14.543,1301 0.184,1302 0.115,1303 15.68,1304 9.103,1305 12.138,1306 0.118,1307 0.067,1308 13.398,1309 6.888,1310 9.991,1311 0.078,1312 0.038,1313 11.155,1314 4.904,1315 0.218,1316 131.894,1317 0.181,1318 37.246,1319 0.359,1320 212,1321 615.962,1322 271.491,1323 636.233,1324 840.93,1325 596,1326 246,1327 550.127,1328 299.304,1329 576.683,1330 847.78,1331 544,1332 5.155}
{0 CHEMBL44134,1 1.7,2 14.486,3 3.49,4 12.182,5 149.011,6 7.649,7 0.154,8 4.382,9 4.507,10 3.985,11 3.901,12 5.374,13 3.841,14 4.994,15 5.188,16 4.4,17 4.334,18 5.956,19 4.236,20 5.285,21 5.497,22 4.474,23 4.524,24 6.25,25 4.377,26 5.415,27 5.685,28 4.581,29 4.519,30 6.335,31 4.344,32 5.282,33 5.533,34 4.459,35 4.398,36 6.404,37 4.279,38 5.226,39 5.449,40 4.488,41 4.396,42 6.339,43 4.28,44 5.23,45 5.436,46 4.423,47 4.361,48 6.421,49 4.261,50 5.184,51 5.396,52 4.464,53 4.362,54 6.406,55 4.238,56 0.048,57 1.062,58 16.793,59 7.373,60 8.819,61 9.784,62 0.493,63 1.731,64 38.377,65 12.77,66 43.441,67 17.129,68 0.727,69 2.093,70 55.494,71 17.783,72 77.936,73 23.209,74 0.891,75 2.171,76 76.698,77 20.211,78 100.468,79 26.711,80 1.011,81 1.966,82 57.111,83 16.238,84 141.1,85 22.009,86 0.76,87 1.841,88 58.943,89 16.302,90 95.233,91 21.062,92 1.003,93 1.808,94 55.257,95 15.13,96 130.016,97 19.276,98 0.991,99 1.755,100 54.81,101 15.779,102 148.895,103 20.164,104 71,105 54,106 0.267,107 0.53,108 0.751,109 0.824,110 0.836,111 0.836,112 3.642,113 1.114,114 -3.79,115 -3.75,116 -3.56,119 34.7,120 3,121 3,123 1,125 8,127 1,128 1,138 3,139 1,140 2,151 3,163 6,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 1,183 4,187 7,190 1,192 4,194 8,197 3,198 6,201 3,203 2,205 2,208 1,209 10,214 3,217 8,220 1,221 7,224 1,226 4,227 3,230 1,231 6,234 2,235 1,236 3,238 7,241 2,242 9,247 1,249 5,252 3361,253 23.999,254 23.999,255 23.999,256 23.999,257 23.999,258 22.78,259 28.869,260 14.288,261 24.822,262 19.26,263 19.26,264 19.26,265 19.26,266 19.26,267 17.272,268 30.809,269 6.853,270 20.642,271 4.528,272 2.851,273 1.44,274 0.977,275 0.897,276 0.897,277 4.318,279 2,283 1,284 1107,285 5,287 123.713,288 288.936,295 2.31,296 50.875,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 80.667,308 536,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.097,318 4.111,319 3.667,320 6.394,321 4.098,322 3.099,323 3.387,324 1.963,325 9.951,326 3.008,327 4.097,328 3.615,329 6.204,330 3.74,331 2.796,332 3.101,333 1.907,334 9.037,335 2.621,336 3.696,337 3.51,338 5.509,339 3.452,340 2.525,341 2.87,342 1.859,343 7.115,344 2.402,345 3.591,346 3.259,347 5.34,348 3.42,349 2.445,350 2.812,351 0.901,352 6.965,353 2.308,354 3.516,355 3.098,356 5.135,357 3.262,358 2.278,359 2.712,360 0.86,361 6.215,362 2.232,363 3.485,364 3.001,365 5.001,366 3.065,367 2.147,368 2.519,369 0.8,370 5.902,371 1.883,372 2.98,373 2.885,374 4.811,375 2.662,376 1.765,377 2.088,378 0.215,379 5.076,380 1.558,381 2.745,382 2.649,383 4.592,384 2.519,385 1.614,386 1.759,387 0.149,388 4.41,389 1.443,390 2.612,391 2.176,392 4,393 2.419,394 1.536,395 1.605,397 3.309,398 1.278,399 2.563,400 1.819,401 3.715,402 2.186,403 1.267,404 1.519,406 3.125,407 1.147,408 2.312,409 1.681,410 3.522,411 2.125,412 1.175,413 1.297,415 2.711,416 1.094,417 2.191,418 1.678,419 3.446,420 2.059,421 1.098,422 1.15,424 2.422,425 1.024,426 2,427 1.542,428 3.247,429 1.952,430 1,431 1,433 2.136,434 0.946,435 1.702,436 1.256,437 3.173,438 1.435,439 0.48,440 0.517,442 1.157,443 0.449,444 18.195,445 0.492,446 1.141,447 0.031,448 34.25,449 0.926,450 10.5,451 0.284,452 23.75,453 0.642,454 48.91,455 1.322,456 43.605,457 0.581,458 27.746,459 0.75,460 6.039,461 0.163,462 11.492,463 0.311,464 0.216,465 0.027,466 0.264,472 0.693,473 1.538,474 0.679,475 1.097,476 0.54,477 1.074,478 0.836,479 1.153,480 0.813,481 0.954,482 0.54,483 0.936,484 1.024,485 1.129,486 1.02,487 1.094,488 1.034,489 1.137,490 0.821,491 0.975,492 0.774,493 0.915,494 0.984,495 0.859,496 0.858,497 0.916,498 0.741,499 0.836,500 0.946,501 0.786,502 1.098,503 1.087,504 0.922,505 1.018,506 1.259,507 0.95,508 1.595,509 0.989,510 1.068,511 0.966,512 2.01,513 0.972,514 1.085,515 1.036,516 1.012,517 1.031,518 1.363,519 0.989,520 9,521 0.3,522 3.778,523 2.889,524 1.979,525 1.692,526 0.909,527 0.827,528 0.498,529 0.442,530 20842,531 57122,532 1.957,533 50.7,534 9,535 20,536 1,538 2,539 2,540 2,541 2,542 1.785,543 1.798,544 3.754,545 0.216,550 127.529,551 1.7,552 3.377,553 4.789,554 5.252,555 5.332,556 5.332,557 3.26,558 4.919,559 5.17,560 4.008,561 2669.52,562 9.129,563 45570.9,568 467.161,569 1.634,570 5.112,571 0.231,572 0.007,573 0.07,574 0.056,575 0.039,576 0.031,577 0.017,578 0.017,579 0.01,580 0.01,581 0.487,582 0.33,583 0.75,584 1.463,585 206.107,586 -0.032,587 -0.202,588 0.035,589 -0.038,590 -0.018,591 -0.014,592 0.012,593 0.051,594 0.05,595 0.089,596 0.059,597 0.066,598 -0.082,599 -0.031,600 -0.085,601 -0.064,602 -0.105,603 -0.139,604 0.057,605 -0.013,606 0.211,607 0.099,608 0.004,609 0.13,610 0.159,611 0.101,612 0.146,613 0.129,614 0.198,615 0.168,616 0.001,617 -0.063,618 0.072,619 -0.009,620 0.021,621 0.032,622 -0.177,623 0.045,624 -0.08,625 0.012,626 -0.175,627 -0.035,628 0.115,629 -0.018,630 0.04,631 -0.002,632 0.131,633 -0.005,634 1.93,635 6.365,636 0.459,637 53.915,638 1.005,639 1.135,640 2.558,641 6.545,642 0.652,643 3.689,644 4.007,645 4.159,646 4.394,647 4.585,648 4.673,649 4.745,650 4.828,651 4.89,652 4.875,653 8.641,654 0.604,655 573.65,656 3.689,657 5.231,658 6.043,659 6.915,660 7.752,661 8.633,662 9.487,663 10.374,664 11.241,665 12.134,666 5.3,669 1,673 3,681 3,686 3,688 6,702 2,703 75,705 9,706 1,707 39,709 77,710 26,711 6,712 3,713 3,717 3,718 3,719 2,721 3,722 1,724 1,727 4,729 9,730 17,733 3,737 3,741 3,747 38,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 2,783 2,784 1,792 1,795 1,796 3,797 1,799 1,801 3,802 2,805 37,810 11,811 2,812 1,813 1,814 2,815 2,816 1,824 2,825 5.3,828 3,829 1,832 20.583,833 13.936,834 8.097,835 4.581,836 1.011,837 1.133,838 0.911,839 11.864,840 8.596,841 3.829,842 4.27,843 4.567,844 4.948,845 5.353,846 5.479,847 5.61,848 5.871,849 6.069,850 6.089,851 0.9,852 52,853 13.895,854 5.904,855 7.824,856 26.571,857 21.842,859 2.324,860 85.972,864 423.76,865 140.847,866 42.27,867 78.297,868 86.435,870 32.22,871 108.628,872 588.492,873 42.27,874 26.476,875 68.568,876 28.429,877 100.549,878 13.311,879 11.771,880 444.208,881 78.297,882 423.76,883 150.898,884 86.435,885 110.517,887 376.675,888 122.519,889 11,891 98.168,892 52.729,893 78.297,894 32.22,895 423.76,896 128.705,897 219.145,900 423.76,901 85.943,902 61.153,903 36.022,904 164.732,905 423.76,906 128.705,907 219.145,909 0.582,910 0.306,911 0.159,912 0.089,913 22,914 12,915 0.156,916 12,918 1,919 4.67,920 333.452,922 17,923 183.995,924 1,928 30.515,929 14.385,930 9.901,932 128.705,933 5.11,938 1.603,940 36.022,941 771.609,942 45,946 38.749,950 -0.651,952 75.345,953 85.112,954 0.273,955 0.542,956 0.769,957 0.843,958 0.856,959 0.856,960 5.103,961 1.765,962 6.057,963 5.902,964 4.691,965 4.956,966 3.934,967 6.855,968 4.562,969 6.27,970 1.614,971 7.615,972 5.076,973 4.443,974 4.832,975 2.909,976 7.906,977 4.276,978 7.561,979 1.536,980 9.279,981 4.41,982 6.315,983 6.892,984 6.085,985 10.898,986 6.092,987 8.877,988 1.267,989 11.006,990 3.309,991 6.836,992 7.513,993 5.238,994 12.749,995 6.587,996 10.226,997 1.175,998 12.772,999 3.125,1000 8.244,1001 9.148,1002 8.608,1003 15.338,1004 7.942,1005 11.594,1006 1.098,1007 14.567,1008 2.711,1009 9.107,1010 10.101,1011 7.914,1012 17.509,1013 8.773,1014 12.977,1015 1,1016 16.383,1017 2.422,1018 10.344,1019 11.585,1020 11.213,1021 19.975,1022 9.962,1023 3.266,1024 0.48,1025 18.215,1026 2.136,1027 11.364,1028 12.708,1029 10.72,1030 22.281,1031 10.943,1032 3.099,1033 11.459,1034 20.059,1035 1.157,1036 12.54,1037 14.131,1038 13.839,1039 24.709,1040 12.074,1041 2.796,1042 9.951,1043 21.915,1044 3.947,1045 13.633,1046 15.35,1047 13.531,1048 27.076,1049 13.124,1050 2.525,1051 9.037,1052 23.779,1053 3.387,1054 14.79,1055 16.746,1056 16.47,1057 29.494,1058 14.236,1059 2.445,1060 7.115,1061 25.651,1062 3.101,1063 15.917,1064 18.022,1065 16.323,1066 31.89,1067 15.318,1068 2.278,1069 6.965,1070 27.529,1071 2.87,1072 17.072,1073 19.406,1074 19.103,1075 34.309,1076 16.427,1077 2.147,1078 6.215,1079 29.412,1080 2.812,1081 18.217,1082 20.718,1083 19.094,1084 36.72,1085 17.526,1086 20636,1087 34508,1088 24.849,1089 48.909,1090 58.106,1091 63.251,1092 59.082,1093 57.748,1094 57.46,1095 65.124,1096 24.875,1097 163.097,1098 53.436,1099 5.432,1100 6.788,1101 6.677,1102 5.33,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.097,1108 23.711,1109 1.49,1110 1.622,1111 1.515,1112 1.481,1113 1.473,1114 1.67,1115 0.638,1116 4.182,1117 1.37,1118 3.989,1119 4.014,1120 4.166,1121 3.934,1122 7.435,1123 3.913,1124 3.842,1125 3.896,1126 3.96,1127 3.714,1128 7.427,1129 3.703,1130 3.81,1131 3.871,1132 3.713,1133 3.655,1134 7.422,1135 3.639,1136 3.755,1137 3.787,1138 3.673,1139 3.616,1140 5.014,1141 3.617,1142 3.63,1143 3.684,1144 3.58,1145 3.413,1146 4.63,1147 3.429,1148 3.497,1149 3.556,1150 3.545,1151 3.286,1152 4.627,1153 3.295,1154 3.334,1155 3.388,1156 3.424,1157 3.139,1158 4.368,1159 3.135,1160 3.147,1161 3.216,1162 3.242,1163 2.986,1164 4.23,1165 2.965,1166 0.114,1167 0.123,1168 0.176,1169 0.107,1170 0.084,1171 4.432,1172 0.101,1173 4.788,1174 0.097,1175 6.875,1176 0.294,1177 4.19,1178 0.079,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.097,1184 1.896,1185 1.882,1186 2.047,1187 2.004,1188 1.334,1189 2.003,1190 1.817,1191 1.761,1192 1.987,1193 1.978,1194 1.299,1195 2.001,1196 1.765,1197 1.701,1198 1.944,1199 1.96,1200 1.176,1201 1.97,1202 1.647,1203 1.613,1204 1.826,1205 1.861,1206 1.106,1207 1.853,1208 1.581,1209 1.528,1210 1.789,1211 1.804,1212 1.087,1213 1.806,1214 1.439,1215 1.381,1216 1.655,1217 1.671,1218 0.87,1219 1.673,1220 1.304,1221 1.236,1222 1.583,1223 1.526,1224 0.828,1225 1.556,1226 1.153,1227 1.09,1228 1.513,1229 1.376,1230 0.825,1231 1.429,1232 4.369,1233 5.687,1234 2.398,1235 7.168,1236 4.844,1237 8.727,1238 7.018,1239 10.333,1241 6.338,1242 12.55,1247 6.86,1248 5.849,1249 5.363,1250 1.346,1251 -1.079,1252 3.83,1253 0.105,1257 45.269,1258 127.529,1259 253.312,1260 359.148,1261 393.877,1262 399.877,1263 399.877,1264 130.928,1265 7.584,1266 90.98,1267 116.28,1268 17,1269 12.667,1270 3.322,1271 2.807,1272 76.792,1273 179,1274 222,1275 0.194,1276 291.386,1277 522.63,1278 702.741,1279 20753,1280 2.7,1281 27.001,1282 0.73,1283 0.654,1284 28.355,1285 24.185,1286 17.531,1287 0.45,1288 0.371,1289 12.74,1290 15.818,1291 12.184,1292 10.052,1293 18.516,1294 14.476,1295 16.665,1296 0.309,1297 0.236,1298 18.06,1299 12.763,1300 11.879,1301 0.189,1302 0.133,1303 13.333,1304 8.348,1305 9.596,1306 0.12,1307 0.078,1308 11.431,1309 6.275,1310 7.387,1311 0.076,1312 0.043,1313 8.708,1314 4.208,1315 0.309,1316 120.408,1317 0.201,1318 34.208,1319 0.522,1320 186,1321 562.165,1322 261.01,1323 607.615,1324 776.03,1325 564,1326 210,1327 468.99,1328 274.848,1329 503.399,1330 736.5,1331 470,1332 4.678}
{0 CHEMBL44143,1 1.844,2 15.077,3 3.493,4 12.198,5 150.943,6 8.537,7 0.286,8 4.342,9 4.452,10 4.039,11 3.894,12 5.431,13 3.859,14 4.926,15 5.091,16 4.444,17 4.312,18 6.02,19 4.24,20 5.207,21 5.406,22 4.525,23 4.466,24 6.279,25 4.356,26 5.247,27 5.465,28 4.616,29 4.454,30 6.325,31 4.324,32 5.216,33 5.442,34 4.503,35 4.377,36 6.446,37 4.281,38 5.185,39 5.392,40 4.502,41 4.374,42 6.357,43 4.275,44 5.174,45 5.38,46 4.5,47 4.34,48 6.459,49 4.261,50 5.11,51 5.29,52 4.489,53 4.326,54 6.442,55 4.235,56 0.135,57 1.071,58 12.564,59 6.7,60 15.628,61 8.045,62 0.594,63 1.758,64 30.989,65 11.745,66 46.49,67 14.146,68 0.979,69 2.101,70 49.289,71 16.479,72 106.268,73 19.474,74 1.017,75 2.097,76 62.982,77 17.697,78 119.72,79 21.07,80 1.194,81 2.034,82 51.974,83 16.312,84 162.027,85 20.297,86 1.031,87 1.881,88 55.083,89 15.967,90 123.37,91 18.928,92 1.212,93 1.842,94 49.291,95 14.816,96 161.555,97 17.619,98 1.146,99 1.781,100 49.366,101 15.153,102 166.468,103 17.317,104 37,105 57,106 0.29,107 0.585,108 0.788,109 0.888,110 0.892,111 0.892,112 3.693,113 1.035,114 -4.12,115 -4.06,116 -3.84,119 38.6,121 2,125 8,127 1,128 1,138 7,139 2,140 3,151 3,163 6,165 1,166 4,169 2,171 3,172 13,175 2,176 4,179 1,181 2,183 6,187 7,190 1,192 2,194 8,197 3,198 7,201 3,203 3,205 3,208 1,209 8,214 3,217 6,220 1,221 8,224 1,226 4,227 5,230 1,231 8,234 2,235 1,236 3,238 5,241 2,242 5,247 1,249 7,252 3822,253 26.068,254 26.068,255 26.068,256 26.068,257 26.068,258 24.073,259 32.303,260 15.666,261 26.944,262 20.749,263 20.749,264 20.749,265 20.749,266 20.749,267 17.644,268 36.453,269 7.529,270 22.245,271 4.285,272 2.413,273 1.12,274 0.486,275 0.457,276 0.457,277 4.384,279 2,283 1,284 1249,285 4.359,287 127.392,288 462.55,295 2.501,296 60.83,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 86.167,308 588,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.11,319 3.669,320 6.204,321 3.742,322 2.797,323 3.649,324 1.963,325 9.037,326 2.634,327 4.044,328 3.615,329 5.532,330 3.639,331 2.664,332 3.387,333 1.909,334 7.471,335 2.586,336 3.695,337 3.513,338 5.487,339 3.449,340 2.525,341 2.877,342 1.859,343 7.096,344 2.393,345 3.593,346 3.259,347 5.34,348 3.412,349 2.435,350 2.812,351 0.901,352 6.965,353 2.306,354 3.516,355 3.005,356 5.134,357 3.258,358 2.276,359 2.725,360 0.86,361 6.215,362 2.225,363 3.487,364 2.985,365 5.001,366 3.069,367 2.153,368 2.521,369 0.8,370 5.911,371 1.891,372 3.28,373 2.885,374 4.825,375 2.9,376 1.95,377 2.517,378 0.561,379 5.319,380 1.826,381 2.979,382 2.649,383 4.719,384 2.644,385 1.739,386 2.088,387 0.215,388 4.985,389 1.548,390 2.741,391 2.491,392 4.579,393 2.518,394 1.614,395 1.767,397 4.397,398 1.433,399 2.67,400 2.176,401 3.999,402 2.408,403 1.525,404 1.734,406 3.308,407 1.272,408 2.611,409 1.819,410 3.715,411 2.196,412 1.262,413 1.604,415 3.125,416 1.186,417 2.561,418 1.68,419 3.492,420 2.175,421 1.203,422 1.514,424 2.705,425 1.136,426 2.311,427 1.678,428 3.469,429 2.112,430 1.174,431 1.295,433 2.619,434 1.059,435 2,436 1.373,437 3.259,438 1.952,439 1,440 1,442 2.136,443 0.946,444 18.981,445 0.487,446 0.962,447 0.025,448 42,449 1.077,450 16.5,451 0.423,452 25.5,453 0.654,454 44.067,455 1.13,456 44.019,457 0.629,458 36.089,459 0.925,460 8.2,461 0.21,462 10.595,463 0.272,464 0.143,466 0.306,470 1,472 0.656,473 1.282,474 0.617,475 0.987,476 0.512,477 0.949,478 0.815,479 1.097,480 0.838,481 0.98,482 0.555,483 0.962,484 1.037,485 0.984,486 1.006,487 0.988,488 1.017,489 1.016,490 0.918,491 1.007,492 0.92,493 1.046,494 1.024,495 1.002,496 0.788,497 0.897,498 0.761,499 0.905,500 0.872,501 0.85,502 1.044,503 0.943,504 0.97,505 1.005,506 1.148,507 0.977,508 1.115,509 0.82,510 0.914,511 0.855,512 1.236,513 0.868,514 1.071,515 1.025,516 1.137,517 1.146,518 1.26,519 1.063,520 8,521 0.344,522 3.778,523 2.889,524 2.242,525 1.504,526 0.992,527 0.773,528 0.472,529 0.388,530 25661,531 82366,532 2.037,533 44.3,535 24,536 1,538 2,539 2,541 2,542 1.797,543 1.902,544 3.829,545 0.213,550 129.088,551 1.844,552 3.716,553 5.009,554 5.644,555 5.672,556 5.672,557 3.36,558 5.132,559 5.247,560 4.069,561 3014.95,562 9.28,563 53566.1,568 429.05,569 1.42,570 5.213,571 0.19,572 0.007,573 0.066,574 0.051,575 0.042,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.432,582 0.33,583 0.75,584 0.551,585 220.892,586 -0.046,587 -0.145,588 0.028,589 -0.02,590 -0.009,591 0.001,592 -0.035,593 -0.019,594 -0.013,595 0.024,596 0.031,597 -0.014,598 -0.108,599 0.024,600 -0.06,601 0.022,602 -0.102,603 -0.042,604 -0.034,605 -0.069,606 0.107,607 0.001,608 -0.056,609 -0.001,610 0.149,611 0.061,612 0.134,613 0.082,614 0.159,615 0.133,616 -0.066,617 -0.045,618 0.015,619 -0.014,620 -0.061,621 -0.002,622 -0.033,623 0.079,624 0.035,625 0.093,626 0.009,627 0.077,628 0.029,629 -0.07,630 -0.064,631 -0.098,632 0.04,633 -0.089,634 2.055,635 6.402,636 0.59,637 58.513,638 1.017,639 1.132,640 2.886,641 8.326,642 0.679,643 3.761,644 4.06,645 4.277,646 4.522,647 4.718,648 4.754,649 4.844,650 4.913,651 4.997,652 5.011,653 8.988,654 0.644,655 597.59,656 3.761,657 5.293,658 6.12,659 6.984,660 7.832,661 8.705,662 9.567,663 10.446,664 11.318,665 12.203,666 5.7,669 1,673 3,681 7,686 5,688 12,702 3,703 70,705 15,706 2,707 42,709 73,710 27,711 12,712 5,713 7,717 4,718 4,719 2,724 1,727 3,729 15,730 12,733 3,737 3,741 3,745 1,747 31,748 9,749 2,750 12,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,803 1,805 39,810 10,811 2,812 1,813 1,814 2,815 2,824 3,825 5.7,828 3,829 1,832 20.5,833 12.162,834 8.639,835 4.172,836 1.576,837 1.2,838 0.951,839 11.321,840 9.46,841 3.951,842 4.431,843 4.824,844 5.25,845 5.682,846 5.706,847 5.817,848 6.053,849 6.283,850 6.291,851 1,852 57,853 14.641,854 6.369,855 7.976,856 27.47,857 22.645,859 2.476,860 96.556,864 341.362,865 162.049,866 42.27,867 78.297,868 86.435,869 14.96,870 32.22,871 129.829,872 506.094,873 57.23,875 66.034,876 66.334,877 100.549,878 25.618,879 26.731,880 361.81,881 78.297,882 341.362,883 172.099,884 101.395,885 110.517,887 332.78,888 98.977,889 11,891 69.158,892 102.941,893 78.297,894 32.22,895 356.322,896 128.705,897 240.346,900 341.362,901 95.715,902 72.582,903 36.022,904 179.692,905 341.362,906 143.665,907 240.346,909 0.576,910 0.323,911 0.173,912 0.097,913 24,914 12,915 0.151,916 11,918 1,919 4.939,920 365.525,922 23,923 202.131,924 1,928 30.097,929 14.671,930 8.807,932 143.665,933 10.946,938 1.7,940 36.022,941 725.373,942 51,946 38.885,950 -0.946,952 71.207,953 79.207,954 0.301,955 0.606,956 0.817,957 0.921,958 0.925,959 0.925,960 5.198,961 1.95,962 6.094,963 5.911,964 4.745,965 5.118,966 3.944,967 6.864,968 4.611,969 6.355,970 1.739,971 7.627,972 5.319,973 4.29,974 4.856,975 2.909,976 7.684,977 4.063,978 7.631,979 1.614,980 9.26,981 4.985,982 6.297,983 7.107,984 6.086,985 10.795,986 6.048,987 8.933,988 1.525,989 10.953,990 4.397,991 6.648,992 7.612,993 5.238,994 12.505,995 6.301,996 10.267,997 1.262,998 12.687,999 3.308,1000 8.131,1001 9.392,1002 8.608,1003 15.157,1004 7.756,1005 11.622,1006 1.203,1007 14.453,1008 3.125,1009 8.879,1010 10.26,1011 7.914,1012 17.275,1013 8.4,1014 12.995,1015 1.174,1016 16.244,1017 2.705,1018 10.149,1019 11.844,1020 11.213,1021 19.776,1022 9.627,1023 3.266,1024 1,1025 18.055,1026 2.619,1027 11.103,1028 12.905,1029 10.72,1030 22.075,1031 10.474,1032 2.797,1033 11.459,1034 19.884,1035 2.136,1036 12.29,1037 14.393,1038 13.839,1039 24.527,1040 11.602,1041 2.664,1042 9.037,1043 21.728,1044 3.947,1045 13.349,1046 15.566,1047 13.531,1048 26.903,1049 12.557,1050 2.525,1051 7.471,1052 23.585,1053 3.649,1054 14.509,1055 16.999,1056 16.47,1057 29.342,1058 13.645,1059 2.435,1060 7.096,1061 25.452,1062 3.387,1063 15.622,1064 18.242,1065 16.323,1066 31.751,1067 14.658,1068 2.276,1069 6.965,1070 27.328,1071 2.877,1072 16.779,1073 19.643,1074 19.103,1075 34.186,1076 15.734,1077 2.153,1078 6.215,1079 29.212,1080 2.812,1081 17.92,1082 20.929,1083 19.094,1084 36.61,1085 16.779,1086 24580,1087 44300,1088 27.739,1089 47.563,1090 62.211,1091 66.92,1092 63.667,1093 62.175,1094 61.741,1095 73.751,1096 25.703,1097 171.619,1098 57.318,1099 5.432,1100 6.788,1101 6.677,1102 5.33,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 20.93,1109 1.481,1110 1.593,1111 1.516,1112 1.48,1113 1.47,1114 1.756,1115 0.612,1116 4.086,1117 1.365,1118 3.995,1119 4.021,1120 4.167,1121 3.937,1122 8.201,1123 3.918,1124 3.917,1125 3.945,1126 3.961,1127 3.847,1128 7.435,1129 3.845,1130 3.829,1131 3.89,1132 3.866,1133 3.674,1134 7.427,1135 3.661,1136 3.765,1137 3.792,1138 3.708,1139 3.616,1140 7.422,1141 3.618,1142 3.633,1143 3.686,1144 3.582,1145 3.413,1146 5.014,1147 3.431,1148 3.497,1149 3.552,1150 3.549,1151 3.286,1152 4.653,1153 3.298,1154 3.329,1155 3.376,1156 3.446,1157 3.137,1158 4.628,1159 3.136,1160 3.126,1161 3.206,1162 3.242,1163 2.986,1164 4.623,1165 2.973,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.904,1185 1.883,1186 2.017,1187 2.008,1188 1.299,1189 2.012,1190 1.896,1191 1.876,1192 1.987,1193 2.003,1194 1.179,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.153,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.862,1206 1.098,1207 1.851,1208 1.581,1209 1.528,1210 1.777,1211 1.801,1212 1.079,1213 1.799,1214 1.437,1215 1.381,1216 1.641,1217 1.666,1218 0.868,1219 1.667,1220 1.263,1221 1.211,1222 1.513,1223 1.488,1224 0.825,1225 1.494,1226 1.153,1227 1.09,1228 1.486,1229 1.376,1230 0.66,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.226,1236 4.844,1237 8.79,1238 7.018,1239 10.402,1242 12.529,1243 13.438,1247 5.246,1248 5.64,1249 5.354,1250 1.271,1251 -1.259,1252 3.75,1257 45.072,1258 129.088,1259 260.13,1260 350.643,1261 395.05,1262 397.05,1263 397.05,1264 123.639,1265 7.885,1266 90.98,1267 116.28,1268 23,1269 12.739,1270 4,1271 3.322,1272 70.17,1273 198,1274 242,1275 0.16,1276 286.001,1277 514.82,1278 689.601,1279 31210,1280 4.3,1281 27.777,1282 0.712,1283 0.607,1284 28.261,1285 23.665,1286 18.796,1287 0.448,1288 0.345,1289 12.725,1290 16.969,1291 12.372,1292 10.07,1293 19.387,1294 14.486,1295 16.927,1296 0.297,1297 0.202,1298 17.688,1299 11.509,1300 13.368,1301 0.188,1302 0.12,1303 14.501,1304 8.529,1305 10.957,1306 0.12,1307 0.072,1308 12.446,1309 6.546,1310 8.651,1311 0.078,1312 0.04,1313 9.802,1314 4.459,1315 0.255,1316 128.864,1317 0.19,1318 35.749,1319 0.428,1320 198,1321 694.276,1322 276.841,1323 708.161,1324 904.89,1325 658,1326 227,1327 556.323,1328 294.924,1329 583.053,1330 855.11,1331 548,1332 5.824}
{0 CHEMBL44187,1 1.743,2 15.795,3 3.809,4 14.508,5 163.541,6 7.959,7 0.354,8 4.466,9 4.579,10 4.101,11 4.004,12 5.561,13 3.981,14 5.063,15 5.227,16 4.533,17 4.422,18 6.445,19 4.37,20 5.316,21 5.517,22 4.564,23 4.584,24 6.402,25 4.495,26 5.403,27 5.625,28 4.545,29 4.581,30 6.509,31 4.48,32 5.383,33 5.612,34 4.582,35 4.523,36 6.602,37 4.437,38 5.369,39 5.599,40 4.555,41 4.472,42 6.544,43 4.396,44 5.305,45 5.513,46 4.523,47 4.432,48 6.54,49 4.39,50 5.31,51 5.5,52 4.561,53 4.434,54 6.801,55 4.383,56 0.148,57 1.355,58 15.321,59 7.858,60 28.879,61 9.279,62 1.171,63 2.576,64 36.138,65 13.452,66 163.833,67 16.163,68 0.907,69 2.594,70 48.826,71 18.097,72 105.541,73 22.256,74 1.076,75 2.806,76 58.104,77 19.705,78 154.974,79 24.005,80 1.196,81 2.638,82 55.859,83 18.672,84 181.588,85 23.84,86 1.376,87 2.707,88 60.64,89 18.245,90 154.978,91 21.966,92 1.059,93 2.483,94 49.359,95 16.275,96 153.662,97 19.463,98 1.662,99 2.607,100 51.813,101 17.31,102 303.503,103 19.245,104 38,105 67,106 0.266,107 0.553,108 0.739,109 0.848,110 0.882,111 0.89,112 3.81,113 0.973,114 -4.18,115 -4.13,116 -3.9,119 40.5,121 2,125 8,127 1,128 1,131 1,138 11,139 5,151 3,163 17,165 1,166 4,169 2,171 3,172 22,175 2,176 5,179 1,181 2,183 17,187 6,190 1,192 4,194 10,197 3,198 9,201 3,203 5,205 7,208 1,209 9,214 5,217 6,220 1,221 11,224 1,226 4,227 8,230 1,231 8,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 9,252 5130,253 29.454,254 29.454,255 29.454,256 29.454,257 29.454,258 27.092,259 33.273,260 17.555,261 30.273,262 23.738,263 23.738,264 23.738,265 23.738,266 23.738,267 20.013,268 39.569,269 8.384,270 25.103,271 4.561,272 2.674,273 1.457,274 0.738,275 0.516,276 0.465,277 4.51,283 1,284 1501,285 5,287 137.883,288 620.125,292 242.207,295 2.614,296 75.402,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 98.5,308 695,309 4.493,310 4.786,311 7.12,312 4.222,313 3.337,314 4.43,315 3.825,316 11.728,317 3.03,318 4.482,319 4.46,320 6.813,321 4.111,322 3.212,323 3.903,324 3.784,325 11.219,326 3.021,327 4.31,328 3.649,329 6.506,330 4.03,331 3.031,332 3.462,333 1.963,334 10.196,335 2.855,336 3.817,337 3.615,338 5.937,339 3.537,340 2.56,341 3.076,342 1.909,343 8.241,344 2.473,345 3.688,346 3.502,347 5.383,348 3.446,349 2.525,350 2.938,351 1.859,352 6.967,353 2.362,354 3.588,355 3.176,356 5.34,357 3.388,358 2.405,359 2.829,360 0.901,361 6.867,362 2.302,363 3.517,364 3.101,365 5.214,366 3.254,367 2.257,368 2.709,369 0.86,370 6.311,371 2.233,372 3.461,373 2.885,374 4.987,375 3.06,376 2.059,377 2.519,378 0.8,379 5.857,380 2.058,381 3.118,382 2.364,383 4.812,384 2.727,385 1.786,386 2.427,387 0.561,388 5.171,389 1.647,390 3.072,391 2.289,392 4.63,393 2.618,394 1.641,395 2.197,396 0.215,397 4.651,398 1.618,399 2.772,400 2.176,401 4.225,402 2.562,403 1.618,404 1.904,406 3.793,407 1.504,408 2.739,409 1.817,410 4.16,411 2.453,412 1.546,413 1.743,415 3.359,416 1.385,417 2.611,418 1.699,419 3.715,420 2.275,421 1.276,422 1.611,424 3.307,425 1.274,426 2.581,427 1.678,428 3.599,429 2.179,430 1.26,431 1.6,433 2.847,434 1.138,435 2.481,436 1.618,437 3.499,438 2.122,439 1.175,440 1.413,442 2.706,443 1.092,444 20.624,445 0.469,446 1.158,447 0.026,448 49,449 1.114,450 20.5,451 0.466,452 28.5,453 0.648,454 48.362,455 1.099,456 49.576,457 0.628,458 46.959,459 1.067,460 9.737,461 0.221,462 11.448,463 0.26,464 0.09,465 0.024,466 0.281,469 3,472 0.612,473 1.111,474 0.712,475 1.061,476 0.539,477 0.982,478 0.617,479 0.849,480 0.972,481 1.024,482 0.428,483 0.997,484 0.751,485 0.867,486 0.992,487 1.035,488 0.699,489 1.036,490 0.935,491 0.985,492 1.112,493 1.112,494 0.973,495 1.057,496 0.712,497 0.942,498 0.873,499 1.034,500 0.733,501 0.968,502 0.986,503 0.883,504 1.048,505 1.034,506 1.081,507 0.93,508 1.134,509 0.944,510 0.965,511 0.945,512 1.218,513 0.908,514 1.272,515 1.114,516 1.154,517 1.058,518 1.422,519 1.022,520 9,521 0.406,522 4.889,523 3.139,524 2.322,525 1.702,526 1.111,527 0.959,528 0.608,529 0.517,530 36103,531 106836,532 2.065,533 44.3,535 28,536 1,538 2,539 2,541 2,542 1.827,543 1.934,544 3.885,545 0.149,550 137.719,551 1.743,552 3.63,553 4.847,554 5.566,555 5.788,556 5.839,557 3.387,558 5.05,559 5.424,560 4.144,561 3919.89,562 9.638,563 75819.4,568 497.999,569 1.491,570 5.386,571 0.188,572 0.007,573 0.073,574 0.046,575 0.036,576 0.026,577 0.018,578 0.015,579 0.009,580 0.008,581 0.426,582 0.33,583 0.63,584 0.64,585 257.616,586 -0.035,587 -0.093,588 0.049,589 -0.007,590 -0.043,591 0.015,592 0.226,593 0.208,594 0.003,595 0.037,596 0.274,597 -0.025,598 -0.034,599 -0.022,600 -0.019,601 -0.005,602 -0.019,603 -0.031,604 -0.087,605 -0.065,606 -0.05,607 -0.059,608 -0.073,609 -0.048,610 0.103,611 -0.1,612 0.145,613 -0.033,614 0.103,615 0.036,616 -0.014,617 0.029,618 0.066,619 -0.003,620 -0.068,621 0.055,622 -0.119,623 -0.076,624 0.022,625 0.008,626 -0.103,627 0.045,628 0.02,629 -0.033,630 -0.066,631 -0.024,632 0.059,633 -0.071,634 5.813,635 6.532,636 0.614,637 67.981,638 1.017,639 1.137,640 2.954,641 8.729,642 0.661,643 3.892,644 4.22,645 4.454,646 4.7,647 4.927,648 4.963,649 5.106,650 5.193,651 5.293,652 5.308,653 9.557,654 0.636,655 628.78,656 3.892,657 5.442,658 6.282,659 7.16,660 8.021,661 8.904,662 9.776,663 10.662,664 11.541,665 12.431,666 5.1,669 1,673 3,680 2,681 11,686 3,688 17,703 79,705 20,706 3,707 48,709 83,710 32,711 16,712 5,713 11,717 5,718 6,721 1,724 1,726 1,727 3,729 19,730 13,733 3,737 3,741 3,745 3,747 35,748 11,749 2,750 12,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,803 3,805 44,810 10,811 2,812 1,813 1,814 2,815 2,816 1,824 3,825 5.1,828 3,829 1,832 22.75,833 13.745,834 9.583,835 4.742,836 2.808,837 1.331,838 0.971,839 10.862,840 11.293,841 4.103,842 4.625,843 5.11,844 5.618,845 6.136,846 6.296,847 6.636,848 6.887,849 7.177,850 6.985,851 0.909,852 68,853 17.071,854 7.972,855 8.081,856 30.913,857 25.849,859 2.581,860 113.583,864 388.446,865 199.922,866 42.27,868 86.435,869 44.88,870 32.22,871 167.703,872 474.881,873 87.15,875 66.034,876 104.239,877 100.549,878 62.707,879 11.771,880 408.895,881 7.76,882 388.446,883 209.973,884 131.315,885 32.22,887 364.904,888 143.857,889 11,891 76.918,892 133.055,894 32.22,895 433.327,896 128.705,897 199.922,900 396.206,901 87.924,902 110.487,903 36.022,904 131.315,905 388.446,906 173.585,907 199.922,909 0.582,910 0.33,911 0.175,912 0.099,913 30,914 14,915 0.133,916 11,917 1,918 1.074,919 5.294,920 444.435,921 0.074,922 27,923 229.46,924 1,928 32.307,929 14.793,930 8.554,931 2.049,932 173.585,933 18.39,938 0.333,940 36.022,941 761.954,942 59.5,946 39.4,950 -1.221,952 80.352,953 89.828,954 0.277,955 0.576,956 0.769,957 0.883,958 0.918,959 0.926,960 5.362,961 2.059,962 6.282,963 6.311,964 4.905,965 5.313,966 4.269,967 7.104,968 4.802,969 6.544,970 1.786,971 7.852,972 5.857,973 4.575,974 5.112,975 4.203,976 8.172,977 4.357,978 7.844,979 1.641,980 9.534,981 5.171,982 6.538,983 7.406,984 6.499,985 11.225,986 6.316,987 9.178,988 1.618,989 11.285,990 4.651,991 7.04,992 8.032,993 6.899,994 13.139,995 6.686,996 10.547,997 1.546,998 13.083,999 3.793,1000 8.498,1001 9.853,1002 9.063,1003 15.762,1004 8.126,1005 11.941,1006 1.276,1007 14.914,1008 3.359,1009 9.374,1010 10.884,1011 9.594,1012 17.994,1013 8.874,1014 13.354,1015 1.26,1016 16.768,1017 3.307,1018 10.644,1019 12.51,1020 11.695,1021 20.486,1022 10.102,1023 3.337,1024 1.175,1025 18.64,1026 2.847,1027 11.688,1028 13.753,1029 12.304,1030 22.84,1031 11.031,1032 3.212,1033 11.728,1034 20.526,1035 2.706,1036 12.891,1037 15.291,1038 14.343,1039 25.29,1040 12.174,1041 3.031,1042 11.219,1043 22.422,1044 4.43,1045 14.009,1046 16.645,1047 15.015,1048 27.692,1049 13.189,1050 2.56,1051 10.196,1052 24.327,1053 3.903,1054 15.19,1055 18.145,1056 16.995,1057 30.132,1058 14.298,1059 2.525,1060 8.241,1061 26.239,1062 3.462,1063 16.342,1064 19.558,1065 17.724,1066 32.554,1067 15.354,1068 2.405,1069 6.967,1070 28.157,1071 3.076,1072 17.519,1073 21.042,1074 19.649,1075 34.992,1076 16.452,1077 2.257,1078 6.867,1079 30.079,1080 2.938,1081 18.686,1082 22.486,1083 20.429,1084 37.424,1085 17.529,1086 33991,1087 58844,1088 31.898,1089 52.245,1090 72.495,1091 75.49,1092 72.778,1093 72.018,1094 71.767,1095 87.398,1096 33.354,1097 205.669,1098 68.004,1099 5.493,1100 6.786,1101 6.922,1102 5.362,1103 5.337,1104 7.43,1105 7.475,1106 19.148,1107 5.03,1108 22.498,1109 1.51,1110 1.573,1111 1.516,1112 1.5,1113 1.495,1114 1.821,1115 0.695,1116 4.285,1117 1.417,1118 4.098,1119 4.121,1120 4.112,1121 4.057,1122 8.513,1123 4.051,1124 3.99,1125 4.016,1126 4.033,1127 3.925,1128 7.999,1129 3.912,1130 3.834,1131 3.894,1132 3.821,1133 3.68,1134 7.999,1135 3.671,1136 3.786,1137 3.819,1138 3.708,1139 3.617,1140 7.435,1141 3.621,1142 3.643,1143 3.697,1144 3.554,1145 3.439,1146 7.427,1147 3.449,1148 3.545,1149 3.6,1150 3.493,1151 3.402,1152 7.422,1153 3.401,1154 3.446,1155 3.492,1156 3.355,1157 3.278,1158 4.898,1159 3.288,1160 3.34,1161 3.384,1162 3.302,1163 3.147,1164 4.695,1165 3.145,1166 0.094,1167 0.1,1168 0.148,1169 0.088,1170 0.07,1171 4.493,1172 0.092,1173 4.786,1174 0.08,1175 7.12,1176 0.244,1177 4.222,1178 0.063,1179 3.337,1180 4.43,1181 3.825,1182 11.728,1183 3.03,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.923,1191 1.901,1192 2.013,1193 2.015,1194 1.299,1195 2.015,1196 1.766,1197 1.701,1198 1.986,1199 1.998,1200 1.195,1201 1.998,1202 1.659,1203 1.626,1204 1.828,1205 1.878,1206 1.107,1207 1.861,1208 1.589,1209 1.535,1210 1.795,1211 1.821,1212 1.09,1213 1.816,1214 1.506,1215 1.465,1216 1.693,1217 1.689,1218 0.887,1219 1.689,1220 1.44,1221 1.385,1222 1.64,1223 1.609,1224 0.826,1225 1.634,1226 1.275,1227 1.226,1228 1.513,1229 1.472,1230 0.825,1231 1.484,1232 4.575,1233 5.9,1234 2.398,1235 7.409,1236 4.844,1237 9.003,1238 7.018,1239 10.643,1243 40.507,1247 4.724,1248 5.703,1249 5.345,1250 1.091,1251 -1.698,1252 3.524,1253 -4.563,1257 50.237,1258 137.719,1259 286.764,1260 382.925,1261 439.734,1262 457.244,1263 461.244,1264 137.842,1265 8.484,1266 90.98,1267 116.28,1268 29,1269 12.963,1270 4.392,1271 3.644,1272 73.722,1273 241,1274 292,1275 0.138,1276 306.445,1277 554.5,1278 739.485,1279 68269,1280 3.8,1281 31.106,1282 0.707,1283 0.567,1284 28.959,1285 24.963,1286 21.186,1287 0.441,1288 0.324,1289 14.448,1290 19.782,1291 14.161,1292 11.545,1293 20.383,1294 15.564,1295 19.619,1296 0.293,1297 0.181,1298 18.277,1299 12.131,1300 15.506,1301 0.182,1302 0.109,1303 15.418,1304 9.233,1305 12.671,1306 0.116,1307 0.063,1308 13.144,1309 6.898,1310 10.546,1311 0.077,1312 0.036,1313 10.926,1314 4.904,1315 0.221,1316 138.237,1317 0.177,1318 39.214,1319 0.37,1320 230,1321 866.092,1322 290.989,1323 762.65,1324 989.61,1325 710,1326 267,1327 657.265,1328 321.022,1329 654.991,1330 983.11,1331 616,1332 4.921}
{0 CHEMBL44188,1 1.849,2 15.55,3 4.616,4 21.307,5 160.336,6 9.264,7 0.279,8 4.344,9 4.447,10 4.111,11 3.93,12 5.418,13 3.885,14 4.928,15 5.085,16 4.539,17 4.358,18 6.004,19 4.276,20 5.21,21 5.397,22 4.646,23 4.526,24 6.269,25 4.404,26 5.255,27 5.458,28 4.759,29 4.511,30 6.354,31 4.368,32 5.212,33 5.434,34 4.547,35 4.408,36 6.404,37 4.301,38 5.19,39 5.387,40 4.596,41 4.405,42 6.395,43 4.303,44 5.176,45 5.375,46 4.533,47 4.375,48 6.387,49 4.284,50 5.111,51 5.283,52 4.652,53 4.377,54 6.464,55 4.275,56 0.149,57 0.985,58 10.5,59 6.439,60 14.371,61 7.709,62 0.616,63 1.644,64 28.929,65 11.799,66 44.778,67 13.865,68 1.001,69 1.949,70 51.32,71 17.087,72 98.217,73 19.706,74 1.151,75 1.99,76 70.899,77 18.716,78 120.67,79 21.397,80 1.125,81 1.938,82 53.857,83 17.136,84 146.004,85 20.846,86 1.139,87 1.83,88 57.501,89 16.655,90 127.683,91 19.016,92 1.175,93 1.799,94 51.328,95 15.578,96 133.799,97 17.54,98 1.195,99 1.686,100 52.499,101 15.84,102 162.756,103 17.496,104 50,105 59,106 0.291,107 0.576,108 0.766,109 0.856,110 0.874,111 0.888,112 3.717,113 1.071,114 -4.4,115 -4.33,116 -4.09,119 38.6,121 2,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 4,165 1,166 4,169 2,171 3,172 16,175 2,176 4,179 1,181 1,183 7,187 7,190 1,192 4,194 11,197 3,198 6,201 3,203 2,205 2,208 1,209 10,214 4,217 8,220 1,221 7,224 1,226 4,227 3,230 1,231 7,234 2,235 1,236 3,238 8,241 2,242 9,247 1,249 5,252 4048,253 26.568,254 26.568,255 26.568,256 26.568,257 26.568,258 24.52,259 32.533,260 15.819,261 27.629,262 21.21,263 21.21,264 21.21,265 21.21,266 21.21,267 18.028,268 35.1,269 7.576,270 23.084,271 4.28,272 2.466,273 1.261,274 0.686,275 0.571,276 0.486,277 4.407,279 4,283 1,284 1318,285 4.416,287 131.129,288 475.587,295 2.655,296 58.511,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 87.333,308 622,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.231,319 3.669,320 6.204,321 3.795,322 2.859,323 3.879,324 1.963,325 9.037,326 2.654,327 4.108,328 3.615,329 6.059,330 3.736,331 2.794,332 3.387,333 1.909,334 8.708,335 2.606,336 3.698,337 3.515,338 5.509,339 3.451,340 2.525,341 2.886,342 1.859,343 7.114,344 2.394,345 3.596,346 3.265,347 5.34,348 3.416,349 2.442,350 2.812,351 0.901,352 6.965,353 2.306,354 3.516,355 3.248,356 5.135,357 3.26,358 2.281,359 2.78,360 0.86,361 6.215,362 2.224,363 3.495,364 3.001,365 5.017,366 3.072,367 2.167,368 2.687,369 0.8,370 5.973,371 1.885,372 3.436,373 2.885,374 4.943,375 2.977,376 2.079,377 2.519,378 0.561,379 5.739,380 1.772,381 2.98,382 2.747,383 4.807,384 2.652,385 1.755,386 2.089,387 0.215,388 5.058,389 1.548,390 2.85,391 2.649,392 4.591,393 2.519,394 1.614,395 1.978,397 4.408,398 1.434,399 2.737,400 2.176,401 4.163,402 2.418,403 1.537,404 1.751,406 3.741,407 1.274,408 2.611,409 2.084,410 3.998,411 2.359,412 1.454,413 1.605,415 3.308,416 1.241,417 2.561,418 1.819,419 3.715,420 2.178,421 1.26,422 1.515,424 3.125,425 1.137,426 2.311,427 1.68,428 3.475,429 2.112,430 1.174,431 1.295,433 2.704,434 1.06,435 2,436 1.678,437 3.292,438 1.952,439 1,440 1,442 2.136,443 0.946,444 20.124,445 0.503,446 1.052,447 0.026,448 42.75,449 1.069,450 16.5,451 0.413,452 26.25,453 0.656,454 47.887,455 1.197,456 44.676,457 0.638,458 35.916,459 0.898,460 8.158,461 0.204,462 11.049,463 0.276,464 0.192,466 0.313,472 0.674,473 1.395,474 0.56,475 0.897,476 0.518,477 0.89,478 0.842,479 1.149,480 0.742,481 0.885,482 0.566,483 0.898,484 1.061,485 1,486 0.967,487 0.953,488 1.056,489 0.988,490 0.962,491 1.083,492 0.907,493 1.056,494 1.137,495 1.023,496 0.749,497 0.992,498 0.678,499 0.882,500 0.853,501 0.83,502 1.047,503 1.061,504 0.866,505 1.01,506 1.252,507 0.972,508 1.294,509 0.9,510 0.885,511 0.855,512 1.575,513 0.883,514 1.007,515 1.104,516 0.917,517 1.069,518 1.296,519 1.006,520 8.5,521 0.35,522 4.444,523 3.076,524 2.353,525 1.671,526 0.949,527 0.867,528 0.488,529 0.443,530 27332,531 94561,532 2.021,533 42.9,535 23,536 1,538 2,539 2,541 2,542 1.803,543 1.875,544 3.86,545 0.224,550 129.461,551 1.849,552 3.663,553 4.868,554 5.444,555 5.558,556 5.644,557 3.378,558 5.122,559 5.285,560 4.099,561 3196.94,562 9.353,563 57839.1,568 429.05,569 1.467,570 5.242,571 0.198,572 0.007,573 0.075,574 0.051,575 0.042,576 0.029,577 0.017,578 0.016,579 0.009,580 0.009,581 0.452,582 0.17,583 0.75,584 0.573,585 228.319,586 -0.053,587 -0.165,588 0.015,589 -0.016,590 -0.009,591 0.001,592 -0.042,593 0.032,594 0.001,595 0.068,596 0.032,597 0.017,598 -0.121,599 0.052,600 -0.06,601 0.039,602 -0.113,603 -0.024,604 -0.015,605 -0.064,606 0.084,607 -0.016,608 -0.059,609 -0.029,610 0.156,611 0.018,612 0.119,613 0.088,614 0.206,615 0.153,616 -0.008,617 -0.053,618 0.018,619 -0.038,620 -0.005,621 -0.01,622 -0.149,623 0.114,624 -0.029,625 0.084,626 -0.137,627 0.051,628 0.114,629 -0.087,630 0.034,631 -0.051,632 0.142,633 -0.047,634 2.022,635 6.462,636 0.575,637 60.38,638 1.019,639 1.125,640 3.172,641 10.06,642 0.705,643 3.784,644 4.094,645 4.317,646 4.554,647 4.754,648 4.796,649 4.852,650 4.949,651 5.011,652 5.05,653 9.154,654 0.662,655 648.48,656 3.784,657 5.323,658 6.155,659 7.022,660 7.875,661 8.75,662 9.615,663 10.496,664 11.37,665 12.256,666 5.7,669 1,673 3,681 6,686 6,688 12,702 4,703 70,705 15,706 2,707 43,709 73,710 27,711 12,712 6,713 6,717 4,718 4,719 4,724 1,727 3,729 15,730 12,733 3,737 3,741 3,747 30,748 8,749 2,750 13,751 5,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 4,805 40,810 10,811 2,812 1,813 1,814 2,815 2,824 4,825 5.7,828 3,829 1,832 21.333,833 12.221,834 8.833,835 4.16,836 1.621,837 1.204,838 0.95,839 12.123,840 9.571,841 3.97,842 4.466,843 4.871,844 5.292,845 5.735,846 5.783,847 5.829,848 6.107,849 6.284,850 6.342,851 0.909,852 60,853 14.963,854 6.477,855 7.911,856 28.17,857 23.235,859 2.411,860 96.444,864 329.591,865 150.453,866 42.27,867 156.595,868 86.435,870 32.22,871 118.233,872 572.62,873 42.27,875 66.034,876 56.857,877 100.549,878 23.498,879 11.771,880 350.039,881 156.595,882 329.591,883 160.503,884 86.435,885 188.814,887 306.049,888 98.977,889 11,891 69.158,892 91.345,893 156.595,894 32.22,895 329.591,896 128.705,897 307.047,900 329.591,901 93.595,902 63.106,903 36.022,904 243.029,905 329.591,906 128.705,907 307.047,909 0.58,910 0.329,911 0.173,912 0.097,913 25,914 13,915 0.151,916 11,918 1,919 4.98,920 379.589,922 23,923 208.877,924 1,928 31.696,929 15.299,930 9.131,932 128.705,933 10.065,938 3.156,940 36.022,941 765.343,942 52,946 39.101,950 -0.884,952 71.342,953 78.755,954 0.302,955 0.598,956 0.794,957 0.888,958 0.907,959 0.921,960 5.226,961 2.079,962 6.138,963 5.973,964 4.779,965 5.153,966 3.944,967 6.921,968 4.615,969 6.393,970 1.755,971 7.683,972 5.739,973 4.369,974 4.956,975 2.909,976 7.771,977 4.074,978 7.678,979 1.614,980 9.327,981 5.058,982 6.347,983 7.171,984 6.086,985 10.875,986 6.052,987 8.99,988 1.537,989 11.03,990 4.408,991 6.735,992 7.745,993 5.238,994 12.593,995 6.315,996 10.334,997 1.454,998 12.773,999 3.741,1000 8.198,1001 9.495,1002 8.608,1003 15.237,1004 7.766,1005 11.699,1006 1.26,1007 14.546,1008 3.308,1009 8.971,1010 10.426,1011 7.914,1012 17.347,1013 8.418,1014 13.081,1015 1.174,1016 16.341,1017 3.125,1018 10.23,1019 11.991,1020 11.213,1021 19.84,1022 9.643,1023 3.266,1024 1,1025 18.155,1026 2.704,1027 11.195,1028 13.106,1029 10.72,1030 22.128,1031 10.495,1032 2.859,1033 11.459,1034 19.985,1035 2.136,1036 12.375,1037 14.582,1038 13.839,1039 24.572,1040 11.622,1041 2.794,1042 9.037,1043 21.828,1044 3.947,1045 13.437,1046 15.8,1047 13.531,1048 26.939,1049 12.58,1050 2.525,1051 8.708,1052 23.682,1053 3.879,1054 14.593,1055 17.228,1056 16.47,1057 29.371,1058 13.668,1059 2.442,1060 7.114,1061 25.546,1062 3.387,1063 15.704,1064 18.505,1065 16.323,1066 31.774,1067 14.682,1068 2.281,1069 6.965,1070 27.418,1071 2.886,1072 16.856,1073 19.906,1074 19.103,1075 34.204,1076 15.757,1077 2.167,1078 6.215,1079 29.297,1080 2.812,1081 17.993,1082 21.218,1083 19.094,1084 36.624,1085 16.802,1086 26251,1087 49135,1088 28.145,1089 49.341,1090 63.77,1091 68.851,1092 65.674,1093 63.996,1094 63.316,1095 75.524,1096 25.703,1097 178.173,1098 57.636,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 23.143,1109 1.483,1110 1.601,1111 1.527,1112 1.488,1113 1.472,1114 1.756,1115 0.598,1116 4.144,1117 1.34,1118 3.995,1119 4.019,1120 4.17,1121 3.94,1122 7.435,1123 3.92,1124 3.919,1125 3.937,1126 4.089,1127 3.876,1128 7.427,1129 3.864,1130 3.829,1131 3.889,1132 3.958,1133 3.675,1134 7.422,1135 3.662,1136 3.765,1137 3.791,1138 3.708,1139 3.616,1140 5.025,1141 3.618,1142 3.633,1143 3.685,1144 3.611,1145 3.414,1146 5.004,1147 3.431,1148 3.497,1149 3.55,1150 3.58,1151 3.291,1152 4.63,1153 3.301,1154 3.329,1155 3.374,1156 3.547,1157 3.145,1158 4.629,1159 3.14,1160 3.128,1161 3.206,1162 3.452,1163 3.007,1164 4.627,1165 2.989,1166 0.103,1167 0.111,1168 0.16,1169 0.097,1170 0.076,1171 4.432,1172 0.092,1173 4.788,1174 0.088,1175 6.875,1176 0.266,1177 4.19,1178 0.07,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.901,1185 1.884,1186 1.987,1187 2.004,1188 1.299,1189 2.002,1190 1.896,1191 1.881,1192 1.973,1193 1.981,1194 1.18,1195 1.99,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.158,1201 1.97,1202 1.649,1203 1.616,1204 1.825,1205 1.86,1206 1.099,1207 1.85,1208 1.581,1209 1.528,1210 1.773,1211 1.795,1212 1.081,1213 1.796,1214 1.437,1215 1.381,1216 1.64,1217 1.664,1218 0.868,1219 1.666,1220 1.261,1221 1.214,1222 1.513,1223 1.479,1224 0.825,1225 1.486,1226 1.153,1227 1.09,1228 1.465,1229 1.376,1230 0.66,1231 1.429,1232 4.466,1233 5.778,1234 2.398,1235 7.266,1236 4.844,1237 8.839,1238 7.018,1239 10.46,1242 24.714,1247 5.371,1248 5.725,1249 5.363,1250 1.29,1251 -1.23,1252 3.774,1257 46.344,1258 129.461,1259 256.413,1260 340.785,1261 381.05,1262 389.05,1263 395.05,1264 124.314,1265 7.949,1266 90.98,1267 116.28,1268 23,1269 12.79,1270 4,1271 3.322,1272 73.038,1273 208,1274 252,1275 0.159,1276 301.468,1277 539.17,1278 727.342,1279 33867,1280 5.7,1281 28.648,1282 0.716,1283 0.637,1284 31.001,1285 25.478,1286 19.206,1287 0.447,1288 0.357,1289 12.916,1290 16.896,1291 12.474,1292 10.126,1293 20.769,1294 15.348,1295 17.445,1296 0.296,1297 0.211,1298 19.619,1299 12.458,1300 13.895,1301 0.188,1302 0.125,1303 15.964,1304 9.229,1305 11.27,1306 0.12,1307 0.075,1308 13.802,1309 7.032,1310 8.836,1311 0.077,1312 0.041,1313 10.516,1314 4.731,1315 0.254,1316 136.813,1317 0.188,1318 36.465,1319 0.425,1320 204,1321 668.572,1322 310.049,1323 770.1,1324 976.82,1325 714,1326 235,1327 567.716,1328 321.483,1329 620.402,1330 911.51,1331 583,1332 5.611}
{0 CHEMBL44198,1 1.73,2 15,3 3.665,4 13.429,5 155.145,6 8.132,7 0.286,8 4.373,9 4.487,10 4.033,11 3.931,12 5.414,13 3.882,14 4.959,15 5.131,16 4.436,17 4.35,18 5.982,19 4.265,20 5.244,21 5.451,22 4.527,23 4.517,24 6.244,25 4.394,26 5.298,27 5.518,28 4.633,29 4.528,30 6.332,31 4.386,32 5.298,33 5.529,34 4.515,35 4.462,36 6.465,37 4.347,38 5.269,39 5.492,40 4.529,41 4.449,42 6.374,43 4.329,44 5.23,45 5.443,46 4.508,47 4.406,48 6.407,49 4.307,50 5.16,51 5.344,52 4.501,53 4.377,54 6.461,55 4.278,56 0.068,57 1.045,58 14.5,59 7.017,60 10.375,61 8.88,62 0.486,63 1.739,64 33.924,65 12.291,66 41.362,67 15.581,68 0.795,69 2.097,70 52.17,71 17.012,72 83.982,73 21.223,74 0.801,75 2.161,76 65.506,77 18.755,78 92.437,79 23.215,80 0.991,81 2.12,82 55.851,83 17.816,84 147.306,85 22.889,86 0.873,87 2.006,88 59.949,89 17.551,90 111.262,91 21.793,92 0.936,93 1.946,94 55.755,95 16.42,96 115.287,97 19.798,98 1.047,99 1.815,100 52.302,101 15.616,102 156.855,103 18.546,104 37,105 57,106 0.27,107 0.565,108 0.775,109 0.863,110 0.874,111 0.874,112 3.693,113 1.06,114 -3.94,115 -3.9,116 -3.7,119 38.4,120 1,121 2,125 7,127 2,128 1,138 8,139 2,140 2,151 3,163 8,165 1,166 4,169 2,171 4,172 16,175 2,176 4,179 1,181 2,183 9,187 8,190 1,192 3,194 11,197 3,198 7,201 3,203 3,205 4,208 1,209 9,214 3,217 8,220 1,221 10,224 1,226 4,227 5,230 1,231 8,234 2,235 1,236 3,238 7,241 2,242 7,247 1,249 8,252 3759,253 26.12,254 26.12,255 26.12,256 26.12,257 26.12,258 24.174,259 31.638,260 15.732,261 26.941,262 20.744,263 20.744,264 20.744,265 20.744,266 20.744,267 17.745,268 37.251,269 7.54,270 22.133,271 4.46,272 2.569,273 1.219,274 0.661,275 0.586,276 0.586,277 4.383,279 2,283 1,284 1243,285 4.528,287 127.852,288 463.506,295 2.41,296 51.389,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 84.667,308 585,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.009,318 4.115,319 3.677,320 6.205,321 3.809,322 2.833,323 3.545,324 1.963,325 9.045,326 2.771,327 4.058,328 3.616,329 6.041,330 3.725,331 2.775,332 3.386,333 1.909,334 8.638,335 2.609,336 3.685,337 3.529,338 5.505,339 3.447,340 2.525,341 2.878,342 1.859,343 7.094,344 2.385,345 3.588,346 3.261,347 5.34,348 3.398,349 2.415,350 2.812,351 0.901,352 6.965,353 2.304,354 3.516,355 3.027,356 5.135,357 3.24,358 2.262,359 2.725,360 0.86,361 6.215,362 2.214,363 3.485,364 2.984,365 5.01,366 3.063,367 2.135,368 2.519,369 0.8,370 5.923,371 1.886,372 3.078,373 2.885,374 4.822,375 2.742,376 1.804,377 2.249,378 0.561,379 5.128,380 1.705,381 2.974,382 2.649,383 4.606,384 2.606,385 1.653,386 2.085,387 0.215,388 4.436,389 1.536,390 2.736,391 2.176,392 4.125,393 2.517,394 1.613,395 1.751,397 3.745,398 1.426,399 2.611,400 1.857,401 3.994,402 2.4,403 1.51,404 1.605,406 3.306,407 1.27,408 2.562,409 1.818,410 3.714,411 2.178,412 1.26,413 1.518,415 3.124,416 1.138,417 2.5,418 1.68,419 3.48,420 2.113,421 1.174,422 1.5,424 2.704,425 1.065,426 2.33,427 1.678,428 3.422,429 2,430 1.005,431 1.301,433 2.408,434 1,435 2.306,436 1.256,437 3.247,438 1.989,439 1,440 1.257,442 2.136,443 0.98,444 19.195,445 0.492,446 0.945,447 0.024,448 41.75,449 1.071,450 16.5,451 0.423,452 25.25,453 0.647,454 45.59,455 1.169,456 43.805,457 0.6,458 35.195,459 0.902,460 7.961,461 0.204,462 10.852,463 0.278,464 0.153,466 0.302,472 0.69,473 1.401,474 0.642,475 1.001,476 0.53,477 0.971,478 0.86,479 1.18,480 0.844,481 0.984,482 0.572,483 0.967,484 1.07,485 0.98,486 0.991,487 0.96,488 1.054,489 0.987,490 0.945,491 1.097,492 0.913,493 1.069,494 1.116,495 1.02,496 0.838,497 1.004,498 0.759,499 0.931,500 0.996,501 0.884,502 1.101,503 1.003,504 0.905,505 0.954,506 1.283,507 0.934,508 1.315,509 0.949,510 1.012,511 0.96,512 1.554,513 0.881,514 1.261,515 1.08,516 1.147,517 1.12,518 1.575,519 1.046,520 7.5,521 0.333,522 4,523 3.076,524 2.091,525 1.622,526 0.951,527 0.846,528 0.472,529 0.468,530 25269,531 72602,532 2.037,533 46.6,535 24,536 1,538 2,539 2,540 3,541 2,542 1.798,543 1.902,544 3.826,545 0.187,550 126.278,551 1.73,552 3.621,553 4.97,554 5.529,555 5.604,556 5.604,557 3.36,558 5.029,559 5.248,560 4.043,561 2996.12,562 9.284,563 52749,568 451.857,569 1.42,570 5.213,571 0.179,572 0.007,573 0.07,574 0.053,575 0.037,576 0.028,577 0.017,578 0.015,579 0.009,580 0.009,581 0.424,582 0.33,583 0.75,584 0.551,585 220.297,586 -0.039,587 -0.161,588 0.033,589 -0.02,590 -0.016,591 0.001,592 -0.009,593 -0.004,595 0.027,596 0.029,597 -0.009,598 -0.093,599 0.083,600 -0.042,601 0.045,602 -0.103,603 -0.017,604 -0.006,605 -0.071,606 0.101,607 -0.022,608 -0.042,609 -0.027,610 0.163,611 -0.008,612 0.116,613 0.049,614 0.191,615 0.089,616 -0.021,617 -0.018,618 0.072,619 0.033,620 -0.027,621 0.039,622 -0.08,623 0.071,624 0.01,625 0.056,626 -0.06,627 0.073,628 0.045,629 -0.055,630 -0.068,631 -0.084,632 0.083,633 -0.089,634 1.973,635 6.488,636 0.59,637 56.607,638 1.008,639 1.127,640 2.714,641 7.363,642 0.677,643 3.761,644 4.06,645 4.29,646 4.533,647 4.718,648 4.754,649 4.86,650 4.927,651 5.017,652 5.043,653 8.834,654 0.633,655 593.63,656 3.761,657 5.293,658 6.125,659 6.989,660 7.842,661 8.716,662 9.581,663 10.461,664 11.336,665 12.222,666 5.5,669 1,673 3,681 8,686 4,688 12,702 2,703 73,705 15,706 2,707 42,709 76,710 28,711 12,712 4,713 8,717 4,718 4,719 2,721 1,724 1,727 4,729 15,730 13,733 3,737 3,741 3,747 34,748 8,749 2,750 11,751 3,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 1,802 2,805 39,810 9,811 2,812 1,813 1,814 3,815 2,824 2,825 5.5,828 3,829 1,832 20.5,833 12.936,834 8.667,835 4.442,836 1.52,837 1.194,838 0.943,839 11.381,840 9.373,841 3.951,842 4.419,843 4.82,844 5.242,845 5.666,846 5.671,847 5.839,848 6.045,849 6.26,850 6.292,851 1,852 58,853 14.618,854 6.293,855 7.826,856 27.805,857 22.958,859 2.326,860 90.722,864 376.675,865 169.123,866 42.27,867 78.297,868 86.435,870 32.22,871 136.904,872 541.407,873 42.27,874 8.825,875 63.928,876 75.81,877 100.549,878 16.497,879 11.771,880 397.124,881 78.297,882 376.675,883 179.174,884 86.435,885 110.517,887 317.82,888 134.29,889 11,891 75.878,892 103.296,893 78.297,894 32.22,895 376.675,896 128.705,897 247.421,900 376.675,901 84.488,902 90.884,903 36.022,904 164.732,905 376.675,906 128.705,907 247.421,909 0.575,910 0.328,911 0.177,912 0.096,913 24,914 12,915 0.145,916 11,918 1,919 4.907,920 368.166,922 23,923 198.131,924 1,928 30.16,929 14.717,930 8.589,932 128.705,933 14.737,938 2.55,940 36.022,941 752.801,942 51,946 39.237,950 -0.738,952 73.578,953 82.282,954 0.279,955 0.585,956 0.803,957 0.893,958 0.905,959 0.905,960 5.198,961 1.804,962 6.098,963 5.923,964 4.745,965 5.106,966 3.944,967 6.878,968 4.621,969 6.35,970 1.653,971 7.639,972 5.128,973 4.29,974 4.796,975 2.909,976 7.724,977 4.084,978 7.622,979 1.613,980 9.281,981 4.436,982 6.304,983 7.074,984 6.086,985 10.844,986 6.071,987 8.922,988 1.51,989 10.986,990 3.745,991 6.673,992 7.548,993 5.238,994 12.572,995 6.354,996 10.256,997 1.26,998 12.733,999 3.306,1000 8.157,1001 9.346,1002 8.608,1003 15.221,1004 7.805,1005 11.611,1006 1.174,1007 14.51,1008 3.124,1009 8.923,1010 10.19,1011 7.914,1012 17.338,1013 8.48,1014 12.986,1015 1.005,1016 16.31,1017 2.704,1018 10.192,1019 11.788,1020 11.213,1021 19.832,1022 9.704,1023 3.266,1024 1,1025 18.129,1026 2.408,1027 11.157,1028 12.831,1029 10.72,1030 22.122,1031 10.575,1032 2.833,1033 11.459,1034 19.963,1035 2.136,1036 12.342,1037 14.327,1038 13.839,1039 24.567,1040 11.702,1041 2.775,1042 9.045,1043 21.809,1044 3.947,1045 13.405,1046 15.488,1047 13.531,1048 26.936,1049 12.671,1050 2.525,1051 8.638,1052 23.666,1053 3.545,1054 14.564,1055 16.927,1056 16.47,1057 29.368,1058 13.76,1059 2.415,1060 7.094,1061 25.533,1062 3.386,1063 15.676,1064 18.161,1065 16.323,1066 31.772,1067 14.78,1068 2.262,1069 6.965,1070 27.407,1071 2.878,1072 16.83,1073 19.567,1074 19.103,1075 34.203,1076 15.857,1077 2.135,1078 6.215,1079 29.287,1080 2.812,1081 17.969,1082 20.847,1083 19.094,1084 36.623,1085 16.904,1086 24205,1087 41303,1088 27.739,1089 49.387,1090 62.539,1091 66.778,1092 63.868,1093 62.285,1094 61.896,1095 73.749,1096 25.703,1097 172.346,1098 57.841,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 6.947,1105 7.434,1106 18.974,1107 5.009,1108 20.669,1109 1.489,1110 1.59,1111 1.521,1112 1.483,1113 1.474,1114 1.756,1115 0.612,1116 4.103,1117 1.377,1118 3.998,1119 4.026,1120 4.167,1121 3.939,1122 7.435,1123 3.92,1124 3.92,1125 3.95,1126 3.961,1127 3.861,1128 7.427,1129 3.853,1130 3.829,1131 3.89,1132 3.854,1133 3.674,1134 7.422,1135 3.661,1136 3.764,1137 3.791,1138 3.707,1139 3.616,1140 5.014,1141 3.618,1142 3.636,1143 3.689,1144 3.582,1145 3.417,1146 4.76,1147 3.436,1148 3.52,1149 3.579,1150 3.549,1151 3.335,1152 4.629,1153 3.335,1154 3.369,1155 3.427,1156 3.461,1157 3.195,1158 4.627,1159 3.189,1160 3.226,1161 3.272,1162 3.245,1163 3.054,1164 4.237,1165 3.044,1166 0.106,1167 0.114,1168 0.164,1169 0.1,1170 0.078,1171 4.432,1172 0.094,1173 4.788,1174 0.09,1175 6.875,1176 0.273,1177 4.19,1178 0.072,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.009,1184 1.924,1185 1.894,1186 2.054,1187 2.022,1188 1.299,1189 2.034,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.205,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.173,1201 1.97,1202 1.653,1203 1.619,1204 1.826,1205 1.862,1206 1.1,1207 1.852,1208 1.584,1209 1.53,1210 1.793,1211 1.805,1212 1.082,1213 1.806,1214 1.453,1215 1.392,1216 1.697,1217 1.679,1218 0.869,1219 1.685,1220 1.399,1221 1.342,1222 1.625,1223 1.581,1224 0.827,1225 1.616,1226 1.153,1227 1.092,1228 1.513,1229 1.39,1230 0.825,1231 1.429,1232 4.443,1233 5.746,1234 2.398,1235 7.231,1236 4.844,1237 8.799,1238 7.018,1239 10.414,1241 1.906,1242 12.594,1247 5.353,1248 5.908,1249 5.369,1250 1.33,1251 -1.342,1252 3.818,1257 46.216,1258 126.278,1259 264.308,1260 362.838,1261 403.593,1262 409.102,1263 409.102,1264 114.858,1265 7.853,1266 90.98,1267 116.28,1268 23,1269 12.757,1270 4,1271 3.322,1272 70.137,1273 195,1274 242,1275 0.163,1276 294.395,1277 526.05,1278 710.083,1279 29590,1280 2.7,1281 27.777,1282 0.712,1283 0.621,1284 29.131,1285 24.235,1286 18.813,1287 0.448,1288 0.353,1289 13.1,1290 17.104,1291 12.676,1292 10.368,1293 19.798,1294 14.834,1295 16.823,1296 0.295,1297 0.207,1298 18.218,1299 11.802,1300 13.484,1301 0.187,1302 0.123,1303 14.938,1304 8.828,1305 11.123,1306 0.121,1307 0.073,1308 12.959,1309 6.751,1310 8.593,1311 0.077,1312 0.041,1313 9.907,1314 4.53,1315 0.259,1316 128.053,1317 0.19,1318 35.652,1319 0.438,1320 198,1321 606.165,1322 273.343,1323 652.525,1324 844.48,1325 608,1326 228,1327 524.272,1328 293.181,1329 557.625,1330 819.03,1331 525,1332 5.097}
{0 CHEMBL44259,1 1.683,2 14.5,3 4.714,4 22.219,5 162.999,6 8.13,7 0.395,8 4.377,9 4.493,10 4.042,11 3.967,12 5.444,13 3.911,14 4.942,15 5.123,16 4.451,17 4.388,18 5.963,19 4.3,20 5.198,21 5.379,22 4.573,23 4.572,24 6.249,25 4.453,26 5.352,27 5.572,28 4.671,29 4.586,30 6.397,31 4.446,32 5.304,33 5.534,34 4.559,35 4.506,36 6.455,37 4.394,38 5.294,39 5.517,40 4.592,41 4.509,42 6.417,43 4.399,44 5.279,45 5.47,46 4.552,47 4.505,48 6.493,49 4.4,50 5.278,51 5.485,52 4.568,53 4.495,54 6.513,55 4.369,56 0.028,57 1.049,58 14.351,59 6.99,60 9.275,61 8.97,62 0.424,63 1.762,64 33.387,65 12.048,66 32.679,67 15.511,68 0.465,69 2.095,70 46.854,71 17.157,72 65.968,73 21.142,74 0.797,75 2.319,76 68.391,77 19.966,78 104.906,79 24.388,80 0.831,81 2.255,82 54.833,83 18.078,84 128.946,85 23.311,86 0.774,87 2.156,88 60.342,89 17.907,90 100.357,91 22.139,92 0.78,93 2.112,94 55.333,95 17.806,96 121.256,97 20.864,98 0.992,99 2.066,100 57.744,101 18.432,102 160.969,103 22.326,104 72,105 60,106 0.26,107 0.545,108 0.747,109 0.856,110 0.88,111 0.888,112 3.717,113 1.037,114 -4.92,115 -4.83,116 -4.53,119 40.5,121 2,124 3,125 4,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 2,166 5,169 1,171 2,172 23,175 2,176 4,181 2,183 16,186 1,187 7,192 4,194 14,197 4,198 8,201 2,203 3,205 5,208 1,209 12,214 2,217 8,220 1,221 13,226 1,227 7,230 2,231 9,234 2,236 3,238 8,241 1,242 10,249 9,252 3636,253 26.413,254 26.413,255 26.413,256 26.413,257 26.413,258 23.932,259 27.364,260 15.551,261 27.117,262 21.182,263 21.182,264 21.182,265 21.182,266 21.182,267 17.336,268 30.49,269 7.384,270 22.388,271 4.526,272 2.686,273 1.379,274 0.673,275 0.517,276 0.463,277 4.406,279 2,283 1,284 1226,285 4.899,287 125.993,288 396.338,292 216.788,295 2.275,296 47.496,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 85.667,308 580,309 4.493,310 4.788,311 6.877,312 4.193,313 3.269,314 4.43,315 3.784,316 11.465,317 3.029,318 4.434,319 3.724,320 6.506,321 4.03,322 3.032,323 3.947,324 1.991,325 10.196,326 3.012,327 4.115,328 3.669,329 6.208,330 3.75,331 2.805,332 3.395,333 1.909,334 9.048,335 2.63,336 3.874,337 3.52,338 5.882,339 3.649,340 2.686,341 3.039,342 1.86,343 8.005,344 2.58,345 3.665,346 3.267,347 5.461,348 3.365,349 2.389,350 2.938,351 0.91,352 6.906,353 2.319,354 3.509,355 3.104,356 5.22,357 3.137,358 2.217,359 2.83,360 0.8,361 6.307,362 2.073,363 3.454,364 3.005,365 5.083,366 3.107,367 2.174,368 2.717,369 0.569,370 5.99,371 2.036,372 3.226,373 2.65,374 4.851,375 3.03,376 2.059,377 2.427,378 0.561,379 5.269,380 1.881,381 3.118,382 2.581,383 4.662,384 2.707,385 1.793,386 2.228,387 0.046,388 5.154,389 1.618,390 2.99,391 2.29,392 4.626,393 2.618,394 1.618,395 2.093,397 4.499,398 1.603,399 2.802,400 2.19,401 4.163,402 2.472,403 1.603,404 1.904,406 3.795,407 1.34,408 2.769,409 1.806,410 4.03,411 2.326,412 1.354,413 1.822,415 3.343,416 1.278,417 2.565,418 1.68,419 3.969,420 2.273,421 1.274,422 1.52,424 3.114,425 1.256,426 2.55,427 1.618,428 3.598,429 2.115,430 1.174,431 1.502,433 2.845,434 1.066,435 2.401,436 1.353,437 3.407,438 1.993,439 1.005,440 1.354,442 2.306,443 0.986,444 19.862,445 0.497,446 1.124,447 0.028,448 46,449 1.15,450 20.5,451 0.513,452 25.5,453 0.638,454 45.381,455 1.135,456 43.738,457 0.591,458 40.548,459 1.014,460 8.96,461 0.224,462 10.174,463 0.254,464 0.198,466 0.337,472 0.633,473 1.381,474 0.639,475 0.974,476 0.521,477 0.955,478 0.764,479 0.961,480 0.809,481 0.844,482 0.543,483 0.831,484 1.009,485 1.114,486 1.008,487 1.099,488 1.071,489 1.084,490 1.132,491 1.046,492 0.908,493 1.006,494 1.283,495 0.968,496 0.788,497 1.054,498 0.75,499 0.948,500 0.856,501 0.886,502 1.199,503 0.928,504 0.893,505 0.901,506 1.25,507 0.873,508 1.55,509 1.049,510 1.081,511 1.081,512 1.803,513 1.026,514 1.176,515 1.002,516 1.005,517 1.015,518 1.43,519 0.98,520 8.5,521 0.369,522 5.111,523 3.264,524 2.304,525 1.813,526 1.17,527 0.859,528 0.558,529 0.471,530 25718,531 72063,532 2.007,533 45.9,535 28,536 1,538 1,539 2,541 2,542 1.804,543 1.846,544 3.769,545 -0.367,550 124.564,551 1.683,552 3.524,553 4.831,554 5.537,555 5.692,556 5.746,557 3.287,558 4.972,559 5.288,560 4.006,561 3124.88,562 9.363,563 55223.1,568 459.5,569 1.513,570 5.234,571 0.198,572 0.007,573 0.085,574 0.052,575 0.038,576 0.029,577 0.019,578 0.015,579 0.01,580 0.009,581 0.462,582 0.17,583 0.75,584 1.529,585 226.527,586 -0.019,587 -0.187,588 0.034,589 -0.026,590 -0.023,591 -0.006,592 0.028,593 0.217,594 0.043,595 0.148,596 0.037,597 0.114,598 -0.06,599 -0.051,600 -0.066,601 -0.074,602 -0.095,603 -0.107,604 -0.028,605 -0.041,606 0.103,607 0.025,608 -0.092,609 0.011,610 0.23,611 -0.035,612 0.124,613 0.025,614 0.218,615 0.078,616 -0.013,617 0.08,618 0.083,619 0.072,620 0.009,621 0.084,622 -0.141,623 -0.032,624 -0.086,625 -0.066,626 -0.108,627 -0.082,628 0.124,629 -0.029,630 0.034,631 0.004,632 0.094,633 -0.009,634 1.976,635 6.592,636 0.525,637 53.545,638 1.003,639 1.123,640 3.693,641 13.642,642 0.688,643 3.784,644 4.111,645 4.357,646 4.605,647 4.828,648 4.92,649 5.017,650 5.094,651 5.182,652 5.176,653 8.684,654 0.642,655 601.65,656 3.784,657 5.333,658 6.176,659 7.054,660 7.92,661 8.806,662 9.685,663 10.576,664 11.462,665 12.357,666 5.4,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 74,705 20,706 3,707 43,709 77,710 30,711 16,712 6,713 10,717 4,718 5,719 2,724 1,727 3,729 19,730 11,733 3,737 3,741 3,747 34,748 7,749 1,750 10,751 3,755 4,760 0.75,761 3,775 1,776 3,780 1,783 1,784 2,792 1,796 3,797 1,799 1,801 3,802 2,805 40,810 6,811 1,813 1,814 2,815 3,824 2,825 4.1,828 3,832 21.667,833 14.052,834 8.806,835 4.291,836 2.907,837 1.357,838 0.954,839 10.779,840 11.053,841 4.016,842 4.564,843 5.067,844 5.574,845 6.094,846 6.27,847 6.546,848 6.842,849 7.133,850 6.902,851 0.9,852 63,853 14.961,854 6.412,855 7.806,856 28.407,857 23.329,859 2.306,860 92.222,864 388.446,865 198.295,866 27.384,867 78.297,868 75.435,870 32.22,871 166.076,872 542.178,873 27.384,874 25.189,875 37.751,876 94.762,877 89.549,878 21.643,879 11.771,880 408.895,881 78.297,882 388.446,883 193.459,884 75.435,885 110.517,887 364.904,888 98.977,891 40.876,892 152.584,893 78.297,894 32.22,895 388.446,896 102.818,897 276.593,900 388.446,901 78.344,902 129.325,903 18.011,904 153.732,905 388.446,906 102.818,907 276.593,909 0.583,910 0.332,911 0.173,912 0.097,913 26,914 14,915 0.143,916 11,917 1,918 1.095,919 4.846,920 389.721,921 0.095,922 21,923 208.877,924 1,928 30.668,929 14.059,930 7.932,931 2.18,932 102.818,933 19.113,938 2.588,940 18.011,941 767.857,942 54.5,946 39.701,950 -0.645,952 74.251,953 83.073,954 0.271,955 0.567,956 0.778,957 0.892,958 0.917,959 0.925,960 5.269,961 2.059,962 6.172,963 5.99,964 4.796,965 5.252,966 3.928,967 6.984,968 4.691,969 6.46,970 1.793,971 7.738,972 5.269,973 4.443,974 5.085,975 2.929,976 7.906,977 4.253,978 7.759,979 1.618,980 9.404,981 5.154,982 6.392,983 7.376,984 6.086,985 11.016,986 6.198,987 9.089,988 1.603,989 11.13,990 4.499,991 6.836,992 8.019,993 5.249,994 12.788,995 6.563,996 10.452,997 1.354,998 12.895,999 3.795,1000 8.283,1001 9.84,1002 8.609,1003 15.434,1004 7.998,1005 11.838,1006 1.274,1007 14.688,1008 3.343,1009 9.099,1010 10.882,1011 7.918,1012 17.566,1013 8.741,1014 13.242,1015 1.174,1016 16.502,1017 3.114,1018 10.352,1019 12.509,1020 11.214,1021 20.055,1022 9.969,1023 3.269,1024 1.005,1025 18.332,1026 2.845,1027 11.345,1028 13.76,1029 10.721,1030 22.344,1031 10.893,1032 3.032,1033 11.465,1034 20.175,1035 2.306,1036 12.524,1037 15.3,1038 13.839,1039 24.779,1040 12.036,1041 2.805,1042 10.196,1043 22.029,1044 4.43,1045 13.601,1046 16.658,1047 13.532,1048 27.137,1049 13.048,1050 2.686,1051 9.048,1052 23.892,1053 3.947,1054 14.757,1055 18.159,1056 16.47,1057 29.557,1058 14.157,1059 2.389,1060 8.005,1061 25.762,1062 3.395,1063 15.875,1064 19.574,1065 16.323,1066 31.948,1067 15.212,1068 2.217,1069 6.906,1070 27.638,1071 3.039,1072 17.026,1073 21.058,1074 19.103,1075 34.366,1076 16.31,1077 2.174,1078 6.307,1079 29.519,1080 2.938,1081 18.164,1082 22.503,1083 19.094,1084 36.774,1085 17.386,1086 24908,1087 41984,1088 27.857,1089 50.932,1090 64.945,1091 69.403,1092 66.952,1093 64.478,1094 64.044,1095 79.843,1096 24.86,1097 183.647,1098 60.423,1099 5.474,1100 6.788,1101 6.566,1102 5.335,1103 5.269,1104 7.43,1105 7.434,1106 18.979,1107 5.029,1108 24.726,1109 1.51,1110 1.614,1111 1.557,1112 1.499,1113 1.489,1114 1.857,1115 0.578,1116 4.271,1117 1.405,1118 4.097,1119 4.119,1120 4.169,1121 4.056,1122 7.435,1123 4.051,1124 3.976,1125 3.997,1126 4.039,1127 3.928,1128 7.426,1129 3.907,1130 3.799,1131 3.851,1132 3.958,1133 3.678,1134 7.422,1135 3.665,1136 3.737,1137 3.781,1138 3.661,1139 3.565,1140 5.015,1141 3.564,1142 3.608,1143 3.673,1144 3.585,1145 3.432,1146 4.896,1147 3.43,1148 3.521,1149 3.579,1150 3.508,1151 3.348,1152 4.628,1153 3.361,1154 3.423,1155 3.474,1156 3.45,1157 3.235,1158 4.353,1159 3.242,1160 3.255,1161 3.326,1162 3.339,1163 3.082,1164 4.346,1165 3.071,1166 0.104,1167 0.111,1168 0.16,1169 0.098,1170 0.076,1171 4.493,1172 0.103,1173 4.788,1174 0.088,1175 6.877,1176 0.267,1177 4.193,1178 0.07,1179 3.269,1180 4.43,1181 3.784,1182 11.465,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.964,1193 1.98,1194 1.251,1195 1.982,1196 1.729,1197 1.664,1198 1.94,1199 1.937,1200 1.175,1201 1.951,1202 1.652,1203 1.615,1204 1.807,1205 1.854,1206 1.101,1207 1.846,1208 1.548,1209 1.488,1210 1.772,1211 1.8,1212 0.918,1213 1.795,1214 1.5,1215 1.456,1216 1.687,1217 1.655,1218 0.827,1219 1.663,1220 1.366,1221 1.29,1222 1.618,1223 1.588,1224 0.812,1225 1.609,1226 1.271,1227 1.221,1228 1.532,1229 1.465,1230 0.648,1231 1.49,1232 4.466,1233 5.79,1234 2.398,1235 7.295,1236 4.844,1237 8.888,1238 7.018,1239 10.532,1241 5.718,1242 12.639,1247 2.525,1248 2.972,1250 1.339,1251 -1.15,1252 5.243,1257 47.501,1258 124.564,1259 260.754,1260 357.486,1261 409.725,1262 421.235,1263 425.235,1264 117.597,1265 8.145,1266 72.96,1267 98.26,1268 23,1269 12.884,1270 4.392,1271 3.644,1272 72.967,1273 204,1274 224,1275 0.168,1276 303.728,1277 535.68,1278 732.857,1279 42967,1280 2.7,1281 28.811,1282 0.72,1283 0.631,1284 30.164,1285 25.23,1286 19.134,1287 0.445,1288 0.346,1289 13.147,1290 17.522,1291 12.566,1292 10.408,1293 20.12,1294 14.865,1295 17.575,1296 0.293,1297 0.206,1298 18.969,1299 12.332,1300 14.106,1301 0.183,1302 0.116,1303 15.56,1304 8.946,1305 11.354,1306 0.115,1307 0.069,1308 13.189,1309 6.788,1310 9.104,1311 0.073,1312 0.037,1313 10.419,1314 4.587,1315 0.266,1316 129.402,1317 0.189,1318 36.083,1319 0.455,1320 206,1321 599.742,1322 277.826,1323 659.21,1324 859.12,1325 612,1326 240,1327 543.424,1328 302.745,1329 587.026,1330 858.41,1331 548,1332 6.444}
{0 CHEMBL44262,1 1.611,2 15.8,3 1.716,4 2.945,5 155.41,6 7.49,7 0.386,8 4.406,9 4.526,10 4.007,11 3.953,12 5.453,13 3.915,14 4.983,15 5.158,16 4.372,17 4.369,18 5.992,19 4.294,20 5.254,21 5.464,22 4.437,23 4.528,24 6.224,25 4.416,26 5.31,27 5.536,28 4.407,29 4.526,30 6.28,31 4.395,32 5.319,33 5.559,34 4.44,35 4.461,36 6.455,37 4.35,38 5.268,39 5.506,40 4.297,41 4.39,42 6.324,43 4.288,44 5.226,45 5.454,46 4.316,47 4.338,48 6.387,49 4.257,50 5.137,51 5.337,52 4.326,53 4.339,54 6.369,55 4.241,56 0.03,57 1.118,58 16.152,59 7.136,60 9.421,61 9.205,62 0.446,63 1.864,64 34.715,65 12.125,66 38.929,67 15.828,68 0.64,69 2.245,70 47.941,71 16.735,72 70.11,73 21.635,74 0.54,75 2.328,76 53.326,77 18.103,78 74.319,79 23.567,80 0.87,81 2.283,82 53.914,83 17.23,84 132.583,85 23.411,86 0.582,87 2.126,88 49.336,89 16.005,90 87.927,91 21.304,92 0.799,93 2.024,94 47.707,95 14.425,96 111.056,97 18.678,98 0.766,99 1.914,100 43.748,101 14.691,102 128.575,103 18.304,104 10,105 59,106 0.248,107 0.556,108 0.756,109 0.849,110 0.868,111 0.876,112 3.717,113 1.001,114 -2.52,115 -2.55,116 -2.49,119 40,121 2,125 8,127 1,128 1,138 9,139 4,141 2,151 3,163 13,165 1,166 6,169 2,171 3,172 17,175 2,176 6,179 1,181 2,183 14,187 4,190 1,192 4,194 8,197 4,198 9,201 3,203 5,205 6,208 1,209 7,214 5,217 4,220 2,221 9,224 1,226 2,227 7,230 2,231 5,234 3,235 1,238 8,241 3,242 8,245 1,249 7,252 3860,253 27.534,254 27.534,255 27.534,256 27.534,257 27.534,258 25.106,259 28.818,260 16.791,261 28.175,262 21.781,263 21.781,264 21.781,265 21.781,266 21.781,267 18.064,268 33.945,269 8.042,270 22.76,271 4.618,272 2.616,273 1.317,274 0.713,275 0.587,276 0.533,277 4.424,283 1,284 1379,285 4.301,287 125.267,288 557.084,292 216.568,295 2.84,296 45.159,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 86.5,308 632,309 4.493,310 4.786,311 6.817,312 4.161,313 3.235,314 4.43,315 3.784,316 11.254,317 3.028,318 4.359,319 3.649,320 6.506,321 4.03,322 3.031,323 3.647,324 1.963,325 10.196,326 2.992,327 3.888,328 3.615,329 5.934,330 3.568,331 2.58,332 3.264,333 1.909,334 8.217,335 2.539,336 3.694,337 3.502,338 5.376,339 3.447,340 2.525,341 2.942,342 1.859,343 6.967,344 2.39,345 3.591,346 3.175,347 5.34,348 3.398,349 2.411,350 2.83,351 0.901,352 6.842,353 2.307,354 3.517,355 3.101,356 5.214,357 3.258,358 2.259,359 2.714,360 0.86,361 6.311,362 2.24,363 3.463,364 2.885,365 4.986,366 3.061,367 2.059,368 2.519,369 0.8,370 5.845,371 2.06,372 3.118,373 2.291,374 4.763,375 2.709,376 1.765,377 2.427,378 0.561,379 4.963,380 1.65,381 3.085,382 2.263,383 4.404,384 2.618,385 1.623,386 2.249,387 0.215,388 4.046,389 1.618,390 2.771,391 2.176,392 4.161,393 2.545,394 1.618,395 1.904,397 3.792,398 1.494,399 2.734,400 1.807,401 3.717,402 2.433,403 1.533,404 1.738,406 3.308,407 1.362,408 2.611,409 1.678,410 3.6,411 2.274,412 1.276,413 1.603,415 2.847,416 1.274,417 2.5,418 1.618,419 3.564,420 2.179,421 1.26,422 1.5,424 2.73,425 1.138,426 2.479,427 1.413,428 3.45,429 2.014,430 1.077,431 1.409,433 2.625,434 1.003,435 2.401,436 1.353,437 3.393,438 1.984,439 1.004,440 1.354,442 2.305,443 0.983,444 19.167,445 0.479,446 0.763,447 0.019,448 46.75,449 1.169,450 20.5,451 0.513,452 26.25,453 0.656,454 40.866,455 1.022,456 43.833,457 0.584,458 39.256,459 0.981,460 9.139,461 0.228,462 10.441,463 0.261,464 0.052,466 0.277,472 0.73,473 1.373,474 0.773,475 1.07,476 0.524,477 0.993,478 0.952,479 1.112,480 1.087,481 1.045,482 0.611,483 1.002,484 1.053,485 0.962,486 1.082,487 1.007,488 1.058,489 1.013,490 0.998,491 1.099,492 1.14,493 1.156,494 1.164,495 1.076,496 0.771,497 1.026,498 0.919,499 1.044,500 0.858,501 0.95,502 1.217,503 1.047,504 0.999,505 0.992,506 1.362,507 0.955,508 1.588,509 0.853,510 1.056,511 0.837,512 1.819,513 0.854,514 1.305,515 1.037,516 1.166,517 1.079,518 1.672,519 1.038,520 6,521 0.323,522 3.778,523 2.576,524 1.913,525 1.292,526 0.84,527 0.587,528 0.386,529 0.337,530 29603,531 74288,532 2.123,533 46.7,535 26,536 1,537 2,538 2,539 2,541 2,542 1.801,543 2.034,544 3.883,545 0.149,550 120.82,551 1.611,552 3.613,553 4.912,554 5.515,555 5.642,556 5.695,557 3.373,558 4.903,559 5.288,560 4.133,561 3223.68,562 9.344,563 58773.9,568 467.161,569 1.196,570 5.274,571 0.136,572 0.006,573 0.064,574 0.043,575 0.034,576 0.022,577 0.016,578 0.011,579 0.007,580 0.007,581 0.347,582 0.33,583 0.5,584 0.413,585 229.085,586 -0.031,587 -0.168,588 0.068,589 -0.024,590 -0.003,591 0.007,592 -0.023,593 0.046,594 -0.054,595 0.013,596 0.001,597 -0.029,598 -0.064,599 0.081,600 -0.045,601 0.032,602 -0.095,603 -0.024,604 -0.064,605 -0.088,606 -0.042,607 -0.083,608 -0.078,609 -0.069,610 0.25,611 -0.045,612 0.137,613 -0.034,614 0.256,615 0.038,616 -0.075,617 -0.079,618 0.008,619 -0.025,620 -0.047,621 0.014,622 -0.153,623 0.139,624 -0.011,625 0.108,626 -0.098,627 0.075,628 0.039,629 -0.021,630 -0.055,631 -0.031,632 0.046,633 -0.073,634 1.903,635 6.457,636 0.675,637 59.025,638 1.002,639 1.126,640 1.292,641 1.67,642 0.666,643 3.807,644 4.094,645 4.357,646 4.615,647 4.828,648 4.828,649 4.942,650 5.004,651 5.069,652 5.075,653 9.358,654 0.627,655 561.77,656 3.807,657 5.333,658 6.172,659 7.034,660 7.893,661 8.765,662 9.634,663 10.511,664 11.387,665 12.268,666 6.7,669 1,673 3,676 1,680 2,681 11,682 1,686 2,688 17,703 75,705 20,706 2,707 44,709 79,710 30,711 15,712 3,713 7,717 5,718 6,724 1,727 3,729 18,730 12,733 3,737 3,741 3,747 35,748 9,749 2,750 10,751 1,755 5,760 0.8,761 4,770 1,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 40,810 10,811 2,812 1,813 1,814 2,815 2,825 5.3,828 3,829 1,832 19.667,833 13.017,834 8.917,835 4.539,836 2.695,837 1.327,838 0.97,839 10.061,840 10.942,841 4.034,842 4.533,843 5.026,844 5.532,845 6.042,846 6.156,847 6.488,848 6.772,849 7.055,850 6.791,851 0.909,852 60,853 14.975,854 6.451,855 7.742,856 28.761,857 23.928,859 2.242,860 89.667,864 388.446,865 188.12,866 59.056,868 86.435,870 32.22,871 155.9,872 474.881,873 59.056,875 66.034,876 85.286,877 140.876,878 32.736,879 11.771,880 385.353,882 388.446,883 214.956,884 86.435,885 32.22,887 364.904,888 98.977,889 11,891 87.253,892 110.917,893 16.786,894 32.22,895 388.446,896 145.49,897 188.12,900 388.446,901 84.739,902 109.63,903 36.022,904 103.22,905 388.446,906 145.49,907 188.12,909 0.568,910 0.33,911 0.184,912 0.103,913 26,914 11,915 0.139,916 11,917 1,918 1.074,919 5.138,920 384.593,921 0.074,922 27,923 202.877,924 1,928 28.563,929 14.089,930 7.624,931 2.211,932 145.49,933 21.123,934 4.084,938 1.908,940 36.022,941 722.056,942 55.5,946 39.22,950 -0.59,952 75.149,953 84.477,954 0.259,955 0.58,956 0.789,957 0.885,958 0.906,959 0.914,960 5.264,961 1.765,962 6.125,963 5.845,964 4.779,965 5.22,966 3.944,967 6.901,968 4.698,969 6.414,970 1.623,971 7.655,972 4.963,973 4.205,974 4.856,975 2.909,976 7.74,977 4.114,978 7.686,979 1.618,980 9.291,981 4.046,982 6.326,983 7.282,984 6.086,985 10.876,986 6.171,987 8.991,988 1.533,989 10.994,990 3.792,991 6.635,992 7.809,993 5.238,994 12.63,995 6.455,996 10.334,997 1.276,998 12.743,999 3.308,1000 8.175,1001 9.705,1002 8.608,1003 15.271,1004 7.942,1005 11.704,1006 1.26,1007 14.525,1008 2.847,1009 8.916,1010 10.687,1011 7.914,1012 17.4,1013 8.642,1014 13.095,1015 1.077,1016 16.331,1017 2.73,1018 10.213,1019 12.356,1020 11.213,1021 19.878,1022 9.891,1023 3.235,1024 1.004,1025 18.155,1026 2.625,1027 11.168,1028 13.581,1029 10.72,1030 22.163,1031 10.796,1032 3.031,1033 11.254,1034 19.994,1035 2.305,1036 12.367,1037 15.146,1038 13.839,1039 24.588,1040 11.946,1041 2.58,1042 10.196,1043 21.845,1044 4.43,1045 13.425,1046 16.499,1047 13.531,1048 26.938,1049 12.951,1050 2.525,1051 8.217,1052 23.705,1053 3.647,1054 14.588,1055 18.016,1056 16.47,1057 29.346,1058 14.063,1059 2.411,1060 6.967,1061 25.573,1062 3.264,1063 15.696,1064 19.434,1065 16.323,1066 31.725,1067 15.116,1068 2.259,1069 6.842,1070 27.448,1071 2.942,1072 16.848,1073 20.932,1074 19.103,1075 34.129,1076 16.216,1077 2.059,1078 6.311,1079 29.327,1080 2.83,1081 17.98,1082 22.383,1083 19.094,1084 36.522,1085 17.291,1086 27541,1087 43824,1088 30.107,1089 49.915,1090 65.25,1091 69.37,1092 65.858,1093 64.773,1094 64.782,1095 80.224,1096 25.703,1097 178.409,1098 62.121,1099 5.493,1100 6.786,1101 6.619,1102 5.299,1103 5.235,1104 7.43,1105 7.434,1106 18.604,1107 5.028,1108 14.584,1109 1.483,1110 1.577,1111 1.497,1112 1.472,1113 1.472,1114 1.823,1115 0.584,1116 4.055,1117 1.412,1118 4.096,1119 4.119,1120 4.103,1121 4.056,1122 7.435,1123 4.05,1124 3.957,1125 3.99,1126 4.033,1127 3.872,1128 7.427,1129 3.853,1130 3.826,1131 3.889,1132 3.718,1133 3.629,1134 7.422,1135 3.638,1136 3.746,1137 3.787,1138 3.708,1139 3.605,1140 4.911,1141 3.603,1142 3.643,1143 3.697,1144 3.553,1145 3.436,1146 4.884,1147 3.447,1148 3.536,1149 3.591,1150 3.481,1151 3.402,1152 4.628,1153 3.399,1154 3.441,1155 3.489,1156 3.339,1157 3.265,1158 4.348,1159 3.275,1160 3.321,1161 3.367,1162 3.24,1163 3.143,1164 4.221,1165 3.139,1166 0.102,1167 0.109,1168 0.155,1169 0.095,1170 0.074,1171 4.493,1172 0.101,1173 4.786,1174 0.086,1175 6.817,1176 0.256,1177 4.161,1178 0.069,1179 3.235,1180 4.43,1181 3.784,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.852,1191 1.818,1192 1.987,1193 2.004,1194 1.299,1195 2.002,1196 1.765,1197 1.701,1198 1.952,1199 1.974,1200 1.139,1201 1.973,1202 1.659,1203 1.626,1204 1.826,1205 1.871,1206 1.104,1207 1.858,1208 1.584,1209 1.528,1210 1.795,1211 1.82,1212 1.077,1213 1.815,1214 1.506,1215 1.465,1216 1.692,1217 1.681,1218 0.838,1219 1.683,1220 1.423,1221 1.366,1222 1.632,1223 1.605,1224 0.825,1225 1.63,1226 1.27,1227 1.218,1228 1.513,1229 1.472,1230 0.815,1231 1.483,1232 4.489,1233 5.784,1234 2.398,1235 7.272,1236 4.844,1237 8.849,1238 7.018,1239 10.475,1247 5.995,1248 5.945,1249 5.377,1250 1.411,1251 -0.926,1252 3.908,1257 47.055,1258 120.82,1259 270.961,1260 368.367,1261 413.652,1262 423.161,1263 427.161,1264 93.763,1265 8.247,1266 103.87,1267 129.17,1268 29,1269 12.805,1270 4.392,1271 3.644,1272 63.856,1273 218,1274 252,1275 0.134,1276 290.46,1277 512.69,1278 700.482,1279 52705,1281 27.736,1282 0.693,1283 0.582,1284 28.089,1285 23.276,1286 19.581,1287 0.445,1288 0.334,1289 13.629,1290 18.395,1291 13.307,1292 10.897,1293 19.989,1294 14.686,1295 17.028,1296 0.289,1297 0.191,1298 17.643,1299 11.288,1300 14.216,1301 0.185,1302 0.113,1303 15.091,1304 8.725,1305 11.831,1306 0.118,1307 0.066,1308 12.847,1309 6.568,1310 9.787,1311 0.079,1312 0.037,1313 10.687,1314 4.6,1315 0.216,1316 126.856,1317 0.182,1318 36.597,1319 0.354,1320 206,1321 601.404,1322 251.359,1323 591.184,1324 790.92,1325 556,1326 239,1327 537.377,1328 283.878,1329 553.382,1330 812.36,1331 522,1332 4.469}
{0 CHEMBL44390,1 1.764,2 15.707,3 3.581,4 12.821,5 161.813,6 8.36,7 0.356,8 4.404,9 4.517,10 4.09,11 3.964,12 5.459,13 3.926,14 4.985,15 5.15,16 4.498,17 4.397,18 6.026,19 4.323,20 5.257,21 5.457,22 4.564,23 4.546,24 6.27,25 4.429,26 5.306,27 5.525,28 4.642,29 4.538,30 6.332,31 4.399,32 5.266,33 5.497,34 4.522,35 4.443,36 6.424,37 4.334,38 5.236,39 5.448,40 4.528,41 4.426,42 6.371,43 4.321,44 5.223,45 5.437,46 4.514,47 4.394,48 6.406,49 4.309,50 5.153,51 5.333,52 4.539,53 4.386,54 6.477,55 4.294,56 0.099,57 1.092,58 13.913,59 6.868,60 11.065,61 8.533,62 0.53,63 1.821,64 32.918,65 12.245,66 40.783,67 15.192,68 0.825,69 2.156,70 50.992,71 17.196,72 83.354,73 21.08,74 0.887,75 2.198,76 65.241,77 18.758,78 97.15,79 22.918,80 0.965,81 2.087,82 53.836,83 17.437,84 135.965,85 22.31,86 0.931,87 1.986,88 57.301,89 16.647,90 107.717,91 20.149,92 1.007,93 1.937,94 51.933,95 15.51,96 116.941,97 18.769,98 1.049,99 1.82,100 50.821,101 15.746,102 151.348,103 18.458,104 26,105 62,106 0.272,107 0.592,108 0.791,109 0.884,110 0.892,111 0.892,112 3.741,113 1.025,114 -3.32,115 -3.31,116 -3.17,119 39.2,121 2,125 8,127 1,128 1,138 7,139 3,140 2,147 1,148 1,151 3,163 7,165 1,166 4,169 2,171 6,172 14,175 2,176 4,179 1,181 4,183 8,187 7,190 1,192 4,194 9,197 3,198 7,201 3,203 3,205 3,208 1,209 9,213 1,214 3,217 7,220 1,221 8,224 1,226 4,227 5,230 1,231 8,234 3,235 1,236 4,238 6,241 2,242 7,247 1,249 7,252 4298,253 27.723,254 27.723,255 27.723,256 27.723,257 27.723,258 25.366,259 30.676,260 16.539,261 28.6,262 22.237,263 22.237,264 22.237,265 22.237,266 22.237,267 18.544,268 34.804,269 7.932,270 23.71,271 4.445,272 2.379,273 1.087,274 0.486,275 0.432,276 0.432,277 4.443,279 2,283 1,284 1403,285 4.416,287 256.207,288 450.94,291 216.321,295 2.759,296 52.794,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 89.167,308 644,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 4.365,315 3.784,316 11.459,317 3.009,318 4.424,319 3.669,320 6.204,321 3.927,322 2.941,323 3.947,324 1.963,325 9.256,326 2.898,327 4.109,328 3.615,329 6.193,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.622,336 3.736,337 3.513,338 5.512,339 3.461,340 2.525,341 3.074,342 1.859,343 7.14,344 2.418,345 3.637,346 3.259,347 5.34,348 3.433,349 2.468,350 2.853,351 0.901,352 6.965,353 2.319,354 3.557,355 3.004,356 5.278,357 3.315,358 2.328,359 2.812,360 0.86,361 6.707,362 2.279,363 3.516,364 2.979,365 5.132,366 3.185,367 2.227,368 2.698,369 0.8,370 6.215,371 2.156,372 3.472,373 2.885,374 4.978,375 3.049,376 2.104,377 2.519,378 0.561,379 5.834,380 1.878,381 3.034,382 2.649,383 4.802,384 2.649,385 1.747,386 2.301,387 0.215,388 5.043,389 1.55,390 2.979,391 2.505,392 4.587,393 2.523,394 1.614,395 2.088,397 4.403,398 1.515,399 2.741,400 2.176,401 4.365,402 2.518,403 1.534,404 1.756,406 4.21,407 1.435,408 2.613,409 1.819,410 3.999,411 2.409,412 1.527,413 1.646,415 3.308,416 1.272,417 2.599,418 1.68,419 3.715,420 2.179,421 1.261,422 1.604,424 3.125,425 1.138,426 2.56,427 1.678,428 3.483,429 2.114,430 1.174,431 1.514,433 2.705,434 1.076,435 2.311,436 1.534,437 3.454,438 2.077,439 1.123,440 1.295,442 2.492,443 1.054,444 20.095,445 0.49,446 0.976,447 0.024,448 45.75,449 1.116,450 18.5,451 0.451,452 27.25,453 0.665,454 46.111,455 1.125,456 45.305,457 0.612,458 38.505,459 0.939,460 8.816,461 0.215,462 11.052,463 0.27,464 0.121,466 0.314,472 0.719,473 1.374,474 0.629,475 0.961,476 0.524,477 0.923,478 0.879,479 1.151,480 0.845,481 0.962,482 0.575,483 0.945,484 1.052,485 1.007,486 1.003,487 0.996,488 1.053,489 1.021,490 0.968,491 1.054,492 0.934,493 1.057,494 1.149,495 1.02,496 0.748,497 1.014,498 0.744,499 0.948,500 0.859,501 0.875,502 1.17,503 1.029,504 0.983,505 1.016,506 1.366,507 0.983,508 1.351,509 0.862,510 0.928,511 0.839,512 1.607,513 0.843,514 1.14,515 1.095,516 1.121,517 1.159,518 1.487,519 1.051,520 8,521 0.354,522 4.222,523 2.896,524 2.308,525 1.529,526 1.005,527 0.826,528 0.501,529 0.394,530 31197,531 89345,532 2.09,533 44.6,535 24,536 2,538 3,539 2,541 2,542 1.808,543 1.968,544 3.889,545 0.789,550 130.543,551 1.764,552 3.831,553 5.123,554 5.723,555 5.777,556 5.777,557 3.403,558 4.949,559 5.321,560 4.138,561 3392.8,562 9.421,563 62735.2,568 459.5,569 1.363,570 5.294,571 0.178,572 0.007,573 0.068,574 0.047,575 0.04,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.415,582 0.33,583 0.63,584 0.501,585 236.067,586 -0.058,587 -0.149,588 0.031,589 -0.007,590 -0.014,591 0.015,592 -0.035,593 0.019,594 -0.016,595 0.038,596 0.021,597 -0.004,598 -0.096,599 0.039,600 -0.058,601 0.015,602 -0.102,603 -0.046,604 -0.027,605 -0.046,606 0.09,607 -0.005,608 -0.066,609 -0.021,610 0.202,611 -0.034,612 0.153,613 0.05,614 0.242,615 0.118,616 -0.048,617 -0.035,618 0.016,619 -0.023,620 -0.05,621 -0.015,622 -0.105,623 0.13,624 0.037,625 0.117,626 -0.08,627 0.101,628 0.117,629 -0.096,630 -0.035,631 -0.108,632 0.146,633 -0.081,634 1.979,635 6.52,636 0.634,637 63.02,638 1.011,639 1.127,640 2.091,641 4.372,642 0.684,643 3.829,644 4.143,645 4.394,646 4.654,647 4.844,648 4.905,649 5.011,650 5.094,651 5.112,652 5.147,653 9.394,654 0.645,655 618.64,656 3.829,657 5.371,658 6.213,659 7.084,660 7.946,661 8.824,662 9.696,663 10.58,664 11.46,665 12.348,666 6.8,669 1,673 3,674 1,680 2,681 8,683 1,686 4,688 16,702 2,703 74,705 19,706 2,707 45,709 78,710 29,711 14,712 6,713 6,717 5,718 6,719 2,724 1,727 3,729 17,730 12,733 3,737 3,741 3,747 33,748 8,749 3,750 12,751 3,755 5,760 0.8,761 4,772 1,775 2,776 3,779 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 41,810 10,811 2,812 1,813 1,814 2,815 2,824 2,825 5.4,828 3,829 1,832 20.833,833 12.852,834 9,835 4.428,836 2.449,837 1.296,838 0.975,839 10.647,840 10.735,841 4.043,842 4.572,843 5.057,844 5.564,845 6.006,846 6.211,847 6.473,848 6.775,849 6.655,850 6.732,851 0.909,852 61,853 15.351,854 6.689,855 7.81,856 29.23,857 24.456,859 2.31,860 94.722,864 353.133,865 166.692,866 59.056,867 78.297,868 86.435,870 32.22,871 134.473,872 517.865,873 59.056,875 66.034,876 75.381,877 100.549,878 35.855,879 25.686,880 361.81,881 78.297,882 353.133,883 193.528,884 86.435,885 110.517,887 329.591,888 98.977,889 11,891 85.944,892 107.585,893 78.297,894 32.22,895 353.133,896 145.49,897 244.989,900 353.133,901 91.311,902 81.63,903 52.807,904 164.732,905 353.133,906 145.49,907 244.989,909 0.579,910 0.332,911 0.179,912 0.098,913 28,914 13,915 0.141,916 11,917 1,918 1.077,919 5.17,920 399.994,921 0.077,922 26,923 215.66,924 1,928 30.357,929 14.38,930 8.047,931 2.095,932 128.705,933 14.882,935 3.151,938 2.529,940 52.807,941 743.613,942 56,946 39.294,950 -0.75,952 74.796,953 83.365,954 0.284,955 0.617,956 0.825,957 0.922,958 0.93,959 0.93,960 5.293,961 2.104,962 6.188,963 6.215,964 4.828,965 5.26,966 3.944,967 6.976,968 4.708,969 6.465,970 1.747,971 7.731,972 5.834,973 4.369,974 5.047,975 2.909,976 7.823,977 4.18,978 7.753,979 1.614,980 9.374,981 5.043,982 6.399,983 7.355,984 6.086,985 10.937,986 6.178,987 9.073,988 1.534,989 11.077,990 4.403,991 6.77,992 7.987,993 5.238,994 12.662,995 6.479,996 10.427,997 1.527,998 12.821,999 4.21,1000 8.255,1001 9.792,1002 8.608,1003 15.301,1004 7.928,1005 11.804,1006 1.261,1007 14.594,1008 3.308,1009 9.023,1010 10.829,1011 7.914,1012 17.412,1013 8.619,1014 13.199,1015 1.174,1016 16.39,1017 3.125,1018 10.29,1019 12.435,1020 11.213,1021 19.897,1022 9.843,1023 3.266,1024 1.123,1025 18.205,1026 2.705,1027 11.255,1028 13.676,1029 10.72,1030 22.182,1031 10.727,1032 2.941,1033 11.459,1034 20.035,1035 2.492,1036 12.439,1037 15.197,1038 13.839,1039 24.619,1040 11.856,1041 2.796,1042 9.256,1043 21.878,1044 4.365,1045 13.5,1046 16.543,1047 13.531,1048 26.982,1049 12.837,1050 2.525,1051 9.037,1052 23.732,1053 3.947,1054 14.656,1055 18.026,1056 16.47,1057 29.408,1058 13.929,1059 2.468,1060 7.14,1061 25.595,1062 3.387,1063 15.766,1064 19.426,1065 16.323,1066 31.806,1067 14.958,1068 2.328,1069 6.965,1070 27.466,1071 3.074,1072 16.917,1073 20.894,1074 19.103,1075 34.232,1076 16.038,1077 2.227,1078 6.707,1079 29.343,1080 2.853,1081 18.052,1082 22.323,1083 19.094,1084 36.648,1085 17.092,1086 29089,1087 49498,1088 30.224,1089 50.631,1090 67.411,1091 71.711,1092 68.36,1093 67.15,1094 66.76,1095 81.932,1096 25.703,1097 188.367,1098 62.435,1099 5.432,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.365,1105 7.434,1106 18.973,1107 5.009,1108 19.494,1109 1.498,1110 1.594,1111 1.519,1112 1.492,1113 1.484,1114 1.821,1115 0.571,1116 4.186,1117 1.387,1118 4.121,1119 4.156,1120 4.169,1121 4.037,1122 7.435,1123 4.041,1124 3.978,1125 4,1126 4.065,1127 3.928,1128 7.427,1129 3.907,1130 3.831,1131 3.891,1132 3.958,1133 3.678,1134 7.422,1135 3.666,1136 3.772,1137 3.8,1138 3.708,1139 3.616,1140 5.018,1141 3.619,1142 3.65,1143 3.706,1144 3.587,1145 3.432,1146 4.976,1147 3.452,1148 3.555,1149 3.612,1150 3.558,1151 3.386,1152 4.629,1153 3.386,1154 3.411,1155 3.463,1156 3.505,1157 3.238,1158 4.627,1159 3.244,1160 3.284,1161 3.32,1162 3.3,1163 3.098,1164 4.34,1165 3.097,1166 0.098,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.432,1172 0.097,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.19,1178 0.067,1179 3.266,1180 4.365,1181 3.784,1182 11.459,1183 3.009,1184 1.953,1185 1.929,1186 2.046,1187 2.039,1188 1.299,1189 2.043,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.217,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.175,1201 1.97,1202 1.652,1203 1.619,1204 1.825,1205 1.864,1206 1.103,1207 1.853,1208 1.582,1209 1.529,1210 1.78,1211 1.811,1212 1.086,1213 1.806,1214 1.484,1215 1.421,1216 1.66,1217 1.704,1218 0.869,1219 1.697,1220 1.439,1221 1.382,1222 1.642,1223 1.662,1224 0.825,1225 1.665,1226 1.298,1227 1.249,1228 1.513,1229 1.495,1230 0.729,1231 1.506,1232 4.511,1233 5.826,1234 3.045,1235 7.318,1236 5.416,1237 8.894,1238 7.516,1239 10.52,1242 12.616,1247 5.685,1248 5.86,1249 5.374,1250 1.328,1251 -1.159,1252 3.817,1257 47.71,1258 130.543,1259 283.476,1260 379.093,1261 423.5,1262 427.5,1263 427.5,1264 105.247,1265 8.286,1266 106.77,1267 132.07,1268 28,1269 12.88,1270 4.322,1271 3.585,1272 66.229,1273 220,1274 262,1275 0.136,1276 300.461,1277 528.45,1278 724.884,1279 53460,1280 2.7,1281 28.769,1282 0.702,1283 0.606,1284 30.123,1285 24.865,1286 19.868,1287 0.442,1288 0.342,1289 13.621,1290 18.09,1291 13.241,1292 10.788,1293 20.854,1294 15.375,1295 17.92,1296 0.289,1297 0.198,1298 19.314,1299 12.278,1300 14.721,1301 0.184,1302 0.116,1303 16.175,1304 9.258,1305 12.197,1306 0.117,1307 0.068,1308 14.032,1309 7.111,1310 9.598,1311 0.076,1312 0.038,1313 10.92,1314 4.827,1315 0.218,1316 134.887,1317 0.182,1318 37.285,1319 0.36,1320 214,1321 650.498,1322 290.731,1323 696.464,1324 909.56,1325 650,1326 249,1327 576.962,1328 315.846,1329 611.504,1330 900.11,1331 576,1332 6}
{0 CHEMBL44401,1 1.735,2 15.122,3 4.133,4 17.083,5 162.311,6 8.433,7 0.378,8 4.387,9 4.494,10 4.082,11 3.974,12 5.452,13 3.932,14 4.962,15 5.12,16 4.49,17 4.401,18 6.014,19 4.325,20 5.24,21 5.431,22 4.587,23 4.571,24 6.268,25 4.458,26 5.295,27 5.499,28 4.672,29 4.568,30 6.343,31 4.434,32 5.295,33 5.525,34 4.551,35 4.477,36 6.466,37 4.369,38 5.238,39 5.452,40 4.545,41 4.443,42 6.377,43 4.34,44 5.191,45 5.374,46 4.53,47 4.4,48 6.447,49 4.324,50 5.178,51 5.369,52 4.557,53 4.394,54 6.491,55 4.299,56 0.078,57 1.042,58 13.235,59 6.857,60 10.904,61 8.406,62 0.497,63 1.77,64 31.554,65 12.179,66 39.966,67 14.8,68 0.79,69 2.153,70 49.212,71 17.296,72 81.418,73 20.774,74 0.762,75 2.23,76 62.626,77 19.029,78 93.671,79 22.806,80 1.022,81 2.222,82 54.628,83 17.788,84 139.078,85 22.542,86 0.881,87 2.023,88 57.539,89 17.091,90 101.228,91 20.485,92 0.859,93 1.896,94 47.837,95 15.57,96 128.625,97 17.741,98 1.216,99 1.907,100 52.606,101 15.717,102 164.162,103 18.45,104 26,105 62,106 0.268,107 0.562,108 0.746,109 0.861,110 0.885,111 0.894,112 3.741,113 1.02,114 -4.18,115 -4.12,116 -3.89,119 41.1,121 1,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 13,165 1,166 3,169 2,171 2,172 23,175 2,176 4,179 2,181 2,183 16,187 6,192 4,194 14,197 4,198 5,201 3,203 5,205 5,208 1,209 10,212 1,214 4,217 8,221 9,226 4,227 5,230 3,231 11,234 2,235 1,236 3,238 6,241 1,242 9,247 1,249 6,252 4036,253 27.775,254 27.775,255 27.775,256 27.775,257 27.775,258 25.269,259 28.632,260 16.584,261 28.591,262 22.231,263 22.231,264 22.231,265 22.231,266 22.231,267 18.362,268 31.054,269 7.916,270 23.605,271 4.455,272 2.553,273 1.363,274 0.623,275 0.466,276 0.411,277 4.444,279 2,283 1,284 1348,285 4.301,287 126.736,288 565.907,292 221.234,295 2.527,296 51.894,299 0.75,300 0.67,301 0.67,302 0.9,303 0.5,304 0.83,305 1,306 0.76,307 88.667,308 620,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.616,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.708,337 3.514,338 5.511,339 3.467,340 2.533,341 2.947,342 1.859,343 7.126,344 2.41,345 3.611,346 3.259,347 5.342,348 3.41,349 2.442,350 2.839,351 0.901,352 6.966,353 2.31,354 3.509,355 3.104,356 5.22,357 3.264,358 2.277,359 2.813,360 0.86,361 6.315,362 2.23,363 3.502,364 3.001,365 5.13,366 3.103,367 2.174,368 2.697,369 0.8,370 6.21,371 2.064,372 3.448,373 2.885,374 4.981,375 3.028,376 2.046,377 2.509,378 0.561,379 5.811,380 1.877,381 3.118,382 2.649,383 4.804,384 2.634,385 1.739,386 2.427,387 0.215,388 5.043,389 1.618,390 2.979,391 2.29,392 4.588,393 2.618,394 1.618,395 2.088,397 4.401,398 1.512,399 2.771,400 2.176,401 4.161,402 2.449,403 1.577,404 1.904,406 3.792,407 1.349,408 2.734,409 1.816,410 3.999,411 2.391,412 1.505,413 1.747,415 3.214,416 1.279,417 2.563,418 1.68,419 3.672,420 2.274,421 1.275,422 1.547,424 3.124,425 1.266,426 2.552,427 1.618,428 3.598,429 2.116,430 1.176,431 1.518,433 2.846,434 1.067,435 2.402,436 1.522,437 3.427,438 1.997,439 1.033,440 1.357,442 2.33,443 0.99,444 20.195,445 0.493,446 0.959,447 0.023,448 47.25,449 1.152,450 20.5,451 0.5,452 26.75,453 0.652,454 45.152,455 1.101,456 44.605,457 0.611,458 40.46,459 0.987,460 9.213,461 0.225,462 10.672,463 0.26,464 0.12,466 0.312,472 0.684,473 1.309,474 0.62,475 0.939,476 0.521,477 0.907,478 0.873,479 1.094,480 0.847,481 0.94,482 0.584,483 0.929,484 1.039,485 0.933,486 0.996,487 0.962,488 1.057,489 0.989,490 0.954,491 1.183,492 0.94,493 1.119,494 1.145,495 1.071,496 0.771,497 1.004,498 0.759,499 0.92,500 0.856,501 0.873,502 1.124,503 0.939,504 0.945,505 0.961,506 1.272,507 0.917,508 1.548,509 1.075,510 0.99,511 0.979,512 1.998,513 0.964,514 1.139,515 0.994,516 1.086,517 1.027,518 1.446,519 0.963,520 7.5,521 0.36,522 4.444,523 3.076,524 2.215,525 1.706,526 0.971,527 0.768,528 0.543,529 0.429,530 30006,531 86159,532 2.09,533 43.8,535 27,536 1,538 2,539 2,542 1.809,543 1.968,544 3.827,545 0.161,550 126.65,551 1.735,552 3.637,553 4.827,554 5.566,555 5.724,556 5.779,557 3.321,558 5.162,559 5.324,560 4.07,561 3337.3,562 9.429,563 60781.8,568 451.857,569 1.363,570 5.294,571 0.167,572 0.006,573 0.072,574 0.048,575 0.037,576 0.028,577 0.017,578 0.013,579 0.01,580 0.008,581 0.405,582 0.33,583 0.75,584 0.501,585 234.818,586 -0.042,587 -0.129,588 0.032,589 -0.006,590 -0.015,591 0.014,592 -0.028,593 0.062,594 -0.02,595 0.048,596 0.012,598 -0.079,599 0.117,600 -0.055,601 0.043,602 -0.106,603 -0.022,604 -0.023,605 -0.166,606 0.073,607 -0.071,608 -0.068,609 -0.076,610 0.201,611 0.01,612 0.129,613 0.057,614 0.219,615 0.102,616 -0.016,617 0.061,618 0.054,619 0.027,620 -0.017,621 0.053,622 -0.172,623 -0.083,624 -0.03,625 -0.013,626 -0.152,627 -0.033,628 0.158,629 0.021,631 -0.006,632 0.145,633 -0.012,634 1.986,635 6.562,636 0.659,637 58.276,638 1.01,639 1.121,640 2.945,641 8.674,642 0.693,643 3.829,644 4.143,645 4.407,646 4.673,647 4.89,648 4.934,649 5.03,650 5.112,651 5.209,652 5.209,653 9.051,654 0.653,655 615.63,656 3.829,657 5.371,658 6.217,659 7.091,660 7.956,661 8.838,662 9.713,663 10.6,664 11.481,665 12.372,666 5.5,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 73,705 20,706 3,707 45,709 77,710 30,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 2,729 19,730 11,733 3,737 3,741 3,747 32,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 41,810 9,811 2,812 1,813 1,814 2,815 2,824 2,825 5.5,828 3,829 1,832 20.833,833 12.769,834 9.028,835 4.345,836 2.793,837 1.335,838 0.974,839 10.462,840 11.134,841 4.052,842 4.585,843 5.086,844 5.6,845 6.112,846 6.274,847 6.548,848 6.844,849 7.134,850 6.896,851 1,852 64,853 15.351,854 6.69,855 7.81,856 29.195,857 24.404,859 2.31,860 94.722,864 353.133,865 183.968,866 42.27,867 78.297,868 86.435,870 32.22,871 151.748,872 517.865,873 42.27,875 63.499,876 94.762,877 100.549,878 21.643,879 11.771,880 373.581,881 78.297,882 353.133,883 194.018,884 86.435,885 110.517,887 353.133,888 75.435,889 11,891 66.624,892 127.395,893 78.297,894 32.22,895 353.133,896 128.705,897 262.265,900 353.133,901 89.205,902 101.011,903 36.022,904 164.732,905 353.133,906 128.705,907 262.265,909 0.578,910 0.335,911 0.184,912 0.103,913 28,914 13,915 0.13,916 10,917 1,918 1.074,919 5.09,920 406.034,921 0.074,922 27,923 213.66,924 1,928 30.144,929 14.23,930 7.747,931 2.173,932 128.705,933 19.074,938 2.559,940 36.022,941 744.103,942 56.5,946 39.467,950 -0.764,952 73.694,953 81.867,954 0.28,955 0.588,956 0.78,957 0.899,958 0.925,959 0.934,960 5.3,961 2.046,962 6.192,963 6.21,964 4.828,965 5.273,966 3.944,967 6.991,968 4.716,969 6.473,970 1.739,971 7.742,972 5.811,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.763,979 1.618,980 9.394,981 5.043,982 6.405,983 7.379,984 6.086,985 10.998,986 6.203,987 9.085,988 1.577,989 11.108,990 4.401,991 6.781,992 7.996,993 5.238,994 12.76,995 6.514,996 10.442,997 1.505,998 12.864,999 3.792,1000 8.276,1001 9.833,1002 8.608,1003 15.409,1004 7.983,1005 11.823,1006 1.275,1007 14.651,1008 3.214,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.696,1014 13.224,1015 1.176,1016 16.461,1017 3.124,1018 10.331,1019 12.5,1020 11.213,1021 20.033,1022 9.939,1023 3.266,1024 1.033,1025 18.288,1026 2.846,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.849,1032 3.032,1033 11.459,1034 20.131,1035 2.33,1036 12.496,1037 15.292,1038 13.839,1039 24.762,1040 11.999,1041 2.796,1042 10.196,1043 21.984,1044 4.43,1045 13.566,1046 16.651,1047 13.531,1048 27.123,1049 13.005,1050 2.533,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.118,1059 2.442,1060 7.126,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.171,1068 2.277,1069 6.966,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.272,1077 2.174,1078 6.315,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.348,1086 28078,1087 47836,1088 30.224,1089 50.625,1090 67.247,1091 71.862,1092 68.717,1093 66.995,1094 66.634,1095 82.442,1096 25.703,1097 188.501,1098 62.61,1099 5.493,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 19.428,1109 1.494,1110 1.597,1111 1.527,1112 1.489,1113 1.481,1114 1.832,1115 0.571,1116 4.189,1117 1.391,1118 4.097,1119 4.119,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.975,1125 3.996,1126 4.039,1127 3.928,1128 7.427,1129 3.907,1130 3.824,1131 3.883,1132 3.958,1133 3.676,1134 7.422,1135 3.663,1136 3.766,1137 3.794,1138 3.704,1139 3.596,1140 5.015,1141 3.605,1142 3.622,1143 3.672,1144 3.585,1145 3.435,1146 4.896,1147 3.438,1148 3.516,1149 3.566,1150 3.535,1151 3.363,1152 4.629,1153 3.375,1154 3.419,1155 3.468,1156 3.472,1157 3.237,1158 4.627,1159 3.243,1160 3.254,1161 3.312,1162 3.339,1163 3.084,1164 4.348,1165 3.075,1166 0.1,1167 0.106,1168 0.153,1169 0.093,1170 0.073,1171 4.493,1172 0.098,1173 4.788,1174 0.084,1175 6.875,1176 0.255,1177 4.19,1178 0.067,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.896,1191 1.882,1192 1.967,1193 2,1194 1.262,1195 1.994,1196 1.749,1197 1.685,1198 1.943,1199 1.958,1200 1.176,1201 1.968,1202 1.657,1203 1.624,1204 1.806,1205 1.861,1206 1.102,1207 1.849,1208 1.557,1209 1.507,1210 1.752,1211 1.798,1212 0.982,1213 1.786,1214 1.499,1215 1.459,1216 1.684,1217 1.644,1218 0.85,1219 1.656,1220 1.356,1221 1.291,1222 1.593,1223 1.582,1224 0.825,1225 1.597,1226 1.27,1227 1.221,1228 1.513,1229 1.455,1230 0.824,1231 1.478,1232 4.511,1233 5.826,1234 2.398,1235 7.33,1236 4.844,1237 8.923,1238 7.018,1239 10.564,1242 12.629,1247 4.439,1248 5.891,1249 5.368,1250 1.327,1251 -1.173,1252 3.732,1257 47.689,1258 126.65,1259 265.47,1260 352.373,1261 406.347,1262 417.857,1263 421.857,1264 105.213,1265 8.341,1266 90.98,1267 116.28,1268 29,1269 12.903,1270 4.392,1271 3.644,1272 66.16,1273 216,1274 245,1275 0.141,1276 300.331,1277 532.11,1278 724.568,1279 56962,1280 2.7,1281 28.769,1282 0.702,1283 0.605,1284 30.123,1285 24.812,1286 19.885,1287 0.442,1288 0.34,1289 13.561,1290 18.177,1291 13.166,1292 10.725,1293 20.871,1294 15.297,1295 17.835,1296 0.288,1297 0.196,1298 19.23,1299 12.164,1300 14.759,1301 0.182,1302 0.115,1303 16.212,1304 9.283,1305 12.373,1306 0.117,1307 0.068,1308 14.208,1309 7.161,1310 10.007,1311 0.076,1312 0.037,1313 11.329,1314 4.907,1315 0.224,1316 134.534,1317 0.182,1318 37.024,1319 0.378,1320 214,1321 646.165,1322 289.01,1323 694.035,1324 907.12,1325 648,1326 250,1327 573.99,1328 315.042,1329 609.918,1330 898.81,1331 575,1332 5.456}
{0 CHEMBL44463,1 1.622,2 15.821,3 1.971,4 3.883,5 150.081,6 7.544,7 0.372,8 4.387,9 4.5,10 3.993,11 3.92,12 5.435,13 3.887,14 4.968,15 5.136,16 4.361,17 4.341,18 5.979,19 4.271,20 5.224,21 5.433,22 4.401,23 4.484,24 6.192,25 4.372,26 5.286,27 5.51,28 4.404,29 4.482,30 6.268,31 4.361,32 5.282,33 5.516,34 4.392,35 4.407,36 6.432,37 4.307,38 5.246,39 5.481,40 4.262,41 4.327,42 6.327,43 4.23,44 5.164,45 5.384,46 4.272,47 4.268,48 6.33,49 4.192,50 5.078,51 5.268,52 4.28,53 4.283,54 6.308,55 4.184,56 0.051,57 1.069,58 15.73,59 7.081,60 9.631,61 8.919,62 0.497,63 1.793,64 34.25,65 12.047,66 39.256,67 15.379,68 0.683,69 2.152,70 46.733,71 16.295,72 70.678,73 20.887,74 0.685,75 2.24,76 53.064,77 17.386,78 76.047,79 22.547,80 0.848,81 2.147,82 50.272,83 16.434,84 130.839,85 22.305,86 0.808,87 2.013,88 49.129,89 15.37,90 99.462,91 20.204,92 0.937,93 1.863,94 45.217,95 13.651,96 108.448,97 17.359,98 0.848,99 1.765,100 41.412,101 14.174,102 124.965,103 17.391,104 10,105 58,106 0.251,107 0.562,108 0.767,109 0.862,110 0.882,111 0.89,112 3.693,113 0.998,114 -2.4,115 -2.43,116 -2.39,119 39.7,121 2,125 8,127 1,128 1,138 8,139 4,147 2,151 3,163 12,165 1,166 6,169 2,171 3,172 16,175 2,176 4,179 1,181 2,183 13,186 1,187 5,190 1,192 4,194 8,197 3,198 7,201 3,203 5,205 5,208 2,209 7,214 4,217 4,220 2,221 7,224 2,226 1,227 7,230 2,231 5,234 3,235 1,238 7,241 2,242 9,249 6,252 3555,253 26.827,254 26.827,255 26.827,256 26.827,257 26.827,258 24.529,259 28.818,260 16.291,261 27.395,262 21.281,263 21.281,264 21.281,265 21.281,266 21.281,267 17.731,268 33.945,269 7.792,270 22.159,271 4.568,272 2.559,273 1.237,274 0.623,275 0.493,276 0.438,277 4.398,283 1,284 1349,285 4.301,287 237.744,288 406.678,292 210.812,295 2.893,296 45.927,299 0.75,300 0.5,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.71,307 85,308 617,309 4.493,310 4.786,311 6.817,312 4.163,313 3.236,314 4.43,315 3.784,316 11.254,317 3.028,318 4.363,319 3.65,320 6.506,321 4.03,322 3.031,323 3.668,324 1.963,325 10.196,326 2.995,327 3.903,328 3.615,329 5.937,330 3.581,331 2.59,332 3.274,333 1.909,334 8.225,335 2.558,336 3.695,337 3.503,338 5.378,339 3.448,340 2.525,341 2.942,342 1.859,343 6.967,344 2.395,345 3.591,346 3.176,347 5.34,348 3.402,349 2.415,350 2.83,351 0.901,352 6.847,353 2.308,354 3.517,355 3.101,356 5.214,357 3.259,358 2.26,359 2.713,360 0.86,361 6.311,362 2.242,363 3.463,364 2.885,365 4.986,366 3.061,367 2.059,368 2.519,369 0.8,370 5.847,371 2.06,372 3.118,373 2.292,374 4.766,375 2.7,376 1.747,377 2.427,378 0.561,379 4.972,380 1.651,381 2.991,382 2.28,383 4.414,384 2.618,385 1.618,386 2.072,387 0.215,388 4.05,389 1.618,390 2.771,391 2.176,392 4.161,393 2.532,394 1.601,395 1.904,397 3.792,398 1.487,399 2.707,400 1.807,401 3.717,402 2.403,403 1.499,404 1.701,406 3.308,407 1.33,408 2.611,409 1.678,410 3.599,411 2.274,412 1.276,413 1.6,415 2.847,416 1.273,417 2.403,418 1.618,419 3.501,420 2.179,421 1.26,422 1.36,424 2.711,425 1.138,426 2.327,427 1.353,428 3.395,429 1.995,430 1.005,431 1.297,433 2.306,434 0.992,435 2.272,436 1.256,437 3.348,438 1.952,439 1,440 1.15,442 2.136,443 0.946,444 18.6,445 0.477,446 0.763,447 0.02,448 44.25,449 1.135,450 18.5,451 0.474,452 25.75,453 0.66,454 40.099,455 1.028,456 43.2,457 0.592,458 36.955,459 0.948,460 8.701,461 0.223,462 10.38,463 0.266,464 0.054,466 0.285,472 0.754,473 1.371,474 0.765,475 1.086,476 0.525,477 0.996,478 0.974,479 1.105,480 1.083,481 1.04,482 0.616,483 0.995,484 0.986,485 0.992,486 1.085,487 1.024,488 1.054,489 1.032,490 0.939,491 1.083,492 1.117,493 1.144,494 1.162,495 1.052,496 0.751,497 1.068,498 0.848,499 1.031,500 0.867,501 0.966,502 1.216,503 0.999,504 1.011,505 0.952,506 1.36,507 0.93,508 1.465,509 0.823,510 1.06,511 0.827,512 1.748,513 0.849,514 1.153,515 1.053,516 1.164,517 1.101,518 1.573,519 1.059,520 6,521 0.315,522 3.778,523 2.417,524 1.882,525 1.226,526 0.819,527 0.553,528 0.373,529 0.319,530 28041,531 71466,532 2.126,533 46.6,535 25,536 3,538 2,539 2,541 2,542 1.794,543 2.035,544 3.877,545 0.162,550 118.392,551 1.622,552 3.63,553 4.953,554 5.566,555 5.697,556 5.751,557 3.37,558 4.958,559 5.251,560 4.131,561 3061.09,562 9.264,563 54947.3,568 451.857,569 1.211,570 5.237,571 0.14,572 0.006,573 0.065,574 0.042,575 0.034,576 0.022,577 0.016,578 0.011,579 0.008,580 0.007,581 0.351,582 0.33,583 0.63,584 0.42,585 222.065,586 -0.036,587 -0.164,588 0.07,589 -0.032,591 0.005,592 -0.043,593 0.053,594 -0.054,595 0.022,596 -0.002,597 -0.021,598 -0.063,599 0.06,600 -0.052,601 0.015,602 -0.097,603 -0.041,604 -0.03,605 -0.059,606 -0.018,607 -0.077,608 -0.074,609 -0.049,610 0.215,611 -0.092,612 0.137,613 -0.061,614 0.252,615 0.018,616 -0.048,617 -0.033,618 0.008,619 0.003,620 -0.03,621 0.029,622 -0.094,623 0.174,624 -0.008,625 0.122,626 -0.084,627 0.08,628 0.092,629 -0.039,630 -0.052,631 -0.035,632 0.064,633 -0.083,634 1.911,635 6.364,636 0.667,637 56.781,638 1.005,639 1.126,640 1.172,641 1.373,642 0.663,643 3.784,644 4.078,645 4.344,646 4.605,647 4.779,648 4.812,649 4.913,650 4.963,651 5.004,652 4.984,653 9.32,654 0.627,655 550.74,656 3.784,657 5.313,658 6.155,659 7.02,660 7.881,661 8.755,662 9.626,663 10.504,664 11.382,665 12.264,666 5.5,669 1,673 3,680 2,681 10,684 1,686 2,688 16,703 73,705 19,706 2,707 43,709 77,710 29,711 14,712 3,713 7,717 5,718 6,724 1,727 3,729 17,730 12,733 3,737 3,741 3,746 1,747 34,748 9,749 2,750 10,751 1,755 4,760 0.8,761 5,775 2,776 3,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,805 39,810 10,811 2,812 1,813 1,814 2,815 2,825 6.8,828 3,829 1,830 1,832 19.167,833 12.65,834 8.667,835 4.406,836 2.518,837 1.308,838 0.969,839 9.719,840 10.696,841 4.007,842 4.508,843 5.003,844 5.512,845 5.927,846 6.124,847 6.441,848 6.719,849 6.973,850 6.624,851 0.909,852 57,853 14.607,854 6.318,855 7.761,856 28.011,857 23.368,859 2.261,860 88.167,864 376.675,865 184.028,866 42.27,868 95.942,870 32.22,871 151.808,872 472.617,873 42.27,875 66.034,876 99.289,877 100.549,878 24.149,879 35.313,880 373.581,882 376.675,883 194.078,884 95.942,885 32.22,887 353.133,888 108.484,889 11,891 69.158,892 124.92,894 32.22,895 376.675,896 138.212,897 184.028,900 376.675,901 84.739,902 105.538,903 36.022,904 95.942,905 376.675,906 138.212,907 184.028,909 0.57,910 0.332,911 0.185,912 0.099,913 26,914 11,915 0.143,916 11,917 1,918 1.077,919 5.078,920 371.344,921 0.077,922 26,923 200.131,924 1,928 27.875,929 13.597,930 7.296,931 2.206,932 138.212,933 18.979,936 5.247,938 1.821,940 36.022,941 698.915,942 54,946 38.995,950 -0.621,952 73.374,953 82.188,954 0.262,955 0.587,956 0.8,957 0.899,958 0.92,959 0.929,960 5.242,961 1.747,962 6.111,963 5.847,964 4.762,965 5.196,966 3.944,967 6.893,968 4.687,969 6.394,970 1.618,971 7.645,972 4.972,973 4.205,974 4.856,975 2.909,976 7.74,977 4.114,978 7.668,979 1.601,980 9.285,981 4.05,982 6.315,983 7.261,984 6.086,985 10.874,986 6.168,987 8.977,988 1.499,989 10.99,990 3.792,991 6.648,992 7.839,993 5.238,994 12.633,995 6.471,996 10.324,997 1.276,998 12.741,999 3.308,1000 8.169,1001 9.689,1002 8.608,1003 15.271,1004 7.943,1005 11.698,1006 1.26,1007 14.524,1008 2.847,1009 8.927,1010 10.717,1011 7.914,1012 17.401,1013 8.658,1014 13.092,1015 1.005,1016 16.331,1017 2.711,1018 10.212,1019 12.346,1020 11.213,1021 19.879,1022 9.897,1023 3.236,1024 1,1025 18.156,1026 2.306,1027 11.177,1028 13.604,1029 10.72,1030 22.164,1031 10.81,1032 3.031,1033 11.254,1034 19.995,1035 2.136,1036 12.369,1037 15.143,1038 13.839,1039 24.589,1040 11.955,1041 2.59,1042 10.196,1043 21.846,1044 4.43,1045 13.432,1046 16.515,1047 13.531,1048 26.939,1049 12.964,1050 2.525,1051 8.225,1052 23.706,1053 3.668,1054 14.592,1055 18.017,1056 16.47,1057 29.347,1058 14.074,1059 2.415,1060 6.967,1061 25.574,1062 3.274,1063 15.702,1064 19.445,1065 16.323,1066 31.726,1067 15.128,1068 2.26,1069 6.847,1070 27.449,1071 2.942,1072 16.854,1073 20.934,1074 19.103,1075 34.13,1076 16.227,1077 2.059,1078 6.311,1079 29.328,1080 2.83,1081 17.987,1082 22.391,1083 19.094,1084 36.523,1085 17.303,1086 26038,1087 41776,1088 29.413,1089 48.364,1090 64.038,1091 67.637,1092 64.326,1093 63.41,1094 63.397,1095 78.136,1096 25.703,1097 175.628,1098 61.006,1099 5.493,1100 6.786,1101 6.619,1102 5.306,1103 5.236,1104 7.43,1105 7.434,1106 18.609,1107 5.028,1108 14.369,1109 1.489,1110 1.573,1111 1.496,1112 1.475,1113 1.474,1114 1.817,1115 0.598,1116 4.084,1117 1.419,1118 4.097,1119 4.119,1120 4.108,1121 4.055,1122 7.435,1123 4.05,1124 3.968,1125 3.988,1126 4.034,1127 3.861,1128 7.427,1129 3.848,1130 3.828,1131 3.889,1132 3.732,1133 3.623,1134 7.422,1135 3.635,1136 3.749,1137 3.772,1138 3.708,1139 3.585,1140 5.087,1141 3.591,1142 3.642,1143 3.697,1144 3.553,1145 3.435,1146 4.897,1147 3.446,1148 3.534,1149 3.586,1150 3.479,1151 3.402,1152 4.628,1153 3.399,1154 3.44,1155 3.487,1156 3.337,1157 3.26,1158 4.348,1159 3.271,1160 3.319,1161 3.365,1162 3.24,1163 3.142,1164 4.218,1165 3.138,1166 0.104,1167 0.111,1168 0.159,1169 0.097,1170 0.075,1171 4.493,1172 0.103,1173 4.786,1174 0.088,1175 6.817,1176 0.262,1177 4.163,1178 0.07,1179 3.236,1180 4.43,1181 3.784,1182 11.254,1183 3.028,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.767,1191 1.703,1192 1.986,1193 2.002,1194 1.298,1195 2.001,1196 1.667,1197 1.626,1198 1.835,1199 1.896,1200 1.117,1201 1.874,1202 1.647,1203 1.622,1204 1.795,1205 1.825,1206 1.1,1207 1.823,1208 1.549,1209 1.495,1210 1.738,1211 1.734,1212 1.034,1213 1.746,1214 1.506,1215 1.464,1216 1.683,1217 1.627,1218 0.829,1219 1.655,1220 1.373,1221 1.324,1222 1.579,1223 1.574,1224 0.825,1225 1.573,1226 1.27,1227 1.244,1228 1.513,1229 1.556,1230 0.746,1231 1.518,1232 4.466,1233 5.765,1234 3.045,1235 7.249,1236 5.352,1237 8.822,1238 7.413,1239 10.447,1247 5.961,1248 5.914,1249 5.369,1250 1.383,1251 -0.96,1252 3.872,1257 45.749,1258 118.392,1259 265.021,1260 361.593,1261 406.347,1262 415.857,1263 419.857,1264 91.326,1265 8.179,1266 104.12,1267 129.42,1268 28,1269 12.8,1270 4.322,1271 3.585,1272 61.514,1273 213,1274 242,1275 0.133,1276 280.997,1277 495.82,1278 677.392,1279 48765,1281 27.029,1282 0.693,1283 0.581,1284 27.382,1285 22.66,1286 19.081,1287 0.444,1288 0.333,1289 13.235,1290 17.832,1291 12.934,1292 10.576,1293 19.489,1294 14.307,1295 16.674,1296 0.287,1297 0.191,1298 17.29,1299 11.064,1300 13.966,1301 0.184,1302 0.113,1303 14.841,1304 8.562,1305 11.654,1306 0.118,1307 0.065,1308 12.671,1309 6.432,1310 9.174,1311 0.078,1312 0.037,1313 10.075,1314 4.399,1315 0.215,1316 124.356,1317 0.184,1318 35.925,1319 0.349,1320 202,1321 611.494,1322 248.85,1323 593.395,1324 791.76,1325 558,1326 235,1327 537.719,1328 281.535,1329 551.162,1330 809.72,1331 519,1332 4}
{0 CHEMBL44472,1 1.536,2 15.762,3 3.839,4 14.739,5 167.65,6 7.181,7 0.37,8 4.481,9 4.603,10 4.044,11 4.039,12 5.495,13 3.988,14 5.065,15 5.247,16 4.421,17 4.459,18 6.036,19 4.374,20 5.329,21 5.534,22 4.504,23 4.632,24 6.287,25 4.513,26 5.428,27 5.658,28 4.498,29 4.651,30 6.367,31 4.507,32 5.44,33 5.684,34 4.5,35 4.597,36 6.518,37 4.463,38 5.389,39 5.632,40 4.398,41 4.532,42 6.397,43 4.411,44 5.369,45 5.601,46 4.413,47 4.497,48 6.475,49 4.396,50 5.296,51 5.498,52 4.426,53 4.494,54 6.485,55 4.388,56 0.039,57 1.182,58 18.552,59 8.106,60 9.901,61 10.656,62 0.445,63 1.99,64 38.758,65 13.835,66 37.925,67 18.42,68 0.599,69 2.434,70 51.596,71 18.615,72 65.683,73 24.378,74 0.525,75 2.62,76 59.305,77 20.684,78 75.008,79 27.418,80 0.88,81 2.593,82 62.52,83 20.385,84 133.546,85 27.349,86 0.56,87 2.414,88 55.842,89 18.805,90 85.318,91 25.208,92 0.779,93 2.344,94 57.302,95 17.792,96 109.861,97 22.922,98 0.73,99 2.22,100 51.082,101 17.429,102 131.072,103 22.19,104 26,105 63,106 0.233,107 0.522,108 0.741,109 0.841,110 0.878,111 0.886,112 3.765,113 1.022,114 -3.82,115 -3.78,116 -3.6,119 40.2,120 2,121 2,125 8,127 1,128 1,138 10,139 6,151 3,163 19,165 1,166 4,169 2,171 3,172 26,175 2,176 5,179 1,181 2,183 21,187 7,190 1,192 4,194 14,197 3,198 9,201 3,203 5,205 7,208 1,209 11,214 5,217 8,220 1,221 12,224 1,226 5,227 8,230 1,231 10,234 2,235 1,236 4,238 9,241 2,242 10,247 2,249 10,252 4460,253 28.482,254 28.482,255 28.482,256 28.482,257 28.482,258 25.976,259 32.101,260 17.084,261 29.049,262 22.731,263 22.731,264 22.731,265 22.731,266 22.731,267 18.862,268 37.301,269 8.163,270 23.608,271 4.821,272 2.909,273 1.46,274 0.802,275 0.555,276 0.506,277 4.468,283 1,284 1437,285 4.416,287 131.506,288 587.815,292 229.217,295 2.751,296 44.622,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 90,308 662,309 4.493,310 4.787,311 6.875,312 4.199,313 3.266,314 4.43,315 3.784,316 11.459,317 3.055,318 4.432,319 3.66,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.027,327 4.109,328 3.615,329 6.204,330 3.787,331 2.796,332 3.387,333 1.909,334 9.037,335 2.76,336 3.706,337 3.509,338 5.511,339 3.456,340 2.525,341 2.947,342 1.859,343 7.123,344 2.42,345 3.604,346 3.209,347 5.34,348 3.427,349 2.45,350 2.839,351 0.901,352 6.965,353 2.314,354 3.517,355 3.102,356 5.22,357 3.283,358 2.288,359 2.812,360 0.86,361 6.316,362 2.257,363 3.508,364 2.885,365 5.132,366 3.166,367 2.174,368 2.695,369 0.8,370 6.215,371 2.152,372 3.45,373 2.776,374 4.983,375 3.053,376 2.047,377 2.519,378 0.561,379 5.815,380 2.054,381 3.118,382 2.29,383 4.805,384 2.708,385 1.747,386 2.427,387 0.215,388 5.047,389 1.669,390 2.979,391 2.244,392 4.589,393 2.618,394 1.618,395 2.088,397 4.404,398 1.618,399 2.771,400 2.176,401 4.162,402 2.55,403 1.614,404 1.904,406 3.792,407 1.505,408 2.74,409 1.81,410 3.999,411 2.443,412 1.528,413 1.755,415 3.309,416 1.387,417 2.611,418 1.678,419 3.715,420 2.275,421 1.276,422 1.605,424 3.125,425 1.274,426 2.563,427 1.618,428 3.599,429 2.179,430 1.26,431 1.518,433 2.847,434 1.139,435 2.402,436 1.524,437 3.478,438 2.128,439 1.174,440 1.358,442 2.704,443 1.091,444 20.267,445 0.483,446 0.959,447 0.023,448 47.25,449 1.125,450 20.5,451 0.488,452 26.75,453 0.637,454 47.515,455 1.131,456 46.333,457 0.565,458 40.482,459 0.964,460 9.155,461 0.218,462 11.23,463 0.267,464 0.099,466 0.311,472 0.721,473 1.326,474 0.809,475 1.073,476 0.541,477 1.015,478 0.912,479 1.066,480 1.041,481 1.007,482 0.587,483 0.963,484 1.055,485 1.02,486 1.1,487 1.049,488 1.07,489 1.053,490 0.976,491 1.121,492 1.098,493 1.13,494 1.129,495 1.073,496 0.807,497 1.057,498 1.066,499 1.101,500 0.843,501 0.973,502 1.172,503 1.042,504 0.999,505 0.998,506 1.289,507 0.955,508 1.654,509 0.889,510 1.176,511 0.929,512 1.887,513 0.874,514 1.434,515 1.109,516 1.165,517 1.102,518 1.803,519 1.064,520 7.5,521 0.373,522 4.444,523 3.076,524 2.295,525 1.595,526 1.011,527 0.808,528 0.501,529 0.417,530 32589,531 76506,532 2.088,533 48.8,534 6,535 27,536 1,538 2,539 2,541 2,542 1.814,543 1.969,544 3.88,545 0.102,550 125.977,551 1.536,552 3.448,553 4.897,554 5.555,555 5.803,556 5.851,557 3.378,558 5.202,559 5.357,560 4.133,561 3558.59,562 9.495,563 66632.5,568 521.319,569 1.351,570 5.33,571 0.163,572 0.007,573 0.071,574 0.047,575 0.038,576 0.026,577 0.017,578 0.014,579 0.009,580 0.008,581 0.398,582 0.33,583 0.63,584 0.494,585 243.066,586 -0.018,587 -0.121,588 0.068,589 -0.007,590 -0.017,591 0.015,592 0.022,593 0.085,594 0.007,595 0.058,596 0.021,597 0.031,598 -0.049,599 0.048,600 -0.063,601 -0.004,602 -0.097,603 -0.059,604 -0.043,605 -0.095,606 -0.015,607 -0.071,608 -0.064,609 -0.071,610 0.221,611 -0.043,612 0.067,613 -0.048,614 0.24,615 0.016,616 -0.041,617 -0.052,618 0.029,619 -0.014,620 -0.012,621 0.016,622 -0.162,623 0.124,624 -0.04,625 0.074,626 -0.104,627 0.068,628 -0.008,629 -0.089,630 -0.07,631 -0.071,632 0.028,633 -0.098,634 1.891,635 6.651,636 0.643,637 63.075,638 0.996,639 1.125,640 2.595,641 6.732,642 0.661,643 3.85,644 4.159,645 4.419,646 4.682,647 4.898,648 4.934,649 5.037,650 5.112,651 5.198,652 5.193,653 9.412,654 0.617,655 588.84,656 3.85,657 5.389,658 6.232,659 7.104,660 7.967,661 8.847,662 9.72,663 10.606,664 11.486,665 12.375,666 4.9,669 1,673 3,680 2,681 10,686 4,688 17,703 82,705 20,706 3,707 46,709 86,710 33,711 16,712 6,713 10,717 5,718 6,721 2,724 1,727 3,729 19,730 14,733 3,737 3,741 3,747 40,748 8,749 2,750 9,751 1,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,801 2,805 42,810 10,811 2,812 1,813 1,814 2,815 2,825 4.9,828 3,829 1,832 21.333,833 14.983,834 9.278,835 5.024,836 2.774,837 1.331,838 0.967,839 10.565,840 11.147,841 4.069,842 4.595,843 5.092,844 5.604,845 6.114,846 6.272,847 6.549,848 6.844,849 7.132,850 6.892,851 0.909,852 65,853 15.747,854 6.763,855 7.69,856 30.44,857 25.402,859 2.19,860 92,864 447.302,865 203.523,866 42.27,868 86.435,870 32.22,871 171.303,872 533.737,873 42.27,874 17.65,875 66.034,876 94.762,877 100.549,878 21.013,879 11.771,880 467.75,882 447.302,883 213.573,884 86.435,885 32.22,887 423.76,888 98.977,889 11,891 86.809,892 126.765,894 32.22,895 447.302,896 128.705,897 203.523,900 447.302,901 91.11,902 118.662,903 36.022,904 86.435,905 447.302,906 128.705,907 203.523,909 0.576,910 0.333,911 0.183,912 0.102,913 28,914 13,915 0.128,916 11,917 1,918 1.074,919 5.199,920 415.688,921 0.074,922 27,923 218.477,924 1,928 30.558,929 14.521,930 7.943,931 2.223,932 128.705,933 20.29,938 4.237,940 36.022,941 779.529,942 57.5,946 39.687,950 -0.53,952 81.698,953 92.224,954 0.242,955 0.542,956 0.77,957 0.874,958 0.913,959 0.92,960 5.314,961 2.047,962 6.205,963 6.215,964 4.844,965 5.283,966 3.944,967 6.999,968 4.775,969 6.484,970 1.747,971 7.751,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.293,978 7.771,979 1.618,980 9.4,981 5.047,982 6.415,983 7.382,984 6.086,985 11,986 6.283,987 9.091,988 1.614,989 11.112,990 4.404,991 6.781,992 7.996,993 5.238,994 12.76,995 6.628,996 10.446,997 1.528,998 12.867,999 3.792,1000 8.281,1001 9.834,1002 8.608,1003 15.409,1004 8.081,1005 11.826,1006 1.276,1007 14.653,1008 3.309,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.819,1014 13.226,1015 1.26,1016 16.462,1017 3.125,1018 10.333,1019 12.501,1020 11.213,1021 20.033,1022 10.055,1023 3.266,1024 1.174,1025 18.289,1026 2.847,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.983,1032 3.032,1033 11.459,1034 20.131,1035 2.704,1036 12.497,1037 15.292,1038 13.839,1039 24.762,1040 12.131,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.149,1050 2.525,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.265,1059 2.45,1060 7.123,1061 25.719,1062 3.387,1063 15.842,1064 19.57,1065 16.323,1066 31.937,1067 15.327,1068 2.288,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.431,1077 2.174,1078 6.316,1079 29.48,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.514,1086 30514,1087 46949,1088 30.917,1089 54.194,1090 68.47,1091 72.996,1092 69.911,1093 67.991,1094 68.013,1095 83.823,1096 25.703,1097 191.3,1098 65.631,1099 5.493,1100 6.787,1101 6.677,1102 5.339,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.055,1108 19.779,1109 1.488,1110 1.587,1111 1.52,1112 1.478,1113 1.479,1114 1.822,1115 0.559,1116 4.159,1117 1.427,1118 4.099,1119 4.122,1120 4.113,1121 4.058,1122 7.435,1123 4.052,1124 3.997,1125 4.023,1126 4.033,1127 3.946,1128 7.427,1129 3.93,1130 3.834,1131 3.895,1132 3.798,1133 3.689,1134 7.422,1135 3.675,1136 3.785,1137 3.82,1138 3.708,1139 3.617,1140 4.899,1141 3.621,1142 3.643,1143 3.697,1144 3.554,1145 3.44,1146 4.73,1147 3.449,1148 3.544,1149 3.599,1150 3.487,1151 3.402,1152 4.626,1153 3.401,1154 3.444,1155 3.491,1156 3.341,1157 3.283,1158 4.348,1159 3.289,1160 3.328,1161 3.377,1162 3.241,1163 3.155,1164 4.214,1165 3.149,1166 0.098,1167 0.104,1168 0.149,1169 0.091,1170 0.071,1171 4.493,1172 0.096,1173 4.787,1174 0.082,1175 6.875,1176 0.249,1177 4.199,1178 0.066,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.055,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.325,1189 2.147,1190 1.953,1191 1.929,1192 2.065,1193 2.029,1194 1.299,1195 2.043,1196 1.766,1197 1.701,1198 1.986,1199 2,1200 1.252,1201 2,1202 1.66,1203 1.626,1204 1.829,1205 1.879,1206 1.109,1207 1.863,1208 1.591,1209 1.537,1210 1.795,1211 1.821,1212 1.093,1213 1.817,1214 1.506,1215 1.465,1216 1.696,1217 1.69,1218 0.919,1219 1.694,1220 1.451,1221 1.394,1222 1.661,1223 1.609,1224 0.827,1225 1.638,1226 1.313,1227 1.253,1228 1.62,1229 1.51,1230 0.825,1231 1.555,1232 4.533,1233 5.844,1234 2.398,1235 7.343,1236 4.844,1237 8.932,1238 7.018,1239 10.571,1241 4.066,1247 6.069,1248 6.01,1249 5.396,1250 1.459,1251 -0.884,1252 3.977,1257 50.614,1258 125.977,1259 282.765,1260 401.571,1261 455.545,1262 475.809,1263 479.809,1264 102.419,1265 8.373,1266 90.98,1267 116.28,1268 29,1269 12.907,1270 4.392,1271 3.644,1272 68.709,1273 228,1274 272,1275 0.137,1276 312.442,1277 553.59,1278 754.12,1279 60113,1281 29.476,1282 0.702,1283 0.601,1284 29.83,1285 25.251,1286 20.385,1287 0.443,1288 0.341,1289 14.623,1290 19.277,1291 14.144,1292 11.652,1293 20.793,1294 15.663,1295 18.189,1296 0.289,1297 0.196,1298 18.805,1299 12.368,1300 15.009,1301 0.183,1302 0.115,1303 15.868,1304 9.407,1305 12.543,1306 0.117,1307 0.067,1308 13.609,1309 7.222,1310 10.173,1311 0.076,1312 0.038,1313 11.074,1314 5.003,1315 0.219,1316 131.183,1317 0.18,1318 37.887,1319 0.365,1320 218,1321 597.759,1322 261.971,1323 591.577,1324 795.16,1325 556,1326 254,1327 544.265,1328 297.545,1329 564.161,1330 828.85,1331 531,1332 4.959}
{0 CHEMBL44498,1 1.695,2 16.605,3 4.776,4 22.805,5 171.821,6 8.148,7 0.362,8 4.456,9 4.567,10 4.121,11 4.038,12 5.496,13 3.99,14 5.038,15 5.204,16 4.52,17 4.464,18 6.058,19 4.38,20 5.325,21 5.528,22 4.615,23 4.632,24 6.313,25 4.51,26 5.376,27 5.593,28 4.696,29 4.63,30 6.387,31 4.488,32 5.37,33 5.605,34 4.576,35 4.553,36 6.495,37 4.434,38 5.33,39 5.55,40 4.565,41 4.521,42 6.419,43 4.403,44 5.308,45 5.523,46 4.547,47 4.468,48 6.48,49 4.373,50 5.244,51 5.45,52 4.573,53 4.464,54 6.487,55 4.356,56 0.056,57 1.121,58 15.337,59 7.574,60 9.648,61 9.532,62 0.472,63 1.9,64 35.415,65 13.419,66 40.312,67 16.846,68 0.747,69 2.318,70 54.858,71 18.952,72 80.591,73 23.546,74 0.76,75 2.4,76 68.372,77 20.49,78 92.142,79 25.315,80 0.967,81 2.369,82 58.89,83 19.411,84 137.748,85 25.07,86 0.769,87 2.19,88 62.436,89 19.049,90 104.084,91 23.5,92 0.936,93 2.126,94 56.3,95 17.247,96 126.59,97 21.026,98 1.103,99 2.026,100 56.56,101 17.199,102 147.462,103 20.815,104 26,105 64,106 0.258,107 0.552,108 0.749,109 0.857,110 0.887,111 0.895,112 3.787,113 1.04,114 -4.54,115 -4.47,116 -4.21,119 40.5,121 3,125 8,127 1,128 1,138 10,139 4,140 2,151 3,163 14,165 1,166 4,169 2,171 3,172 23,175 2,176 5,179 1,181 3,183 16,187 7,192 4,194 14,197 3,198 8,201 4,203 5,205 5,209 12,214 4,217 8,220 1,221 10,226 4,227 7,230 2,231 10,234 3,235 1,236 3,238 10,242 7,247 1,249 11,252 4901,253 29.189,254 29.189,255 29.189,256 29.189,257 29.189,258 26.683,259 30.676,260 17.584,261 30.003,262 23.231,263 23.231,264 23.231,265 23.231,266 23.231,267 19.362,268 32.304,269 8.413,270 24.605,271 4.609,272 2.683,273 1.386,274 0.677,275 0.481,276 0.43,277 4.49,279 2,283 1,284 1548,285 4.528,287 136.272,288 609.656,292 237.266,295 2.833,296 52.576,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 92.667,308 714,309 4.493,310 4.788,311 6.875,312 4.19,313 3.266,314 4.43,315 3.784,316 11.459,317 3.029,318 4.432,319 3.669,320 6.506,321 4.03,322 3.032,323 3.947,324 1.963,325 10.196,326 3.007,327 4.109,328 3.615,329 6.204,330 3.74,331 2.796,332 3.387,333 1.909,334 9.037,335 2.621,336 3.706,337 3.514,338 5.511,339 3.446,340 2.523,341 2.947,342 1.859,343 7.122,344 2.405,345 3.602,346 3.259,347 5.34,348 3.431,349 2.452,350 2.839,351 0.901,352 6.965,353 2.31,354 3.521,355 3.104,356 5.22,357 3.279,358 2.292,359 2.811,360 0.86,361 6.316,362 2.253,363 3.509,364 3.001,365 5.132,366 3.104,367 2.174,368 2.695,369 0.8,370 6.216,371 2.065,372 3.45,373 2.885,374 4.984,375 3.028,376 2.048,377 2.521,378 0.561,379 5.815,380 1.878,381 3.118,382 2.649,383 4.805,384 2.687,385 1.76,386 2.427,387 0.215,388 5.048,389 1.637,390 2.98,391 2.29,392 4.589,393 2.618,394 1.664,395 2.088,397 4.405,398 1.618,399 2.772,400 2.176,401 4.162,402 2.584,403 1.618,404 1.904,406 3.793,407 1.477,408 2.753,409 1.826,410 3.999,411 2.417,412 1.54,413 1.768,415 3.425,416 1.28,417 2.673,418 1.763,419 3.762,420 2.287,421 1.387,422 1.668,424 3.126,425 1.27,426 2.563,427 1.68,428 3.599,429 2.273,430 1.275,431 1.518,433 2.945,434 1.228,435 2.423,436 1.618,437 3.545,438 2.115,439 1.175,440 1.415,442 2.846,443 1.066,444 21.195,445 0.493,446 0.959,447 0.022,448 48.25,449 1.122,450 20.5,451 0.477,452 27.75,453 0.645,454 49.309,455 1.147,456 47.205,457 0.598,458 41.068,459 0.955,460 9.219,461 0.214,462 11.666,463 0.271,464 0.115,466 0.297,472 0.681,473 1.319,474 0.639,475 0.966,476 0.518,477 0.937,478 0.86,479 1.118,480 0.855,481 0.968,482 0.576,483 0.961,484 1.022,485 0.969,486 0.973,487 0.961,488 1.029,489 0.98,490 0.956,491 1.129,492 0.928,493 1.076,494 1.124,495 1.035,496 0.759,497 0.97,498 0.76,499 0.926,500 0.843,501 0.885,502 1.118,503 1.063,504 0.939,505 1.022,506 1.285,507 0.976,508 1.427,509 0.965,510 0.935,511 0.878,512 1.715,513 0.883,514 1.105,515 0.877,516 1.054,517 0.975,518 1.291,519 0.92,520 7.5,521 0.361,522 4.444,523 3.076,524 2.295,525 1.65,526 0.93,527 0.839,528 0.529,529 0.384,530 35356,531 96969,532 2.086,533 45.6,535 27,536 1,538 2,539 2,540 4,542 1.819,543 1.969,544 3.948,545 0.137,550 133.881,551 1.695,552 3.62,553 4.918,554 5.626,555 5.823,556 5.873,557 3.466,558 5.147,559 5.39,560 4.198,561 3791.01,562 9.557,563 72942.6,568 497.999,569 1.338,570 5.365,571 0.16,572 0.007,573 0.069,574 0.047,575 0.037,576 0.026,577 0.016,578 0.014,579 0.009,580 0.007,581 0.391,582 0.17,583 0.63,584 0.487,585 251.414,586 -0.034,587 -0.124,588 0.034,589 -0.006,590 -0.008,591 0.013,592 -0.013,593 0.04,594 -0.016,595 0.031,596 0.022,597 -0.013,598 -0.067,599 0.076,600 -0.028,601 0.046,602 -0.087,603 -0.004,604 -0.019,605 -0.107,606 0.084,607 -0.035,608 -0.054,609 -0.042,610 0.197,611 0.037,612 0.123,613 0.052,614 0.222,615 0.092,616 -0.03,617 -0.08,618 0.048,619 -0.03,620 -0.014,621 0.002,622 -0.106,623 0.031,624 0.028,625 0.072,626 -0.076,627 0.055,628 0.141,629 0.138,630 0.031,631 0.047,632 0.16,633 0.042,634 1.981,635 6.599,636 0.628,637 68.346,638 1.006,639 1.123,640 3.314,641 10.981,642 0.685,643 3.871,644 4.174,645 4.431,646 4.691,647 4.905,648 4.942,649 5.037,650 5.118,651 5.198,652 5.182,653 9.791,654 0.642,655 643.69,656 3.871,657 5.407,658 6.248,659 7.117,660 7.978,661 8.856,662 9.728,663 10.612,664 11.491,665 12.379,666 5.1,669 1,673 3,680 2,681 10,686 4,688 17,702 2,703 79,705 20,706 3,707 47,709 83,710 32,711 16,712 6,713 10,717 5,718 6,719 2,724 1,727 4,729 19,730 13,733 3,737 3,741 3,747 36,748 8,749 2,750 11,751 3,755 4,760 0.8,761 4,775 1,776 4,780 1,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 2,805 43,810 11,811 2,812 1,813 1,814 2,815 2,824 2,825 5.1,828 3,829 1,832 21.833,833 13.769,834 9.528,835 4.845,836 2.757,837 1.328,838 0.969,839 11.639,840 11.16,841 4.086,842 4.605,843 5.098,844 5.608,845 6.116,846 6.274,847 6.548,848 6.845,849 7.132,850 6.889,851 1,852 66,853 16.108,854 6.976,855 7.773,856 30.828,857 25.738,859 2.273,860 97.722,864 400.217,865 189.037,866 42.27,867 78.297,868 86.435,870 32.22,871 156.817,872 564.949,873 42.27,875 68.568,876 94.762,877 100.549,878 21.643,879 11.771,880 420.666,881 78.297,882 400.217,883 199.087,884 86.435,885 110.517,887 353.133,888 122.519,889 11,891 71.693,892 127.395,893 78.297,894 32.22,895 400.217,896 128.705,897 267.334,900 400.217,901 94.274,902 101.011,903 36.022,904 164.732,905 400.217,906 128.705,907 267.334,909 0.574,910 0.331,911 0.182,912 0.102,913 28,914 13,915 0.145,916 12,917 1,918 1.074,919 5.308,920 425.346,921 0.074,922 27,923 227.329,924 1,928 32.08,929 15.601,930 8.653,931 2.178,932 128.705,933 19.114,938 2.577,940 36.022,941 796.256,942 58.5,946 39.572,950 -0.73,952 79.461,953 88.697,954 0.269,955 0.574,956 0.78,957 0.893,958 0.924,959 0.932,960 5.329,961 2.048,962 6.217,963 6.216,964 4.86,965 5.293,966 3.944,967 7.006,968 4.752,969 6.494,970 1.76,971 7.759,972 5.815,973 4.369,974 5.047,975 2.909,976 7.872,977 4.189,978 7.779,979 1.664,980 9.405,981 5.048,982 6.425,983 7.386,984 6.086,985 11.001,986 6.227,987 9.097,988 1.618,989 11.116,990 4.405,991 6.781,992 7.996,993 5.238,994 12.76,995 6.514,996 10.45,997 1.54,998 12.869,999 3.793,1000 8.286,1001 9.835,1002 8.608,1003 15.409,1004 7.997,1005 11.829,1006 1.387,1007 14.654,1008 3.425,1009 9.054,1010 10.866,1011 7.914,1012 17.543,1013 8.696,1014 13.228,1015 1.275,1016 16.463,1017 3.126,1018 10.335,1019 12.501,1020 11.213,1021 20.033,1022 9.946,1023 3.266,1024 1.175,1025 18.29,1026 2.945,1027 11.306,1028 13.749,1029 10.72,1030 22.325,1031 10.849,1032 3.032,1033 11.459,1034 20.131,1035 2.846,1036 12.498,1037 15.292,1038 13.839,1039 24.762,1040 12.002,1041 2.796,1042 10.196,1043 21.985,1044 4.43,1045 13.565,1046 16.651,1047 13.531,1048 27.123,1049 13.005,1050 2.523,1051 9.037,1052 23.848,1053 3.947,1054 14.727,1055 18.154,1056 16.47,1057 29.545,1058 14.12,1059 2.452,1060 7.122,1061 25.719,1062 3.387,1063 15.841,1064 19.57,1065 16.323,1066 31.937,1067 15.171,1068 2.292,1069 6.965,1070 27.597,1071 2.947,1072 16.996,1073 21.055,1074 19.103,1075 34.356,1076 16.272,1077 2.174,1078 6.316,1079 29.481,1080 2.839,1081 18.134,1082 22.501,1083 19.094,1084 36.765,1085 17.348,1086 33126,1087 55180,1088 31.611,1089 54.148,1090 69.758,1091 74.517,1092 71.218,1093 69.562,1094 69.193,1095 85.001,1096 25.703,1097 193.631,1098 65.168,1099 5.493,1100 6.788,1101 6.677,1102 5.331,1103 5.266,1104 7.43,1105 7.434,1106 18.973,1107 5.029,1108 20.131,1109 1.484,1110 1.585,1111 1.515,1112 1.48,1113 1.472,1114 1.809,1115 0.547,1116 4.12,1117 1.387,1118 4.098,1119 4.12,1120 4.169,1121 4.057,1122 7.435,1123 4.051,1124 3.976,1125 3.997,1126 4.04,1127 3.928,1128 7.427,1129 3.907,1130 3.835,1131 3.896,1132 3.958,1133 3.68,1134 7.422,1135 3.669,1136 3.772,1137 3.801,1138 3.711,1139 3.633,1140 5.015,1141 3.629,1142 3.665,1143 3.722,1144 3.585,1145 3.459,1146 4.896,1147 3.471,1148 3.561,1149 3.614,1150 3.57,1151 3.426,1152 4.629,1153 3.418,1154 3.463,1155 3.508,1156 3.491,1157 3.303,1158 4.627,1159 3.314,1160 3.364,1161 3.41,1162 3.349,1163 3.18,1164 4.348,1165 3.18,1166 0.096,1167 0.102,1168 0.146,1169 0.089,1170 0.069,1171 4.493,1172 0.094,1173 4.788,1174 0.081,1175 6.875,1176 0.244,1177 4.19,1178 0.064,1179 3.266,1180 4.43,1181 3.784,1182 11.459,1183 3.029,1184 2.081,1185 2.062,1186 2.166,1187 2.136,1188 1.333,1189 2.147,1190 1.896,1191 1.882,1192 2.005,1193 2.006,1194 1.325,1195 2.008,1196 1.779,1197 1.715,1198 1.944,1199 1.963,1200 1.177,1201 1.972,1202 1.663,1203 1.627,1204 1.868,1205 1.88,1206 1.155,1207 1.876,1208 1.62,1209 1.564,1210 1.801,1211 1.834,1212 1.1,1213 1.832,1214 1.515,1215 1.471,1216 1.699,1217 1.716,1218 0.884,1219 1.715,1220 1.47,1221 1.424,1222 1.656,1223 1.615,1224 0.825,1225 1.64,1226 1.275,1227 1.224,1228 1.513,1229 1.501,1230 0.825,1231 1.499,1232 4.554,1233 5.861,1234 2.398,1235 7.356,1236 4.844,1237 8.941,1238 7.018,1239 10.577,1242 12.659,1247 6.978,1248 5.928,1249 5.388,1250 1.335,1251 -1.161,1252 3.885,1257 50.742,1258 133.881,1259 286.011,1260 388.515,1261 444.489,1262 459.999,1263 463.999,1264 113.602,1265 8.403,1266 90.98,1267 116.28,1268 29,1269 12.912,1270 4.392,1271 3.644,1272 71.314,1273 241,1274 299,1275 0.133,1276 319.516,1277 566.71,1278 771.379,1279 63397,1280 2.5,1281 30.183,1282 0.702,1283 0.61,1284 31.537,1285 26.226,1286 20.885,1287 0.444,1288 0.347,1289 14.561,1290 19.176,1291 14.146,1292 11.558,1293 21.871,1294 16.297,1295 18.542,1296 0.29,1297 0.201,1298 19.937,1299 12.871,1300 15.259,1301 0.184,1302 0.118,1303 16.712,1304 9.756,1305 12.72,1306 0.118,1307 0.069,1308 14.556,1309 7.496,1310 10.294,1311 0.077,1312 0.039,1313 11.615,1314 5.187,1315 0.215,1316 140.534,1317 0.178,1318 38.75,1319 0.353,1320 222,1321 654.165,1322 297.01,1323 702.358,1324 918.64,1325 656,1326 258,1327 581.99,1328 323.014,1329 618.239,1330 910.27,1331 583,1332 6.42}
{0 CHEMBL44553,1 1.825,2 16.366,3 4.937,4 24.375,5 165.091,6 9.075,7 0.273,8 4.381,9 4.486,10 4.13,11 3.964,12 5.441,13 3.916,14 4.968,15 5.129,16 4.553,17 4.392,18 6.024,19 4.305,20 5.255,21 5.451,22 4.709,23 4.563,24 6.311,25 4.434,26 5.286,27 5.498,28 4.688,29 4.534,30 6.331,31 4.386,32 5.265,33 5.49,34 4.556,35 4.448,36 6.434,37 4.332,38 5.238,39 5.449,40 4.575,41 4.438,42 6.374,43 4.323,44 5.211,45 5.41,46 4.541,47 4.394,48 6.427,49 4.304,50 5.148,51 5.325,52 4.578,53 4.378,54 6.49,55 4.283,56 0.135,57 1.024,58 11.638,59 6.799,60 13.471,61 8.276,62 0.6,63 1.708,64 31.073,65 12.418,66 44.922,67 14.901,68 1.043,69 2.037,70 57.753,71 17.936,72 101.662,73 21.058,74 1.016,75 2.073,76 67.364,77 19.356,78 111.323,79 22.75,80 1.16,81 2.028,82 57.607,83 17.982,84 153.881,85 22.048,86 1.083,87 1.916,88 62.615,89 17.56,90 116.71,91 20.673,92 1.183,93 1.857,94 55.218,95 16.157,96 132.568,97 18.358,98 1.232,99 1.738,100 49.559,101 15.624,102 172.66,103 17.799,104 50,105 60,106 0.285,107 0.564,108 0.762,109 0.876,110 0.893,111 0.893,112 3.741,113 1.081,114 -4.59,115 -4.51,116 -4.25,119 38.4,121 3,125 8,127 1,128 1,138 6,139 2,140 4,151 3,163 6,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 1,183 11,187 7,190 1,192 3,194 11,197 3,198 6,201 3,203 3,205 3,208 1,209 9,214 4,217 7,220 1,221 8,224 1,226 5,227 4,230 1,231 7,234 2,235 1,236 3,238 7,241 2,242 8,247 1,249 7,252 4400,253 27.275,254 27.275,255 27.275,256 27.275,257 27.275,258 25.227,259 32.843,260 16.285,261 28.332,262 21.7,263 21.7,264 21.7,265 21.7,266 21.7,267 18.524,268 33.178,269 7.796,270 23.599,271 4.364,272 2.578,273 1.308,274 0.575,275 0.466,276 0.466,277 4.431,279 4,283 1,284 1421,285 4.528,287 136.687,288 494.858,295 2.801,296 58.466,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 89.333,308 671,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.215,319 3.667,320 6.204,321 3.747,322 2.83,323 3.869,324 1.963,325 9.037,326 2.624,327 4.109,328 3.615,329 5.95,330 3.736,331 2.796,332 3.387,333 1.907,334 8.322,335 2.591,336 3.701,337 3.51,338 5.51,339 3.453,340 2.525,341 2.884,342 1.859,343 7.117,344 2.402,345 3.598,346 3.319,347 5.34,348 3.423,349 2.451,350 2.817,351 0.901,352 6.965,353 2.308,354 3.518,355 3.259,356 5.212,357 3.272,358 2.293,359 2.812,360 0.86,361 6.425,362 2.234,363 3.515,364 3.002,365 5.134,366 3.138,367 2.214,368 2.708,369 0.8,370 6.215,371 1.929,372 3.476,373 2.885,374 4.997,375 3.057,376 2.128,377 2.519,378 0.215,379 5.89,380 1.877,381 2.98,382 2.649,383 4.81,384 2.659,385 1.761,386 2.088,387 0.149,388 5.072,389 1.555,390 2.82,391 2.599,392 4.591,393 2.519,394 1.614,395 1.949,397 4.409,398 1.44,399 2.745,400 2.176,401 4.043,402 2.417,403 1.534,404 1.759,406 3.527,407 1.276,408 2.612,409 2.136,410 3.999,411 2.306,412 1.414,413 1.606,415 3.309,416 1.201,417 2.564,418 1.819,419 3.715,420 2.184,421 1.266,422 1.519,424 3.125,425 1.143,426 2.312,427 1.681,428 3.493,429 2.122,430 1.175,431 1.297,433 2.71,434 1.081,435 2.24,436 1.678,437 3.411,438 2.044,439 1.088,440 1.191,442 2.41,443 1.01,444 20.624,445 0.503,446 1.052,447 0.026,448 43.25,449 1.055,450 16.5,451 0.402,452 26.75,453 0.652,454 49.837,455 1.216,456 45.976,457 0.63,458 36.069,459 0.88,460 8.182,461 0.2,462 11.525,463 0.281,464 0.187,466 0.305,472 0.67,473 1.398,474 0.567,475 0.911,476 0.516,477 0.906,478 0.833,479 1.161,480 0.744,481 0.901,482 0.565,483 0.916,484 1.018,485 0.966,486 0.902,487 0.919,488 1.02,489 0.964,490 0.934,491 1.102,492 0.869,493 1.045,494 1.122,495 1.02,496 0.802,497 1.015,498 0.73,499 0.908,500 0.924,501 0.871,502 1.049,503 1.052,504 0.906,505 1.004,506 1.187,507 0.965,508 1.306,509 0.946,510 0.93,511 0.937,512 1.609,513 0.914,514 1.115,515 1.061,516 0.919,517 1.029,518 1.478,519 1.021,520 8.5,521 0.324,522 4.444,523 3.076,524 2.273,525 1.671,526 0.97,527 0.855,528 0.49,529 0.413,530 29995,531 102140,532 2.021,533 43.8,535 23,536 1,538 2,539 2,540 2,541 2,542 1.808,543 1.878,544 3.932,545 0.21,550 133.251,551 1.825,552 3.612,553 4.882,554 5.614,555 5.724,556 5.724,557 3.448,558 4.949,559 5.319,560 4.174,561 3423.08,562 9.418,563 63969.9,568 451.857,569 1.455,570 5.28,571 0.193,572 0.006,573 0.074,574 0.05,575 0.041,576 0.029,577 0.017,578 0.015,579 0.009,580 0.008,581 0.443,582 0.17,583 0.75,584 0.566,585 236.84,586 -0.049,587 -0.161,588 0.016,589 -0.016,590 -0.006,591 0.001,592 -0.033,593 0.02,594 0.003,595 0.058,596 0.033,597 0.008,598 -0.077,599 0.086,600 0.007,601 0.072,602 -0.08,603 0.002,604 -0.033,605 -0.081,606 0.058,607 -0.017,608 -0.068,609 -0.026,610 0.129,611 -0.006,612 0.084,613 0.06,614 0.17,615 0.105,616 -0.037,617 -0.047,618 0.001,619 -0.031,620 -0.026,621 0.003,622 -0.128,623 0.079,624 -0.053,625 0.019,626 -0.119,627 0.018,628 0.067,629 -0.053,630 -0.028,631 -0.065,632 0.096,633 -0.081,634 1.995,635 6.47,636 0.561,637 65.932,638 1.017,639 1.126,640 3.36,641 11.287,642 0.7,643 3.807,644 4.111,645 4.331,646 4.554,647 4.754,648 4.796,649 4.86,650 4.927,651 4.997,652 5.004,653 9.598,654 0.656,655 662.51,656 3.807,657 5.342,658 6.172,659 7.034,660 7.885,661 8.756,662 9.619,663 10.496,664 11.368,665 12.251,666 5.5,669 1,673 3,681 6,686 6,688 12,702 4,703 73,705 15,706 2,707 44,709 76,710 28,711 12,712 6,713 6,717 4,718 4,719 4,724 1,727 4,729 15,730 13,733 3,737 3,741 3,747 32,748 8,749 2,750 13,751 5,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 4,805 41,810 11,811 2,812 1,813 1,814 2,815 2,824 4,825 5.5,828 3,829 1,832 21.833,833 12.721,834 9.083,835 4.41,836 1.582,837 1.198,838 0.949,839 12.76,840 9.565,841 3.989,842 4.477,843 4.879,844 5.29,845 5.728,846 5.77,847 5.83,848 6.048,849 6.256,850 6.318,851 1,852 61,853 15.338,854 6.613,855 7.889,856 28.986,857 23.902,859 2.389,860 97.944,864 353.133,865 152.987,866 42.27,867 156.595,868 86.435,870 32.22,871 120.768,872 596.162,873 42.27,875 68.568,876 56.857,877 100.549,878 23.498,879 11.771,880 373.581,881 156.595,882 353.133,883 163.038,884 86.435,885 188.814,887 306.049,888 122.519,889 11,891 71.693,892 91.345,893 156.595,894 32.22,895 353.133,896 128.705,897 309.582,900 353.133,901 96.13,902 63.106,903 36.022,904 243.029,905 353.133,906 128.705,907 309.582,909 0.578,910 0.328,911 0.17,912 0.095,913 25,914 13,915 0.158,916 12,918 1,919 5.101,920 387.89,922 23,923 215.66,924 1,928 32.675,929 16.011,930 9.63,932 128.705,933 10.382,938 3.387,940 36.022,941 791.42,942 53,946 39.1,950 -0.803,952 74.225,953 82.17,954 0.295,955 0.584,956 0.789,957 0.907,958 0.925,959 0.925,960 5.242,961 2.128,962 6.151,963 6.215,964 4.796,965 5.165,966 3.934,967 6.927,968 4.634,969 6.404,970 1.761,971 7.692,972 5.89,973 4.369,974 4.956,975 2.909,976 7.763,977 4.074,978 7.687,979 1.614,980 9.333,981 5.072,982 6.358,983 7.176,984 6.085,985 10.866,986 6.065,987 8.996,988 1.534,989 11.033,990 4.409,991 6.735,992 7.745,993 5.238,994 12.574,995 6.308,996 10.339,997 1.414,998 12.773,999 3.527,1000 8.202,1001 9.496,1002 8.608,1003 15.218,1004 7.768,1005 11.702,1006 1.266,1007 14.542,1008 3.309,1009 8.967,1010 10.423,1011 7.914,1012 17.324,1013 8.405,1014 13.082,1015 1.175,1016 16.335,1017 3.125,1018 10.227,1019 11.987,1020 11.213,1021 19.819,1022 9.635,1023 3.266,1024 1.088,1025 18.146,1026 2.71,1027 11.188,1028 13.1,1029 10.72,1030 22.107,1031 10.477,1032 2.83,1033 11.459,1034 19.973,1035 2.41,1036 12.368,1037 14.575,1038 13.839,1039 24.554,1040 11.606,1041 2.796,1042 9.037,1043 21.813,1044 3.947,1045 13.427,1046 15.79,1047 13.531,1048 26.923,1049 12.558,1050 2.525,1051 8.322,1052 23.666,1053 3.869,1054 14.582,1055 17.217,1056 16.47,1057 29.357,1058 13.647,1059 2.451,1060 7.117,1061 25.528,1062 3.387,1063 15.691,1064 18.492,1065 16.323,1066 31.762,1067 14.658,1068 2.293,1069 6.965,1070 27.399,1071 2.884,1072 16.843,1073 19.892,1074 19.103,1075 34.195,1076 15.734,1077 2.214,1078 6.425,1079 29.277,1080 2.817,1081 17.98,1082 21.202,1083 19.094,1084 36.617,1085 16.779,1086 28800,1087 53447,1088 28.838,1089 51.102,1090 65.125,1091 70.337,1092 66.976,1093 65.193,1094 64.62,1095 76.843,1096 24.875,1097 180.733,1098 58.932,1099 5.432,1100 6.788,1101 6.677,1102 5.33,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 23.698,1109 1.48,1110 1.599,1111 1.522,1112 1.482,1113 1.469,1114 1.746,1115 0.565,1116 4.108,1117 1.339,1118 3.996,1119 4.02,1120 4.171,1121 3.94,1122 7.435,1123 3.921,1124 3.924,1125 3.944,1126 4.111,1127 3.884,1128 7.427,1129 3.87,1130 3.829,1131 3.889,1132 3.959,1133 3.678,1134 7.422,1135 3.666,1136 3.77,1137 3.797,1138 3.708,1139 3.616,1140 5.044,1141 3.619,1142 3.645,1143 3.699,1144 3.593,1145 3.422,1146 5.01,1147 3.441,1148 3.535,1149 3.592,1150 3.564,1151 3.352,1152 4.629,1153 3.348,1154 3.371,1155 3.424,1156 3.521,1157 3.204,1158 4.627,1159 3.198,1160 3.229,1161 3.266,1162 3.402,1163 3.068,1164 4.491,1165 3.059,1166 0.101,1167 0.109,1168 0.156,1169 0.095,1170 0.074,1171 4.432,1172 0.09,1173 4.788,1174 0.086,1175 6.875,1176 0.26,1177 4.19,1178 0.068,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.911,1185 1.892,1186 2.006,1187 2.004,1188 1.299,1189 2.005,1190 1.896,1191 1.882,1192 1.987,1193 1.99,1194 1.234,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.175,1201 1.97,1202 1.66,1203 1.626,1204 1.826,1205 1.865,1206 1.103,1207 1.856,1208 1.587,1209 1.532,1210 1.79,1211 1.817,1212 1.086,1213 1.814,1214 1.453,1215 1.394,1216 1.662,1217 1.681,1218 0.874,1219 1.683,1220 1.393,1221 1.343,1222 1.6,1223 1.563,1224 0.859,1225 1.594,1226 1.153,1227 1.092,1228 1.513,1229 1.384,1230 0.825,1231 1.429,1232 4.489,1233 5.796,1234 2.398,1235 7.28,1236 4.844,1237 8.848,1238 7.018,1239 10.464,1242 24.62,1247 6.191,1248 5.79,1249 5.367,1250 1.308,1251 -1.189,1252 3.792,1257 47.871,1258 133.251,1259 263.679,1260 356.373,1261 409.857,1262 417.857,1263 417.857,1264 128.802,1265 7.983,1266 90.98,1267 116.28,1268 23,1269 12.788,1270 4,1271 3.322,1272 76.016,1273 224,1274 262,1275 0.153,1276 311.06,1277 556.47,1278 750.748,1279 36133,1280 5.5,1281 29.355,1282 0.716,1283 0.639,1284 31.708,1285 26.185,1286 19.706,1287 0.448,1288 0.36,1289 13.416,1290 17.426,1291 12.967,1292 10.535,1293 21.269,1294 15.848,1295 17.777,1296 0.296,1297 0.213,1298 19.913,1299 12.765,1300 14.271,1301 0.19,1302 0.128,1303 16.639,1304 9.609,1305 11.291,1306 0.12,1307 0.075,1308 13.528,1309 7.06,1310 8.916,1311 0.078,1312 0.042,1313 10.617,1314 4.862,1315 0.247,1316 139.813,1317 0.186,1318 37.372,1319 0.406,1320 208,1321 672.572,1322 314.049,1323 774.21,1324 982.6,1325 718,1326 239,1327 571.716,1328 331.077,1329 624.372,1330 917.65,1331 587,1332 4.886}
{0 CHEMBL44561,1 1.838,2 14.459,3 3.241,4 10.501,5 149.561,6 8.741,7 0.275,8 4.299,9 4.405,10 4.051,11 3.886,12 5.346,13 3.826,14 4.885,15 5.048,16 4.454,17 4.309,18 5.92,19 4.208,20 5.144,21 5.342,22 4.479,23 4.423,24 6.155,25 4.288,26 5.178,27 5.39,28 4.587,29 4.42,30 6.231,31 4.276,32 5.163,33 5.388,34 4.505,35 4.358,36 6.356,37 4.248,38 5.141,39 5.343,40 4.49,41 4.358,42 6.295,43 4.244,44 5.129,45 5.332,46 4.503,47 4.332,48 6.321,49 4.223,50 5.053,51 5.232,52 4.516,53 4.299,54 6.371,55 4.194,56 0.101,57 0.982,58 12.222,59 6.582,60 10.585,61 7.832,62 0.541,63 1.652,64 31.592,65 11.936,66 40.009,67 13.918,68 0.85,69 1.926,70 51.31,71 16.401,72 81.718,73 18.923,74 0.867,75 1.941,76 60.509,77 17.236,78 93.731,79 20.009,80 0.99,81 1.897,82 50.7,83 16.265,84 132.737,85 19.831,86 0.886,87 1.813,88 55.207,89 16.221,90 101.502,91 18.618,92 1.005,93 1.794,94 51.586,95 15.415,96 115.882,97 17.107,98 1.016,99 1.664,100 47.835,101 14.723,102 141.114,103 16.742,104 26,105 54,106 0.292,107 0.597,108 0.802,109 0.888,110 0.888,111 0.888,112 3.642,113 1.106,114 -3.43,115 -3.41,116 -3.26,119 37.3,121 2,125 8,127 1,128 1,138 5,139 1,140 2,147 1,148 1,151 3,163 3,165 1,166 4,169 2,171 2,172 11,175 2,176 4,179 1,181 2,183 4,187 6,190 1,192 2,194 7,197 3,198 7,201 3,203 2,205 3,208 1,209 8,214 3,217 5,220 1,221 5,224 1,226 4,227 4,230 1,231 8,234 2,235 1,236 3,238 4,241 2,242 5,247 1,249 5,252 3332,253 24.913,254 24.913,255 24.913,256 24.913,257 24.913,258 23.073,259 30.676,260 15.046,261 25.942,262 19.766,263 19.766,264 19.766,265 19.766,266 19.766,267 16.9,268 34.804,269 7.23,270 21.49,271 4.228,272 2.31,273 1.02,274 0.478,275 0.478,276 0.478,277 4.333,279 2,283 1,284 1143,285 4.301,287 250.706,288 284.547,295 2.28,296 50.113,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.5,305 0.5,306 0.71,307 80.667,308 535,309 4.432,310 4.788,311 6.875,312 4.19,313 3.266,314 3.947,315 3.784,316 11.459,317 3.008,318 4.109,319 3.669,320 6.204,321 3.741,322 2.797,323 3.482,324 1.963,325 9.037,326 2.622,327 3.93,328 3.615,329 5.514,330 3.504,331 2.574,332 3.386,333 1.909,334 7.182,335 2.422,336 3.685,337 3.513,338 5.363,339 3.443,340 2.524,341 2.868,342 1.859,343 6.969,344 2.322,345 3.585,346 3.259,347 5.34,348 3.378,349 2.413,350 2.812,351 0.901,352 6.956,353 2.284,354 3.516,355 3.002,356 5.133,357 3.232,358 2.263,359 2.709,360 0.86,361 6.215,362 2.169,363 3.482,364 2.885,365 4.983,366 3.057,367 2.132,368 2.519,369 0.8,370 5.853,371 1.879,372 2.98,373 2.737,374 4.803,375 2.654,376 1.756,377 2.088,378 0.561,379 5.05,380 1.552,381 2.752,382 2.649,383 4.587,384 2.519,385 1.614,386 1.779,387 0.215,388 4.404,389 1.438,390 2.651,391 2.176,392 3.999,393 2.415,394 1.532,395 1.686,397 3.309,398 1.278,399 2.608,400 1.819,401 3.715,402 2.227,403 1.284,404 1.602,406 3.125,407 1.196,408 2.558,409 1.681,410 3.519,411 2.172,412 1.243,413 1.511,415 2.758,416 1.133,417 2.311,418 1.678,419 3.455,420 2.109,421 1.173,422 1.294,424 2.687,425 1.056,426 2.118,427 1.541,428 3.247,429 1.952,430 1,431 1,433 2.136,434 0.946,435 2,436 1.256,437 3.197,438 1.487,439 0.618,440 0.927,442 1.372,443 0.511,444 18.529,445 0.501,446 0.856,447 0.023,448 38.75,449 1.047,450 14.5,451 0.392,452 24.25,453 0.655,454 43.122,455 1.165,456 41.471,457 0.619,458 30.87,459 0.834,460 7.267,461 0.196,462 10.635,463 0.287,464 0.131,466 0.286,472 0.699,473 1.356,474 0.631,475 0.922,476 0.516,477 0.925,478 0.884,479 1.119,480 0.863,481 0.939,482 0.575,483 0.94,484 1.083,485 1.024,486 1.051,487 1.033,488 1.076,489 1.025,490 0.999,491 1.058,492 0.884,493 0.991,494 1.184,495 0.995,496 0.761,497 0.94,498 0.68,499 0.845,500 0.875,501 0.81,502 1.139,503 1.044,504 0.946,505 0.989,506 1.303,507 0.972,508 1.348,509 0.873,510 0.882,511 0.802,512 1.595,513 0.871,514 1.073,515 1.075,516 1.003,517 1.061,518 1.355,519 1.012,520 7,521 0.284,522 3.556,523 2.611,524 2.024,525 1.445,526 0.939,527 0.724,528 0.443,529 0.353,530 22274,531 69625,532 2.054,533 44.8,535 22,536 2,538 2,539 2,541 2,542 1.785,543 1.93,544 3.77,545 0.243,550 123.125,551 1.838,552 3.757,553 5.046,554 5.588,555 5.588,556 5.588,557 3.26,558 4.939,559 5.171,560 3.999,561 2663.31,562 9.129,563 45271.6,568 406.428,569 1.374,570 5.143,571 0.175,572 0.007,573 0.066,574 0.05,575 0.04,576 0.026,577 0.018,578 0.014,579 0.009,580 0.008,581 0.412,582 0.33,583 0.75,584 0.531,585 205.88,586 -0.051,587 -0.151,588 0.036,589 0.007,590 -0.007,591 0.009,592 -0.038,593 0.045,594 -0.017,595 0.054,596 0.022,597 -0.001,598 -0.103,599 0.017,600 -0.089,601 -0.027,602 -0.106,603 -0.055,604 -0.033,605 -0.059,606 0.086,607 -0.002,608 -0.067,609 -0.013,610 0.207,611 0.037,612 0.163,613 0.089,614 0.239,615 0.161,616 -0.051,617 -0.061,618 0.002,619 -0.032,620 -0.034,621 -0.009,622 -0.126,623 0.12,624 0.034,625 0.119,626 -0.111,627 0.059,628 0.122,629 -0.086,630 0.011,631 -0.074,632 0.136,633 -0.052,634 1.95,635 6.367,636 0.595,637 52.983,638 1.013,639 1.125,640 2.203,641 4.852,642 0.694,643 3.714,644 4.007,645 4.234,646 4.477,647 4.635,648 4.7,649 4.804,650 4.883,651 4.942,652 4.97,653 8.581,654 0.647,655 585.63,656 3.714,657 5.242,658 6.071,659 6.932,660 7.784,661 8.655,662 9.52,663 10.399,664 11.274,665 12.16,666 6,669 1,673 3,681 6,685 1,686 4,688 11,702 2,703 67,705 14,706 1,707 40,709 70,710 25,711 10,712 3,713 3,717 4,718 4,719 2,724 1,727 3,729 13,730 12,733 3,737 3,741 3,747 30,748 8,749 2,750 12,751 4,755 4,760 1,761 4,775 2,776 2,783 2,784 1,792 1,795 1,796 4,797 1,799 2,802 2,805 37,810 10,811 2,812 1,813 1,814 2,815 2,820 1,824 2,825 6,828 3,829 1,832 19.167,833 11.602,834 8.222,835 3.984,836 1.353,837 1.175,838 0.953,839 11.105,840 9.096,841 3.902,842 4.366,843 4.759,844 5.173,845 5.462,846 5.572,847 5.733,848 5.999,849 6.153,850 6.235,851 0.9,852 52,853 13.868,854 5.984,855 7.844,856 26.373,857 21.822,859 2.344,860 86.722,864 329.591,865 171.075,866 42.27,867 78.297,868 86.435,870 63.497,871 107.578,872 494.323,873 42.27,875 66.034,876 55.03,877 100.549,878 13.311,879 24.901,880 369.546,881 78.297,882 329.591,883 149.848,884 86.435,885 141.795,887 306.049,888 98.977,889 11,891 69.158,892 80.689,893 78.297,894 63.497,895 329.591,896 128.705,897 249.372,900 329.591,901 116.044,902 61.279,903 36.022,904 164.732,905 329.591,906 128.705,907 249.372,909 0.573,910 0.325,911 0.174,912 0.093,913 23,914 11,915 0.157,916 11,918 1,919 4.812,920 340.854,922 22,923 188.75,924 2,928 28.804,929 14.265,930 8.393,932 128.705,933 10.911,937 1.559,938 2.621,940 36.022,941 707.668,942 48.5,946 38.765,950 -0.709,952 67.887,953 75.372,954 0.303,955 0.619,956 0.832,957 0.921,958 0.921,959 0.921,960 5.146,961 1.756,962 6.038,963 5.853,964 4.691,965 5.053,966 3.944,967 6.808,968 4.532,969 6.294,970 1.614,971 7.57,972 5.05,973 4.205,974 4.745,975 2.909,976 7.633,977 3.954,978 7.564,979 1.532,980 9.203,981 4.404,982 6.24,983 7.019,984 6.086,985 10.752,986 5.945,987 8.863,988 1.284,989 10.899,990 3.309,991 6.594,992 7.539,993 5.238,994 12.481,995 6.202,996 10.197,997 1.243,998 12.639,999 3.125,1000 8.078,1001 9.286,1002 8.608,1003 15.132,1004 7.641,1005 11.553,1006 1.173,1007 14.41,1008 2.758,1009 8.838,1010 10.189,1011 7.914,1012 17.261,1013 8.299,1014 12.926,1015 1,1016 16.206,1017 2.687,1018 10.104,1019 11.725,1020 11.213,1021 19.763,1022 9.512,1023 3.266,1024 0.618,1025 18.022,1026 2.136,1027 11.068,1028 12.824,1029 10.72,1030 22.067,1031 10.374,1032 2.797,1033 11.459,1034 19.856,1035 1.372,1036 12.254,1037 14.267,1038 13.839,1039 24.521,1040 11.495,1041 2.574,1042 9.037,1043 21.704,1044 3.947,1045 13.32,1046 15.472,1047 13.531,1048 26.899,1049 12.463,1050 2.524,1051 7.182,1052 23.564,1053 3.482,1054 14.481,1055 16.872,1056 16.47,1057 29.339,1058 13.55,1059 2.413,1060 6.969,1061 25.435,1062 3.386,1063 15.599,1064 18.138,1065 16.323,1066 31.749,1067 14.574,1068 2.263,1069 6.956,1070 27.314,1071 2.868,1072 16.757,1073 19.517,1074 19.103,1075 34.185,1076 15.653,1077 2.132,1078 6.215,1079 29.2,1080 2.812,1081 17.902,1082 20.821,1083 19.094,1084 36.609,1085 16.708,1086 21246,1087 37828,1088 26.641,1089 46.512,1090 59.451,1091 62.968,1092 60.089,1093 59.045,1094 58.708,1095 69.84,1096 25.703,1097 162.523,1098 53.779,1099 5.432,1100 6.788,1101 6.677,1102 5.333,1103 5.266,1104 6.947,1105 7.434,1106 18.973,1107 5.008,1108 18.188,1109 1.486,1110 1.574,1111 1.502,1112 1.476,1113 1.468,1114 1.746,1115 0.643,1116 4.063,1117 1.344,1118 3.99,1119 4.013,1120 4.222,1121 3.944,1122 7.435,1123 3.915,1124 3.875,1125 3.897,1126 4.16,1127 3.901,1128 7.427,1129 3.823,1130 3.827,1131 3.882,1132 3.958,1133 3.675,1134 7.422,1135 3.66,1136 3.761,1137 3.786,1138 3.708,1139 3.616,1140 5.014,1141 3.618,1142 3.629,1143 3.68,1144 3.583,1145 3.413,1146 4.678,1147 3.429,1148 3.485,1149 3.537,1150 3.549,1151 3.278,1152 4.628,1153 3.288,1154 3.317,1155 3.36,1156 3.446,1157 3.122,1158 4.626,1159 3.121,1160 3.111,1161 3.206,1162 3.242,1163 2.941,1164 4.233,1165 2.918,1166 0.111,1167 0.12,1168 0.172,1169 0.105,1170 0.082,1171 4.432,1172 0.099,1173 4.788,1174 0.095,1175 6.875,1176 0.286,1177 4.19,1178 0.075,1179 3.266,1180 3.947,1181 3.784,1182 11.459,1183 3.008,1184 1.896,1185 1.882,1186 1.987,1187 2.003,1188 1.299,1189 2.002,1190 1.766,1191 1.701,1192 1.944,1193 1.961,1194 1.177,1195 1.97,1196 1.681,1197 1.647,1198 1.83,1199 1.88,1200 1.113,1201 1.871,1202 1.599,1203 1.548,1204 1.811,1205 1.835,1206 1.09,1207 1.829,1208 1.529,1209 1.493,1210 1.704,1211 1.696,1212 0.951,1213 1.703,1214 1.434,1215 1.389,1216 1.632,1217 1.612,1218 0.867,1219 1.635,1220 1.391,1221 1.368,1222 1.513,1223 1.488,1224 0.825,1225 1.534,1226 1.153,1227 1.094,1228 1.497,1229 1.376,1230 0.649,1231 1.429,1232 4.394,1233 5.694,1234 3.045,1235 7.165,1236 5.352,1237 8.719,1238 7.402,1239 10.325,1242 12.544,1247 5.831,1248 5.8,1249 5.361,1250 1.333,1251 -1.11,1252 3.817,1257 43.349,1258 123.125,1259 251.691,1260 338.063,1261 374.428,1262 374.428,1263 374.428,1264 103.863,1265 7.743,1266 90.98,1267 144.52,1268 22,1269 12.694,1270 3.907,1271 3.248,1272 64.608,1273 178,1274 222,1275 0.163,1276 279.676,1277 495.3,1278 674.169,1279 25753,1280 3,1281 26.2,1282 0.708,1283 0.633,1284 27.907,1285 23.435,1286 17.902,1287 0.448,1288 0.369,1289 12.212,1290 15.691,1291 11.772,1292 9.572,1293 19.342,1294 14.751,1295 15.94,1296 0.295,1297 0.222,1298 17.945,1299 11.99,1300 12.798,1301 0.188,1302 0.133,1303 14.887,1304 9.067,1305 10.434,1306 0.12,1307 0.08,1308 12.834,1309 6.941,1310 7.869,1311 0.077,1312 0.044,1313 9.485,1314 4.478,1315 0.26,1316 127.176,1317 0.194,1318 34.236,1319 0.439,1320 188,1321 601.026,1322 285.293,1323 664.885,1324 856.98,1325 620,1326 216,1327 513.39,1328 297.995,1329 559.217,1330 820.87,1331 526,1332 4.959}
{0 CHEMBL449621,1 1.36,2 17.256,3 3.813,4 14.538,5 173.005,6 5.96,7 0.128,8 4.655,9 4.8,10 4.03,11 4.137,12 5.503,13 4.073,14 5.317,15 5.54,16 4.428,17 4.603,18 6.08,19 4.508,20 5.676,21 5.922,22 4.594,23 4.879,24 6.415,25 4.754,26 5.871,27 6.131,28 4.604,29 4.988,30 6.67,31 4.822,32 5.972,33 6.273,34 4.507,35 4.971,36 6.693,37 4.783,38 5.874,39 6.174,40 4.448,41 4.911,42 6.571,43 4.72,44 5.814,45 6.108,46 4.378,47 4.886,48 6.464,49 4.688,50 5.814,51 6.114,52 4.403,53 4.857,54 6.481,55 4.659,56 0.101,57 1.437,58 25.522,59 9.944,60 12.588,61 14.667,62 0.496,63 2.409,64 48.484,65 16.76,66 34.807,67 25.515,68 0.6,69 3.199,70 68.241,71 23.516,72 45.705,73 35.658,74 0.862,75 3.62,76 81.838,77 28.875,78 90.567,79 43.043,80 0.952,81 3.689,82 88.686,83 28.707,84 98.355,85 44.476,86 0.961,87 3.424,88 80.35,89 27.193,90 85.344,91 41.607,92 0.645,93 3.278,94 75.04,95 26.9,96 66.718,97 40.578,98 0.735,99 3.223,100 74.854,101 26.704,102 71.657,103 40.29,104 59,105 68,106 0.201,107 0.393,108 0.653,109 0.803,110 0.819,111 0.819,112 3.788,113 1.112,114 -5.06,115 -4.96,116 -4.64,119 35,120 5,121 12,122 2,123 1,125 7,127 1,129 1,139 1,142 2,144 1,151 2,163 12,165 3,166 20,172 19,176 9,183 8,186 5,187 22,194 18,198 5,205 15,208 4,209 13,217 26,221 2,227 14,230 3,231 19,238 16,242 6,249 8,252 4208,253 28.946,254 28.946,255 28.946,256 28.946,257 28.946,258 27.916,259 39.53,260 16.786,261 29.588,262 22.983,263 22.983,264 22.983,265 22.983,266 22.983,267 21.362,268 55.17,269 7.679,270 23.864,271 5.284,272 3.985,273 2.226,274 1.208,275 1.098,276 1.098,277 4.486,283 1,284 1595,285 4.472,288 826.607,295 2.89,296 40.193,299 0.75,300 0.83,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.85,307 91.5,308 742,309 4.596,310 3.936,311 7.717,312 4.566,313 3.573,314 4.114,315 1.94,316 14.304,317 3.553,318 4.488,319 3.751,320 7.468,321 4.388,322 3.42,323 3.647,324 1.2,325 13.179,326 3.302,327 4.408,328 3.599,329 6.784,330 4.122,331 3.139,332 3.432,333 0.86,334 10.975,335 3.084,336 3.852,337 3.239,338 6.202,339 3.739,340 2.77,341 2.94,342 0.8,343 9.028,344 2.683,345 3.695,346 2.896,347 5.772,348 3.527,349 2.56,350 2.897,351 0.555,352 7.678,353 2.48,354 3.611,355 2.863,356 5.511,357 3.418,358 2.478,359 2.627,360 0.293,361 7.357,362 2.324,363 3.232,364 2.535,365 5.26,366 3.14,367 2.173,368 2.481,370 6.477,371 2.082,372 3.211,373 2.301,374 5.038,375 2.853,376 1.89,377 2.216,379 5.532,380 1.817,381 2.948,382 2.147,383 4.952,384 2.832,385 1.879,386 2.028,388 5.194,389 1.787,390 2.863,391 2.089,392 4.841,393 2.739,394 1.779,395 1.877,397 5.104,398 1.7,399 2.746,400 1.971,401 4.332,402 2.44,403 1.497,404 1.763,406 3.858,407 1.411,408 2.5,409 1.723,410 3.846,411 2.417,412 1.418,413 1.472,415 2.869,416 1.405,417 2.402,418 1.484,419 3.802,420 2.024,421 1.11,422 1.28,424 2.372,425 1.003,426 2.11,427 1.343,428 3.802,429 2,430 1,431 1.11,433 2.372,434 1,435 2,436 1.209,437 3.612,438 1.984,439 1,440 1,442 2.297,443 0.983,444 20.5,445 0.477,446 1.152,447 0.027,448 36.75,449 0.855,450 9,451 0.209,452 27.75,453 0.645,454 68.868,455 1.602,456 51.5,457 0.515,458 25.704,459 0.598,460 5.455,461 0.127,462 15.237,463 0.354,464 0.154,465 0.049,466 0.254,472 0.734,473 1.653,474 1.01,475 1.411,476 0.565,477 1.264,478 0.932,479 1.188,480 0.989,481 1.073,482 0.545,483 1.035,484 1.147,485 1.115,486 1.079,487 1.08,488 0.825,489 1.067,490 1.017,491 1.188,492 1.115,493 1.219,494 1.229,495 1.191,496 1.201,497 0.941,498 1.02,499 0.928,500 1.464,501 0.95,502 0.937,503 0.909,504 0.991,505 0.94,506 1.074,507 0.967,508 0.845,509 1.007,510 1.007,511 1.045,512 0.996,513 1.045,514 0.663,515 1.033,516 0.897,517 1.043,518 0.706,519 1.006,520 10,521 0.355,522 6.889,523 3.875,524 3.138,525 2.014,526 1.354,527 1.002,528 0.616,529 0.483,530 33501,531 63146,532 2.047,533 57,534 13,535 15,537 1,539 7,540 17,541 4,542 1.815,543 1.897,544 3.994,545 -0.809,550 136.021,551 1.36,552 2.659,553 4.418,554 5.436,555 5.546,556 5.546,557 3.543,558 4.944,559 5.39,560 4.216,561 3807.25,562 9.534,563 70894.1,568 664.386,569 1.618,570 5.339,571 0.213,572 0.007,573 0.101,574 0.05,575 0.043,576 0.031,577 0.021,578 0.017,579 0.01,580 0.009,581 0.502,582 0.17,583 0.75,584 1.09,585 250.316,586 0.04,587 -0.246,588 0.078,589 -0.089,590 0.014,591 -0.016,592 0.068,593 0.027,594 0.072,595 0.047,596 0.074,597 0.058,598 -0.095,599 0.016,600 -0.038,601 -0.004,602 -0.009,603 -0.01,604 0.028,605 -0.136,606 -0.102,607 -0.161,608 0.024,609 -0.152,610 -0.101,611 0.014,612 -0.026,613 0.024,614 -0.094,615 0.01,616 0.014,617 0.066,618 -0.01,619 0.035,620 -0.014,621 0.012,622 -0.047,623 -0.02,624 -0.044,625 -0.029,626 -0.061,627 -0.035,628 0.112,629 -0.074,630 0.055,631 -0.038,632 0.074,633 -0.004,634 1.596,635 7.098,636 0.674,637 67.891,638 0.985,639 1.139,640 3.827,641 14.644,642 0.612,643 3.871,644 4.234,645 4.543,646 4.787,647 5.037,648 5.17,649 5.313,650 5.472,651 5.606,652 5.753,653 9.69,654 0.559,655 595.97,656 3.871,657 5.442,658 6.315,659 7.217,660 8.109,661 9.019,662 9.918,663 10.832,664 11.737,665 12.654,666 5,669 1,673 2,676 2,681 1,682 2,686 3,688 6,693 1,703 100,705 8,707 47,709 104,710 35,711 4,714 1,717 5,718 5,721 5,722 1,723 1,724 10,725 3,727 13,729 6,730 29,731 3,733 2,737 2,741 2,747 57,748 8,750 8,755 5,760 0.8,761 3,771 1,776 5,784 1,792 1,795 1,796 4,801 5,805 43,810 19,812 1,814 3,815 3,816 2,825 3,828 2,829 1,832 22.667,833 19.083,834 9.542,835 7.185,836 1.007,837 1.113,838 0.921,839 10.752,840 9.889,841 3.97,842 4.425,843 4.85,844 5.217,845 5.53,846 5.633,847 5.745,848 5.937,849 6.025,850 6.198,851 0.917,852 78,853 16.201,854 6.941,855 7.473,856 32.582,857 28.41,859 1.973,860 84.833,864 670.953,865 118.494,866 42.944,868 61.29,871 118.494,872 732.243,873 42.944,874 44.126,875 53.89,877 116.041,878 20.442,880 659.182,882 670.953,883 161.438,884 61.29,887 423.76,888 297.483,889 11,891 115.272,892 12.595,893 33.571,895 670.953,896 104.234,897 118.494,900 670.953,901 65.749,902 62.118,904 94.861,905 670.953,906 104.234,907 118.494,909 0.586,910 0.355,911 0.187,912 0.101,913 32,914 15,915 0.087,916 9,918 1.034,919 5.065,920 446.02,922 30,923 215.329,928 32.672,929 14.151,930 7.086,932 104.234,933 1.539,934 8.547,938 2.192,941 893.681,942 52,946 27.466,950 0.523,952 98.465,953 113.915,954 0.205,955 0.4,956 0.665,957 0.818,958 0.835,959 0.835,960 5.286,961 1.89,962 6.351,963 6.477,964 4.92,965 5.112,966 2.566,967 7.262,968 4.857,969 6.457,970 1.879,971 7.986,972 5.532,973 4.745,974 5.007,975 1.803,976 8.658,977 4.672,978 7.781,979 1.779,980 9.741,981 5.194,982 6.666,983 7.084,984 3.2,985 11.731,986 6.556,987 9.138,988 1.497,989 11.572,990 5.104,991 7.334,992 7.805,993 3.183,994 13.961,995 7.224,996 10.535,997 1.418,998 13.454,999 3.858,1000 8.774,1001 9.426,1002 4.22,1003 16.678,1004 8.636,1005 11.957,1006 1.11,1007 15.371,1008 2.869,1009 9.786,1010 10.492,1011 4.559,1012 19.176,1013 9.646,1014 13.398,1015 1,1016 17.314,1017 2.372,1018 11.077,1019 11.967,1020 5.414,1021 21.818,1022 10.917,1023 3.573,1024 1,1025 19.275,1026 2.372,1027 12.226,1028 13.189,1029 5.92,1030 24.403,1031 12.06,1032 3.42,1033 14.304,1034 21.251,1035 2.297,1036 13.474,1037 14.613,1038 6.681,1039 27.032,1040 13.294,1041 3.139,1042 13.179,1043 23.237,1044 4.114,1045 14.679,1046 15.912,1047 7.266,1048 29.648,1049 14.491,1050 2.77,1051 10.975,1052 25.232,1053 3.647,1054 15.919,1055 17.319,1056 7.98,1057 32.279,1058 15.72,1059 2.56,1060 9.028,1061 27.233,1062 3.432,1063 17.147,1064 18.659,1065 8.604,1066 34.908,1067 16.94,1068 2.478,1069 7.678,1070 29.239,1071 2.94,1072 18.389,1073 20.06,1074 9.293,1075 37.544,1076 18.172,1077 2.173,1078 7.357,1079 31.25,1080 2.897,1081 19.629,1082 21.425,1083 9.936,1084 40.18,1085 19.404,1086 31871,1087 43994,1088 30.8,1089 61.188,1090 70.362,1091 72.584,1092 75.343,1093 69.983,1094 69.964,1095 76.534,1096 11.297,1097 211.523,1098 67.726,1099 5.596,1100 5.936,1101 7.574,1102 5.636,1103 5.573,1104 7.114,1105 3.348,1106 22.411,1107 5.553,1108 24.635,1109 1.497,1110 1.544,1111 1.603,1112 1.489,1113 1.489,1114 1.628,1115 0.24,1116 4.5,1117 1.441,1118 4.066,1119 4.117,1120 3.978,1121 3.938,1122 7.429,1123 3.939,1124 3.937,1125 3.981,1126 3.884,1127 3.799,1128 7.425,1129 3.814,1130 3.885,1131 3.936,1132 3.771,1133 3.765,1134 4.966,1135 3.757,1136 3.819,1137 3.872,1138 3.716,1139 3.688,1140 4.616,1141 3.688,1142 3.641,1143 3.714,1144 3.483,1145 3.504,1146 4.453,1147 3.483,1148 3.575,1149 3.642,1150 3.434,1151 3.363,1152 4.277,1153 3.373,1154 3.469,1155 3.541,1156 3.297,1157 3.263,1158 4.158,1159 3.257,1160 3.322,1161 3.392,1162 3.209,1163 3.108,1164 4.121,1165 3.116,1166 0.098,1167 0.084,1168 0.164,1169 0.097,1170 0.076,1171 4.596,1172 0.088,1173 3.936,1174 0.041,1175 7.717,1176 0.304,1177 4.566,1178 0.076,1179 3.573,1180 4.114,1181 1.94,1182 14.304,1183 3.553,1184 1.989,1185 1.944,1186 2.155,1187 2.138,1188 1.584,1189 2.146,1190 1.898,1191 1.851,1192 2.094,1193 2.064,1194 1.503,1195 2.07,1196 1.868,1197 1.824,1198 2.043,1199 2.02,1200 1.419,1201 2.03,1202 1.797,1203 1.749,1204 1.948,1205 1.959,1206 1.253,1207 1.959,1208 1.663,1209 1.594,1210 1.923,1211 1.84,1212 1.074,1213 1.877,1214 1.528,1215 1.462,1216 1.805,1217 1.77,1218 1.028,1219 1.778,1220 1.456,1221 1.382,1222 1.744,1223 1.695,1224 0.956,1225 1.72,1226 1.288,1227 1.21,1228 1.615,1229 1.527,1230 0.878,1231 1.549,1232 4.554,1233 5.905,1235 7.471,1237 9.136,1239 10.85,1241 10.54,1247 19.708,1249 5.874,1251 1.226,1252 6.968,1253 0.251,1257 55.948,1258 136.021,1259 265.89,1260 441.778,1261 543.592,1262 554.611,1263 554.611,1264 110.157,1265 8.882,1266 78.87,1267 78.87,1268 30,1269 13.167,1270 3.17,1271 2.585,1272 71.677,1273 248,1274 297,1275 0.139,1276 340.859,1277 609.53,1278 823.455,1279 105162,1281 30.614,1282 0.712,1283 0.644,1284 30.614,1285 27.705,1286 20.692,1287 0.44,1288 0.371,1289 17.242,1290 19.972,1291 16.676,1292 13.778,1293 20.692,1294 17.423,1295 18.768,1296 0.276,1297 0.212,1298 18.768,1299 14.385,1300 16.469,1301 0.177,1302 0.127,1303 16.469,1304 11.84,1305 13.528,1306 0.114,1307 0.074,1308 13.528,1309 8.831,1310 10.692,1311 0.07,1312 0.044,1313 10.692,1314 6.804,1315 0.223,1316 128.828,1317 0.18,1318 38.464,1319 0.366,1320 230,1321 515.432,1322 249.045,1323 489.844,1324 672.93,1325 462,1326 276,1327 493.198,1328 295.798,1329 496.053,1330 732.89,1331 468,1332 4.301}
{0 CHEMBL451783,1 1.394,2 12.029,3 6.214,4 38.611,5 144.087,6 6.176,7 0.282,8 4.429,9 4.571,10 3.849,11 3.903,12 5.296,13 3.855,14 5.067,15 5.284,16 4.204,17 4.344,18 5.847,19 4.26,20 5.383,21 5.642,22 4.337,23 4.556,24 6.108,25 4.438,26 5.479,27 5.756,28 4.293,29 4.583,30 6.214,31 4.44,32 5.483,33 5.769,34 4.258,35 4.568,36 6.199,37 4.418,38 5.412,39 5.687,40 4.258,41 4.547,42 6.136,43 4.403,44 5.397,45 5.67,46 4.228,47 4.515,48 6.123,49 4.38,50 5.362,51 5.62,52 4.202,53 4.469,54 6.113,55 4.349,56 0.083,57 1.146,58 19.874,59 7.407,60 12.382,61 11.04,62 0.426,63 1.894,64 37.66,65 12.565,66 28.85,67 19.067,68 0.52,69 2.426,70 50.753,71 16.134,72 37.567,73 25.724,74 0.623,75 2.552,76 55.715,77 17.454,78 48.577,79 27.769,80 0.689,81 2.478,82 55.704,83 17.549,84 52.086,85 27.839,86 0.632,87 2.419,88 51.965,89 16.88,90 43.989,91 26.615,92 0.54,93 2.369,94 51.469,95 15.706,96 41.235,97 25.355,98 0.602,99 2.24,100 50.423,101 14.987,102 41.499,103 23.681,104 14,105 54,106 0.216,107 0.428,108 0.615,109 0.721,110 0.775,111 0.795,112 3.589,113 1.064,114 -5.7,115 -5.57,116 -5.19,119 35.9,121 12,124 3,125 2,127 3,138 2,139 1,140 2,142 1,143 1,146 1,163 9,165 3,166 11,169 1,171 3,172 10,175 1,176 7,181 3,183 6,186 2,187 10,190 2,192 3,194 6,197 2,198 3,201 1,205 8,208 4,209 8,212 1,214 2,217 10,220 1,221 8,227 6,231 16,234 1,238 6,242 11,249 4,252 2332,253 24.325,254 24.325,255 24.325,256 24.325,257 24.325,258 23.118,259 36.077,260 14.402,261 25.049,262 19.157,263 19.157,264 19.157,265 19.157,266 19.157,267 17.083,268 62.082,269 6.709,270 20.173,271 4.892,272 3.521,273 2.315,274 1.632,275 1.285,276 1.157,277 4.298,283 1,284 920,285 3.317,287 104.254,288 294.979,289 116.928,292 160.806,295 1.858,296 22.19,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 74.5,308 421,309 4.609,310 3.328,311 6.628,312 4.14,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.091,319 3.226,320 6.395,321 3.93,322 2.984,323 3.578,324 0.86,325 9.686,326 2.821,327 3.973,328 3.085,329 6.137,330 3.709,331 2.786,332 3.125,333 0.8,334 9.045,335 2.567,336 3.791,337 2.865,338 5.992,339 3.565,340 2.622,341 2.951,342 0.8,343 8.483,344 2.476,345 3.554,346 2.545,347 5.445,348 3.382,349 2.417,350 2.835,351 0.4,352 7.167,353 2.324,354 3.318,355 2.271,356 5.248,357 3.177,358 2.201,359 2.43,361 6.397,362 2.137,363 3.252,364 2.226,365 5.073,366 2.927,367 1.978,368 2.282,370 5.957,371 1.872,372 2.877,373 1.965,374 4.562,375 2.622,376 1.659,377 1.957,379 4.585,380 1.601,381 2.68,382 1.69,383 4.342,384 2.52,385 1.568,386 1.7,388 3.983,389 1.485,390 2.58,391 1.607,392 3.862,393 2.388,394 1.466,395 1.583,397 3.316,398 1.344,399 2.276,400 1.354,401 3.724,402 2.247,403 1.247,404 1.27,406 2.989,407 1.247,408 2.247,409 1.247,410 3.465,411 2.164,412 1.218,413 1.247,415 2.606,416 1.146,417 2,418 1.077,419 3.414,420 1.984,421 1,422 1,424 2.275,425 0.983,426 1.917,427 1.035,428 3.414,429 1.637,430 0.729,431 0.836,433 1.644,434 0.656,435 1.618,436 0.979,437 3.097,438 1.618,439 0.618,440 0.618,442 1.372,443 0.618,444 16.667,445 0.476,446 0.687,447 0.02,448 35.5,449 1.014,450 12,451 0.343,452 23.5,453 0.671,454 43.649,455 1.247,456 40.933,457 0.525,458 25.225,459 0.721,460 5.743,461 0.164,462 11.414,463 0.326,464 0.09,466 0.318,472 0.917,473 1.626,474 0.968,475 1.363,476 0.806,477 1.197,478 1.201,479 1.134,480 1.027,481 1.049,482 0.861,483 1.024,484 0.901,485 1.191,486 0.954,487 1.033,488 0.717,489 0.994,490 0.925,491 1.075,492 1.016,493 1.032,494 0.988,495 1.024,496 0.961,497 0.977,498 0.946,499 0.909,500 1.103,501 0.919,502 0.739,503 1.057,504 0.971,505 1.017,506 0.904,507 1.012,508 1.072,509 1.091,510 1.056,511 1.013,512 1.204,513 1.015,514 1.6,515 1.032,516 1.183,517 1.009,518 1.607,519 1.037,520 6,521 0.25,522 3.778,523 2.028,524 2.116,525 1.205,526 0.918,527 0.689,528 0.37,529 0.298,530 18127,531 31426,532 2.141,533 55.1,534 12,535 18,538 1,540 8,541 4,542 1.772,543 2.039,544 3.551,545 -0.401,550 108.716,551 1.394,552 2.764,553 3.97,554 4.654,555 5,556 5.128,557 2.94,558 4.729,559 5.096,560 3.76,561 2237.39,562 8.979,563 34668.3,568 490.261,569 1.271,570 5.076,571 0.154,572 0.007,573 0.07,574 0.034,575 0.038,576 0.022,577 0.017,578 0.013,579 0.007,580 0.007,581 0.37,582 0.17,583 0.63,584 0.686,585 188.074,586 0.035,587 -0.266,588 0.093,589 -0.108,590 0.133,591 -0.016,592 0.012,593 0.048,594 0.03,595 0.03,596 0.17,597 0.026,598 0.056,599 -0.1,600 0.057,601 -0.013,602 0.191,603 0.019,604 0.038,605 -0.02,606 -0.012,607 -0.052,608 0.073,609 -0.039,610 0.05,611 0.029,612 0.052,613 0.06,614 0.025,615 0.056,616 0.129,617 0.003,618 0.022,619 -0.018,620 0.062,621 -0.012,622 -0.055,623 -0.02,624 -0.042,625 -0.034,626 -0.115,627 -0.032,628 -0.182,629 0.037,630 -0.126,631 -0.036,632 -0.24,633 -0.066,634 0.957,635 2.121,636 0.8,637 41.504,638 0.987,639 1.138,640 4.469,641 19.973,642 0.621,643 3.689,644 4.007,645 4.317,646 4.585,647 4.836,648 5.03,649 5.193,650 5.371,651 5.553,652 5.659,653 7.434,654 0.571,655 481.76,656 3.689,657 5.231,658 6.094,659 6.973,660 7.852,661 8.74,662 9.627,663 10.52,664 11.413,665 12.31,666 6.4,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 78,705 11,706 1,707 39,709 82,710 28,711 8,712 4,713 2,717 5,718 6,724 15,727 15,729 8,730 20,747 43,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,775 1,776 3,777 1,780 1,792 1,796 4,801 3,805 35,810 14,811 1,812 2,814 3,815 2,825 2.6,830 2,832 17.167,833 14.55,834 7.833,835 5.367,836 2.337,837 1.28,838 0.959,839 8.314,840 10.683,841 3.818,842 4.337,843 4.902,844 5.473,845 6.077,846 6.506,847 6.927,848 7.33,849 7.703,850 7.794,851 0.875,852 60,853 13.063,854 5.5,855 7.343,856 26.483,857 22.738,859 1.843,860 64.5,864 494.386,865 103.172,866 57.83,868 22,871 103.172,872 516.386,873 57.83,874 30.162,875 34.626,876 18.952,877 51.582,878 43.452,879 4.227,880 494.386,882 494.386,883 161.002,884 22,887 353.133,888 163.253,891 41.793,892 67.627,893 51.582,895 494.386,896 79.83,897 103.172,900 494.386,901 54.057,902 55.364,903 18.011,904 55.571,905 494.386,906 79.83,907 103.172,909 0.573,910 0.348,911 0.19,912 0.101,913 26,914 11,915 0.085,916 7,917 1,918 1.071,919 4.523,920 343.391,921 0.071,922 28,923 165.525,928 25.044,929 11.619,930 5.703,931 1.917,932 79.83,933 4.026,934 10.149,938 3.198,940 18.011,941 677.388,942 44.5,952 76.952,953 88.799,954 0.222,955 0.44,956 0.632,957 0.74,958 0.795,959 0.816,960 5.086,961 1.659,962 6.066,963 5.957,964 4.691,965 5.024,966 1.824,967 6.88,968 4.591,969 6.235,970 1.568,971 7.624,972 4.585,973 4.205,974 4.832,975 0.57,976 7.771,977 4.029,978 7.525,979 1.466,980 9.283,981 3.983,982 6.286,983 7.145,984 1.426,985 10.882,986 6.084,987 8.852,988 1.247,989 11.001,990 3.316,991 6.661,992 7.857,993 0.479,994 12.591,995 6.378,996 10.218,997 1.218,998 12.758,999 2.989,1000 8.157,1001 9.666,1002 1.153,1003 15.201,1004 7.849,1005 11.608,1006 1,1007 14.54,1008 2.606,1009 8.927,1010 10.797,1011 0.346,1012 17.247,1013 8.546,1014 13.019,1015 0.729,1016 16.339,1017 2.275,1018 10.191,1019 12.423,1020 0.931,1021 19.682,1022 9.779,1023 3.184,1024 0.618,1025 18.151,1026 1.644,1027 11.149,1028 13.755,1029 0.237,1030 21.881,1031 10.673,1032 2.984,1033 10.706,1034 19.973,1035 1.372,1036 12.321,1037 15.309,1038 0.742,1039 24.25,1040 11.808,1041 2.786,1042 9.686,1043 21.802,1044 4.548,1045 13.366,1046 16.737,1047 0.158,1048 26.522,1049 12.799,1050 2.622,1051 9.045,1052 23.637,1053 3.578,1054 14.505,1055 18.264,1056 0.583,1057 28.869,1058 13.898,1059 2.417,1060 8.483,1061 25.477,1062 3.125,1063 15.593,1064 19.737,1065 0.104,1066 31.178,1067 14.937,1068 2.201,1069 7.167,1070 27.322,1071 2.951,1072 16.722,1073 21.253,1074 0.452,1075 33.521,1076 16.025,1077 1.978,1078 6.397,1079 29.17,1080 2.835,1081 17.832,1082 22.748,1083 0.068,1084 35.849,1085 17.09,1086 16968,1087 22625,1088 26.641,1089 48.404,1090 57.319,1091 58.227,1092 59.345,1093 57.557,1094 57.561,1095 66.25,1096 7.44,1097 164.894,1098 54.661,1099 5.609,1100 5.328,1101 6.426,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 13.978,1109 1.47,1110 1.493,1111 1.522,1112 1.476,1113 1.476,1114 1.699,1115 0.191,1116 4.228,1117 1.402,1118 4.097,1119 4.134,1120 4.066,1121 3.982,1122 5.085,1123 3.998,1124 3.928,1125 3.985,1126 3.816,1127 3.798,1128 4.763,1129 3.793,1130 3.849,1131 3.908,1132 3.708,1133 3.732,1134 4.499,1135 3.718,1136 3.769,1137 3.83,1138 3.643,1139 3.632,1140 4.409,1141 3.625,1142 3.515,1143 3.561,1144 3.441,1145 3.298,1146 4.332,1147 3.329,1148 3.343,1149 3.432,1150 3.196,1151 3.143,1152 4.198,1153 3.143,1154 3.278,1155 3.364,1156 3.099,1157 3.125,1158 4.078,1159 3.097,1160 3.274,1161 3.357,1162 3.057,1163 3.043,1164 3.999,1165 3.044,1166 0.118,1167 0.085,1168 0.17,1169 0.106,1170 0.082,1171 4.609,1172 0.117,1173 3.328,1174 0.022,1175 6.628,1176 0.275,1177 4.14,1178 0.078,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.008,1185 1.984,1186 2.078,1187 2.143,1188 1.43,1189 2.123,1190 1.84,1191 1.781,1192 2.022,1193 2.017,1194 1.342,1195 2.024,1196 1.717,1197 1.658,1198 1.975,1199 1.884,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.937,1205 1.873,1206 1.211,1207 1.905,1208 1.587,1209 1.521,1210 1.86,1211 1.788,1212 1.203,1213 1.801,1214 1.577,1215 1.507,1216 1.824,1217 1.751,1218 1.16,1219 1.793,1220 1.367,1221 1.326,1222 1.6,1223 1.627,1224 0.825,1225 1.616,1226 1.196,1227 1.122,1228 1.576,1229 1.525,1230 0.699,1231 1.54,1232 4.369,1233 5.687,1234 2.398,1235 7.2,1236 4.595,1237 8.807,1238 6.529,1239 10.468,1241 5.712,1247 17.516,1248 3.814,1249 11.209,1251 1.909,1252 5.051,1257 44.546,1258 108.716,1259 215.61,1260 309.693,1261 362.977,1262 389.997,1263 399.997,1264 55.404,1265 8.347,1266 62.75,1267 62.75,1268 30,1269 12.835,1270 3.585,1271 2.7,1272 51.956,1273 154,1274 160,1275 0.162,1276 269.716,1277 468.74,1278 649.867,1279 51178,1281 24.2,1282 0.691,1283 0.625,1284 24.2,1285 21.892,1286 17.157,1287 0.44,1288 0.355,1289 13.639,1290 16.468,1291 13.294,1292 11.035,1293 17.157,1294 13.832,1295 14.895,1296 0.276,1297 0.199,1298 14.895,1299 10.751,1300 13.299,1301 0.18,1302 0.116,1303 13.299,1304 8.609,1305 11.082,1306 0.114,1307 0.066,1308 11.082,1309 6.395,1310 8.846,1311 0.071,1312 0.034,1313 8.846,1314 4.299,1315 0.253,1316 107.592,1317 0.194,1318 32.034,1319 0.45,1320 186,1321 428.384,1322 202.969,1323 407.063,1324 575.32,1325 388,1326 221,1327 436.978,1328 239.58,1329 442.159,1330 653,1331 415,1332 7.745}
{0 CHEMBL452864,1 1.456,2 9,3 5.336,4 28.475,5 110.629,6 6.885,8 4.08,9 4.218,10 3.682,11 3.676,12 4.863,13 3.567,14 4.72,15 4.926,16 4.055,17 4.104,18 5.451,19 3.955,20 5.012,21 5.297,22 3.988,23 4.204,24 5.634,25 3.99,26 4.934,27 5.221,28 3.978,29 4.141,30 5.564,31 3.87,32 4.731,33 4.995,34 3.913,35 4.016,36 5.427,37 3.791,38 4.692,39 4.912,40 3.888,41 4.046,42 5.395,43 3.866,44 4.912,45 5.165,46 3.861,47 4.186,48 5.547,49 4.002,50 5.099,51 5.378,52 3.933,53 4.316,54 5.658,55 4.102,56 0.066,57 0.861,58 14.933,59 5.964,60 5.667,61 8.108,62 0.278,63 1.498,64 32.312,65 10.262,66 15.861,67 14.465,68 0.299,69 1.74,70 40.838,71 13.512,72 20.25,73 18.668,74 0.304,75 1.637,76 48.105,77 14.717,78 21.278,79 17.673,80 0.327,81 1.421,82 39.447,83 11.845,84 20.75,85 14.375,86 0.244,87 1.423,88 35.675,89 10.923,90 15.361,91 14.117,92 0.275,93 1.627,94 36.086,95 13.037,96 18.639,97 17.784,98 0.264,99 1.859,100 41.956,101 15.554,102 17.167,103 21.46,105 37,106 0.245,107 0.448,108 0.632,109 0.745,110 0.809,111 0.822,112 3.267,113 1.275,114 -5.08,115 -4.98,116 -4.66,119 34.5,121 10,125 3,127 2,136 1,137 1,152 2,163 8,165 1,166 5,169 1,171 3,172 8,176 3,181 2,183 4,187 3,192 3,194 5,197 1,198 3,201 1,203 2,205 4,209 2,214 2,217 6,220 1,221 4,224 1,227 8,231 4,238 12,242 6,249 8,252 1073,253 17.568,254 17.568,255 17.568,256 17.568,257 17.568,258 16.816,259 18.175,260 10.805,261 18.24,262 13.898,263 13.898,264 13.898,265 13.898,266 13.898,267 12.685,268 23.132,269 5.205,270 15.055,271 4.326,272 3.124,273 2.035,274 1.364,275 0.982,276 0.909,277 3.971,282 1,283 1,284 499,285 3.082,287 122.836,288 177.963,290 100.419,295 1.2,296 11.578,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 52,308 225,309 4.313,310 4.606,311 6.533,312 3.97,313 3.077,314 3.6,315 3.836,316 10.284,317 2.749,318 3.96,319 4.494,320 5.672,321 3.65,322 2.73,323 3.194,324 3.659,325 7.981,326 2.534,327 3.482,328 3.194,329 5.33,330 3.45,331 2.473,332 2.627,333 1.213,334 6.953,335 2.415,336 3.455,337 2.982,338 5.139,339 3.055,340 2.158,341 2.483,342 0.823,343 6.087,344 1.906,345 3.199,346 2.636,347 4.876,348 2.863,349 1.938,350 2.213,351 0.506,352 5.579,353 1.779,354 2.516,355 2.589,356 4.141,357 2.449,358 1.463,359 1.484,360 0.268,361 3.6,362 1.44,363 2.474,364 2.345,365 3.618,366 2.337,367 1.414,368 1.471,369 0.059,370 3.098,371 1.309,372 2.391,373 1.598,374 3.571,375 2.26,376 1.376,377 1.387,379 2.981,380 1.176,381 2.017,382 1.532,383 3.415,384 2,385 1,386 1,388 2.201,389 1,390 2,391 1.513,392 3.247,393 2,394 1,395 1,397 2.136,398 1,399 2,400 1.073,401 3.247,402 1.832,403 0.926,404 0.968,406 2.136,407 0.832,408 1.893,409 1,410 3.203,411 1.52,412 0.683,413 0.766,415 1.613,416 0.557,417 1.365,418 1,419 2.836,420 1.001,421 0.166,422 0.181,424 0.41,425 0.137,426 1.134,427 0.756,428 2.798,429 0.943,435 0.588,436 0.447,437 2.306,438 0.469,439 -0.458,440 -0.466,442 -1.08,443 -0.412,444 12.767,445 0.511,446 0.376,447 0.015,448 20.25,449 0.81,450 4,451 0.16,452 16.25,453 0.65,454 32.264,455 1.291,456 28.633,457 0.521,458 7.88,459 0.315,460 2.384,461 0.095,462 9.998,463 0.4,466 0.227,472 0.934,473 1.372,474 0.824,475 1.013,476 0.813,477 1.073,478 0.925,479 1.326,480 0.999,481 1.175,482 0.893,483 1.137,484 1.128,485 0.961,486 0.8,487 0.825,488 1.112,489 0.93,490 1.261,491 1.007,492 1.209,493 1.07,494 1.296,495 0.963,496 1.353,497 0.961,498 1.431,499 1.169,500 1.41,501 0.915,502 1.359,503 1.298,504 1.46,505 1.368,506 1.304,507 1.144,508 0.915,509 1.018,510 0.951,511 1.008,512 0.857,513 1.082,514 0.866,515 0.921,516 0.784,517 0.863,518 0.769,519 1.014,520 3.5,521 0.039,522 1.778,523 1.069,524 0.632,525 0.261,526 0.379,527 0.238,528 0.202,529 0.12,530 7788,531 14126,532 2.204,533 54.5,534 12,535 8,536 1,538 1,540 8,542 1.685,543 2.174,544 3.167,545 -0.317,550 80.057,551 1.456,552 2.657,553 3.746,554 4.417,555 4.8,556 4.872,557 2.457,558 3.684,559 4.618,560 3.35,561 1004.87,562 8.011,563 12809.5,568 317.975,569 0.795,570 4.619,571 0.125,572 0.003,573 0.048,574 0.033,575 0.023,576 0.009,577 0.012,578 0.007,579 0.006,580 0.004,581 0.271,582 0.17,583 1,585 120.83,586 0.052,587 -0.131,588 0.102,589 0.037,590 0.12,591 0.032,592 0.229,593 -0.187,594 0.013,595 -0.143,596 0.18,597 -0.104,598 -0.046,599 0.011,600 0.076,601 0.071,602 -0.025,603 0.023,604 -0.089,605 0.016,606 0.04,607 0.06,608 -0.079,609 0.026,610 0.018,611 0.153,612 -0.02,613 0.062,614 -0.014,615 0.097,616 -0.12,617 -0.139,618 -0.182,619 -0.18,620 -0.103,621 -0.099,622 0.011,623 -0.004,624 -0.103,625 -0.087,626 0.031,627 -0.086,628 -0.075,629 0.019,630 -0.016,631 0.004,632 -0.083,633 -0.036,634 0.789,635 2.162,636 0.8,637 19.696,638 0.983,639 1.131,640 3.847,641 14.803,642 0.658,643 3.367,644 3.638,645 3.892,646 4.143,647 4.234,648 4.22,649 4.344,650 4.394,651 4.489,652 4.585,653 6.019,654 0.587,655 378.67,656 3.367,657 4.875,658 5.707,659 6.558,660 7.403,661 8.261,662 9.112,663 9.973,664 10.829,665 11.693,666 7.3,668 1,669 1,675 2,703 55,705 3,707 28,709 58,710 19,717 4,718 5,724 12,727 12,729 4,730 15,733 3,739 1,740 2,741 3,747 30,748 4,749 1,750 6,751 2,755 4,760 0.75,775 2,776 2,778 1,788 1,791 1,792 1,796 3,797 2,799 2,805 25,810 13,811 1,813 2,814 2,815 1,832 11.5,833 9.433,834 5.556,835 3.96,836 0.885,837 1.126,838 0.974,839 6.57,840 7.883,841 3.466,842 3.85,843 4.205,844 4.575,845 4.762,846 4.905,847 5.118,848 5.165,849 5.333,850 5.509,851 0.833,852 32,853 9.364,854 3.95,855 7.233,856 19.349,857 16.854,859 1.733,860 43.333,861 0.001,864 341.362,865 106.88,866 54.706,870 64.439,871 42.441,872 341.362,873 54.706,875 38.298,876 18.011,877 2.757,878 36.695,879 13.157,880 394.03,882 341.362,883 97.147,885 64.439,887 247.193,888 94.169,891 85.163,892 9.228,893 2.757,894 64.439,895 341.362,896 54.706,897 106.88,900 341.362,901 99.038,902 10.966,903 18.011,904 33.571,905 341.362,906 54.706,907 106.88,909 0.564,910 0.324,911 0.181,912 0.089,913 18,914 6,915 0.103,916 6,917 1,918 1.1,919 3.924,920 202.57,921 0.1,922 20,923 108.096,924 2,928 18.095,929 9.077,930 4.911,932 54.706,940 18.011,941 502.948,942 31,948 2.282,949 9.722,950 3.809,952 54.047,953 62.231,954 0.252,955 0.46,956 0.648,957 0.764,958 0.83,959 0.843,960 4.718,961 1.376,962 5.638,963 3.098,964 4.317,965 4.533,966 4.092,967 6.375,968 4.161,969 5.814,970 1,971 7.136,972 2.981,973 3.611,974 4.007,975 2.648,976 7.096,977 3.346,978 7.063,979 1,980 8.736,981 2.201,982 5.826,983 6.351,984 6.599,985 10.205,986 5.507,987 8.343,988 0.926,989 10.4,990 2.136,991 6.043,992 6.746,993 5.667,994 11.861,995 5.579,996 9.666,997 0.683,998 12.109,999 2.136,1000 7.622,1001 8.481,1002 9.202,1003 14.431,1004 7.125,1005 11.013,1006 0.166,1007 13.85,1008 1.613,1009 8.285,1010 9.304,1011 8.597,1012 16.475,1013 7.628,1014 12.38,1016 15.616,1017 0.41,1018 9.59,1019 10.783,1020 11.815,1021 18.873,1022 8.892,1023 3.077,1024 -0.458,1025 17.4,1027 10.476,1028 11.819,1029 11.451,1030 21.08,1031 9.618,1032 2.73,1033 10.284,1034 19.199,1035 -1.08,1036 11.661,1037 13.184,1038 14.433,1039 23.426,1040 10.744,1041 2.473,1042 7.981,1043 21.011,1044 3.6,1045 12.659,1046 14.331,1047 14.259,1048 25.702,1049 11.588,1050 2.158,1051 6.953,1052 22.832,1053 3.194,1054 13.794,1055 15.643,1056 17.056,1057 28.032,1058 12.645,1059 1.938,1060 6.087,1061 24.662,1062 2.627,1063 14.847,1064 16.847,1065 17.037,1066 30.337,1067 13.553,1068 1.463,1069 5.579,1070 26.499,1071 2.483,1072 15.964,1073 18.136,1074 19.682,1075 32.665,1076 14.576,1077 1.414,1078 3.6,1079 28.342,1080 2.213,1081 17.046,1082 19.371,1083 19.794,1084 34.983,1085 15.521,1086 7212,1087 9927,1088 19.761,1089 36.216,1090 41.399,1091 45.554,1092 41.252,1093 40.76,1094 40.81,1095 44.752,1096 20.727,1097 110.115,1098 37.671,1099 5.313,1100 6.606,1101 6.335,1102 5.143,1103 5.077,1104 6.189,1105 7.531,1106 16.944,1107 4.749,1109 1.479,1110 1.627,1111 1.473,1112 1.456,1113 1.458,1114 1.598,1115 0.74,1116 3.933,1117 1.345,1118 3.943,1119 3.998,1120 4.117,1121 3.841,1122 4.756,1123 3.812,1124 3.87,1125 3.924,1126 3.898,1127 3.756,1128 4.648,1129 3.736,1130 3.831,1131 3.892,1132 3.686,1133 3.718,1134 4.273,1135 3.702,1136 3.473,1137 3.53,1138 3.647,1139 3.39,1140 4.138,1141 3.33,1142 3.309,1143 3.379,1144 3.266,1145 3.159,1146 4.064,1147 3.145,1148 3.124,1149 3.213,1150 3.096,1151 2.948,1152 3.667,1153 2.929,1154 3.111,1155 3.206,1156 2.927,1157 2.941,1158 3.474,1159 2.91,1160 3.111,1161 3.206,1162 2.866,1163 2.941,1164 3.474,1165 2.91,1166 0.154,1167 0.164,1168 0.233,1169 0.142,1170 0.11,1171 4.313,1172 0.129,1173 4.606,1174 0.137,1175 6.533,1176 0.367,1177 3.97,1178 0.098,1179 3.077,1180 3.6,1181 3.836,1182 10.284,1183 2.749,1184 1.887,1185 1.831,1186 2.099,1187 2.043,1188 1.479,1189 2.066,1190 1.852,1191 1.795,1192 2.082,1193 2.001,1194 1.467,1195 2.032,1196 1.609,1197 1.571,1198 1.765,1199 1.757,1200 1.076,1201 1.778,1202 1.404,1203 1.337,1204 1.602,1205 1.607,1206 0.913,1207 1.629,1208 1.304,1209 1.231,1210 1.536,1211 1.539,1212 0.825,1213 1.537,1214 1.176,1215 1.148,1216 1.513,1217 1.376,1218 0.825,1219 1.429,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.823,1225 1.429,1226 1.153,1227 1.064,1228 1.459,1229 1.363,1230 0.786,1231 1.4,1232 4.043,1233 5.323,1234 3.045,1235 6.786,1236 5.352,1237 8.331,1238 7.391,1239 9.92,1247 16.435,1248 3.817,1250 3.7,1251 1.183,1252 2.385,1257 32.308,1258 80.057,1259 146.15,1260 206.026,1261 242.955,1262 263.975,1263 267.975,1264 33.134,1265 6.999,1266 41.68,1267 95.22,1268 22,1269 12.243,1270 2,1271 2,1272 35.693,1273 85,1274 81,1275 0.188,1276 204.108,1277 360.92,1278 489.784,1279 9574,1281 16.899,1282 0.676,1283 0.669,1284 17.606,1285 16.716,1286 12.382,1287 0.442,1288 0.425,1289 10.117,1290 11.206,1291 9.767,1292 8.052,1293 13.29,1294 11.897,1295 10.615,1296 0.287,1297 0.252,1298 11.743,1299 9.338,1300 8.96,1301 0.187,1302 0.156,1303 10.307,1304 7.5,1305 7.615,1306 0.123,1307 0.1,1308 9.209,1309 6.203,1310 5.636,1311 0.083,1312 0.067,1313 7.125,1314 4.532,1315 0.293,1316 85.183,1317 0.225,1318 24.358,1319 0.522,1320 130,1321 268.989,1322 185.477,1323 303.671,1324 425.79,1325 290,1326 150,1327 289.528,1328 197.993,1329 318.15,1330 471.82,1331 301,1332 5.523}
{0 CHEMBL453594,1 1.497,2 12.686,3 5.184,4 26.878,5 139.707,6 6.476,7 0.282,8 4.401,9 4.538,10 3.856,11 3.865,12 5.305,13 3.83,14 5.041,15 5.252,16 4.218,17 4.301,18 5.896,19 4.235,20 5.365,21 5.62,22 4.36,23 4.523,24 6.181,25 4.424,26 5.448,27 5.721,28 4.277,29 4.533,30 6.252,31 4.398,32 5.408,33 5.694,34 4.235,35 4.485,36 6.151,37 4.352,38 5.316,39 5.576,40 4.263,41 4.467,42 6.127,43 4.35,44 5.337,45 5.597,46 4.251,47 4.458,48 6.172,49 4.351,50 5.325,51 5.569,52 4.217,53 4.437,54 6.169,55 4.332,56 0.042,57 1.169,58 18.545,59 7.097,60 9.168,61 10.307,62 0.424,63 1.934,64 36.479,65 12.038,66 29.383,67 17.804,68 0.591,69 2.496,70 50.603,71 15.694,72 47.909,73 24.303,74 0.744,75 2.516,76 55.072,77 16.732,78 60.636,79 26.257,80 0.697,81 2.288,82 52.503,83 15.878,84 54.009,85 25.36,86 0.608,87 2.313,88 47.871,89 15.121,90 44.622,91 23.563,92 0.607,93 2.371,94 49.527,95 14.623,96 52.204,97 22.908,98 0.729,99 2.252,100 49.36,101 14.441,102 55.983,103 22.188,104 14,105 54,106 0.234,107 0.457,108 0.652,109 0.77,110 0.791,111 0.795,112 3.589,113 1.037,114 -5.6,115 -5.47,116 -5.1,119 36,121 10,124 2,125 4,127 3,138 2,139 1,140 2,142 1,143 1,146 1,163 6,165 3,166 11,169 1,171 3,172 8,175 1,176 5,181 3,183 6,186 2,187 10,190 2,192 3,194 6,197 2,198 3,201 1,205 4,208 4,209 8,212 1,214 2,217 10,220 1,221 6,227 6,231 16,234 1,238 6,242 7,249 4,252 2351,253 24.273,254 24.273,255 24.273,256 24.273,257 24.273,258 23.065,259 37.704,260 14.346,261 25.065,262 19.166,263 19.166,264 19.166,265 19.166,266 19.166,267 17.092,268 62.818,269 6.708,270 20.318,271 4.732,272 3.306,273 2.053,274 1.3,275 1.167,276 1.14,277 4.3,283 1,284 970,285 2.915,288 409.671,289 116.382,292 159.23,295 1.959,296 31.764,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 76,308 444,309 4.609,310 3.326,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.18,320 6.19,321 3.848,322 2.909,323 3.578,324 0.86,325 9.211,326 2.732,327 3.9,328 3.069,329 6.099,330 3.682,331 2.758,332 3.121,333 0.8,334 8.918,335 2.547,336 3.755,337 2.876,338 5.982,339 3.548,340 2.609,341 2.861,342 0.8,343 8.456,344 2.45,345 3.553,346 2.767,347 5.445,348 3.374,349 2.413,350 2.82,351 0.4,352 7.165,353 2.303,354 3.322,355 2.539,356 5.074,357 3.225,358 2.286,359 2.43,361 6.105,362 2.132,363 3.307,364 2.23,365 5.047,366 2.928,367 1.979,368 2.324,370 5.958,371 1.873,372 2.908,373 1.965,374 4.605,375 2.635,376 1.692,377 1.989,379 4.772,380 1.605,381 2.745,382 1.856,383 4.416,384 2.584,385 1.625,386 1.777,388 4.218,389 1.542,390 2.583,391 1.607,392 4.183,393 2.406,394 1.485,395 1.585,397 3.538,398 1.356,399 2.32,400 1.454,401 3.725,402 2.247,403 1.247,404 1.311,406 3.314,407 1.247,408 2.247,409 1.247,410 3.465,411 2.145,412 1.226,413 1.247,415 2.606,416 1.12,417 2,418 1.077,419 3.414,420 1.984,421 1,422 1,424 2.275,425 0.983,426 2,427 1.077,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.91,436 1.033,437 3.414,438 1.616,439 0.716,440 0.826,442 1.606,443 0.639,444 16.452,445 0.47,446 0.704,447 0.02,448 35.75,449 1.021,450 12,451 0.343,452 23.75,453 0.679,454 42.318,455 1.209,456 41.148,457 0.549,458 26.327,459 0.752,460 6.038,461 0.173,462 11.102,463 0.317,464 0.078,466 0.322,467 1,472 0.771,473 1.487,474 0.894,475 1.357,476 0.587,477 1.178,478 1.072,479 1.117,480 1.004,481 1.062,482 0.799,483 1.028,484 0.981,485 1.136,486 0.959,487 1,488 0.977,489 0.969,490 0.875,491 1.002,492 1.036,493 1.05,494 0.891,495 1.058,496 0.734,497 0.834,498 0.867,499 0.854,500 0.515,501 0.871,502 0.722,503 1.037,504 0.972,505 1.048,506 0.712,507 1.041,508 1.145,509 1.083,510 1.092,511 1.005,512 1.209,513 1.018,514 1.396,515 1.001,516 1.236,517 1.057,518 1.23,519 1.103,520 6.5,521 0.232,522 3.778,523 1.75,524 2.018,525 1.337,526 1.009,527 0.612,528 0.392,529 0.3,530 18194,531 37983,532 2.141,533 53.3,534 8,535 19,538 1,540 4,541 8,542 1.772,543 2.039,544 3.591,545 -0.373,550 112.293,551 1.497,552 2.923,553 4.176,554 4.929,555 5.062,556 5.089,557 3.065,558 4.729,559 5.095,560 3.789,561 2254.61,562 8.975,563 34896.4,568 467.161,569 1.271,570 5.076,571 0.167,572 0.006,573 0.07,574 0.029,575 0.038,576 0.025,577 0.019,578 0.012,579 0.008,580 0.007,581 0.38,582 0.17,583 0.63,584 0.686,585 188.292,586 0.002,587 -0.238,588 0.084,589 -0.111,590 0.017,591 -0.018,592 -0.032,593 0.005,594 0.009,595 0.01,596 0.031,597 0.01,598 -0.017,599 -0.056,600 0.037,601 0.017,602 0.008,603 0.037,604 0.019,605 0.004,606 -0.053,607 -0.073,608 -0.011,609 -0.075,610 0.037,611 0.03,612 0.093,613 0.098,614 0.011,615 0.104,616 0.069,617 -0.03,618 -0.001,619 -0.044,620 -0.004,621 -0.036,622 -0.11,623 0.002,624 -0.082,625 -0.021,626 -0.131,627 -0.037,628 -0.163,629 0.059,630 -0.202,631 -0.07,632 -0.165,633 -0.127,634 1.952,635 5.591,636 0.829,637 42.062,638 0.994,639 1.143,640 4.37,641 19.1,642 0.621,643 3.689,644 4.007,645 4.304,646 4.575,647 4.883,648 5.056,649 5.215,650 5.389,651 5.583,652 5.7,653 7.504,654 0.579,655 485.72,656 3.689,657 5.231,658 6.089,659 6.967,660 7.843,661 8.73,662 9.615,663 10.508,664 11.399,665 12.295,666 6.7,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 75,705 11,706 1,707 39,709 79,710 27,711 8,712 4,713 2,717 5,718 6,724 13,727 13,729 8,730 19,732 1,745 1,747 40,748 8,749 1,750 8,755 5,760 0.8,761 2,771 1,776 4,777 1,780 1,792 1,796 4,801 2,803 1,805 35,810 14,811 1,812 2,814 3,815 2,824 1,825 2.7,830 2,832 17.167,833 13.693,834 7.806,835 5.098,836 2.336,837 1.277,838 0.968,839 8.263,840 10.77,841 3.818,842 4.337,843 4.894,844 5.469,845 6.091,846 6.512,847 6.931,848 7.332,849 7.707,850 7.801,851 1,852 61,853 13.098,854 5.594,855 7.514,856 26.129,857 22.42,859 2.014,860 70.5,864 459.073,865 96.097,866 57.83,868 22,869 14.96,871 96.097,872 481.073,873 72.791,874 21.766,875 35.947,876 18.952,877 51.582,878 43.452,879 19.187,880 459.073,882 459.073,883 153.927,884 36.96,887 332.78,888 163.253,891 43.115,892 59.231,893 51.582,895 474.033,896 79.83,897 96.097,900 461.252,901 53.199,902 46.967,903 18.011,904 70.531,905 459.073,906 94.79,907 96.097,909 0.574,910 0.342,911 0.186,912 0.108,913 26,914 11,915 0.076,916 6,917 1,918 1.069,919 4.529,920 342.801,921 0.069,922 29,923 165.525,928 24.982,929 11.576,930 5.838,931 1.843,932 94.79,933 3.961,934 10.051,938 3.046,940 18.011,941 649.96,942 44.5,952 74.581,953 85.724,954 0.24,955 0.469,956 0.67,957 0.791,958 0.813,959 0.817,960 5.086,961 1.692,962 6.061,963 5.958,964 4.691,965 5.024,966 1.824,967 6.866,968 4.579,969 6.235,970 1.625,971 7.612,972 4.772,973 4.205,974 4.832,975 0.57,976 7.735,977 4.007,978 7.523,979 1.485,980 9.261,981 4.218,982 6.279,983 7.141,984 1.426,985 10.831,986 6.058,987 8.845,988 1.247,989 10.968,990 3.538,991 6.621,992 7.845,993 0.479,994 12.519,995 6.313,996 10.205,997 1.226,998 12.712,999 3.314,1000 8.131,1001 9.661,1002 1.153,1003 15.119,1004 7.803,1005 11.591,1006 1,1007 14.482,1008 2.606,1009 8.87,1010 10.788,1011 0.346,1012 17.155,1013 8.464,1014 12.998,1015 1,1016 16.27,1017 2.275,1018 10.143,1019 12.418,1020 0.931,1021 19.58,1022 9.711,1023 3.184,1024 0.716,1025 18.071,1026 2.275,1027 11.078,1028 13.75,1029 0.237,1030 21.776,1031 10.582,1032 2.909,1033 10.706,1034 19.882,1035 1.606,1036 12.253,1037 15.306,1038 0.742,1039 24.139,1040 11.725,1041 2.758,1042 9.211,1043 21.702,1044 4.548,1045 13.285,1046 16.734,1047 0.158,1048 26.411,1049 12.702,1050 2.609,1051 8.918,1052 23.529,1053 3.578,1054 14.423,1055 18.262,1056 0.583,1057 28.756,1058 13.804,1059 2.413,1060 8.456,1061 25.361,1062 3.121,1063 15.503,1064 19.735,1065 0.104,1066 31.067,1067 14.837,1068 2.286,1069 7.165,1070 27.199,1071 2.861,1072 16.631,1073 21.252,1074 0.452,1075 33.411,1076 15.927,1077 1.979,1078 6.105,1079 29.04,1080 2.82,1081 17.737,1082 22.747,1083 0.068,1084 35.742,1085 16.99,1086 17058,1087 24825,1088 26.641,1089 46.58,1090 57.396,1091 58.628,1092 59.509,1093 57.39,1094 57.367,1095 66.053,1096 7.44,1097 164.102,1098 54.09,1099 5.609,1100 5.326,1101 6.426,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 14.304,1109 1.472,1110 1.503,1111 1.526,1112 1.472,1113 1.471,1114 1.694,1115 0.191,1116 4.208,1117 1.387,1118 4.096,1119 4.133,1120 4.065,1121 3.981,1122 8.19,1123 3.997,1124 3.915,1125 3.973,1126 3.809,1127 3.765,1128 5.085,1129 3.766,1130 3.849,1131 3.907,1132 3.708,1133 3.731,1134 4.763,1135 3.717,1136 3.726,1137 3.788,1138 3.615,1139 3.565,1140 4.499,1141 3.564,1142 3.504,1143 3.549,1144 3.427,1145 3.291,1146 4.36,1147 3.32,1148 3.32,1149 3.397,1150 3.177,1151 3.131,1152 4.328,1153 3.13,1154 3.278,1155 3.364,1156 3.057,1157 3.125,1158 4.131,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.967,1164 4.072,1165 2.977,1166 0.118,1167 0.085,1168 0.17,1169 0.106,1170 0.082,1171 4.609,1172 0.117,1173 3.326,1174 0.022,1175 6.628,1176 0.275,1177 4.139,1178 0.078,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.008,1185 1.985,1186 2.091,1187 2.144,1188 1.459,1189 2.126,1190 1.877,1191 1.818,1192 2.044,1193 2.056,1194 1.342,1195 2.06,1196 1.717,1197 1.658,1198 1.975,1199 1.897,1200 1.336,1201 1.914,1202 1.712,1203 1.647,1204 1.943,1205 1.883,1206 1.296,1207 1.912,1208 1.706,1209 1.644,1210 1.925,1211 1.873,1212 1.163,1213 1.9,1214 1.371,1215 1.33,1216 1.599,1217 1.637,1218 0.825,1219 1.619,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.825,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.39,1230 0.66,1231 1.429,1232 4.369,1233 5.687,1235 7.204,1236 2.708,1237 8.815,1238 4.977,1239 10.479,1241 3.324,1243 13.591,1247 14.596,1248 3.779,1249 11.158,1251 0.347,1252 4.803,1257 43.402,1258 112.293,1259 219.192,1260 313.213,1261 369.652,1262 379.652,1263 381.652,1264 63.821,1265 8.434,1266 62.75,1267 62.75,1268 31,1269 12.821,1270 3.585,1271 2.7,1272 51.982,1273 155,1274 189,1275 0.161,1276 261.322,1277 457.51,1278 629.385,1279 57297,1280 1.3,1281 24.2,1282 0.691,1283 0.608,1284 23.33,1285 21.27,1286 17.14,1287 0.439,1288 0.346,1289 13.258,1290 16.335,1291 12.995,1292 10.695,1293 16.746,1294 13.477,1295 15.012,1296 0.278,1297 0.192,1298 14.39,1299 10.358,1300 13.139,1301 0.18,1302 0.111,1303 12.728,1304 8.108,1305 10.916,1306 0.114,1307 0.062,1308 10.765,1309 5.976,1310 9.401,1311 0.072,1312 0.035,1313 9.177,1314 4.528,1315 0.251,1316 108.309,1317 0.194,1318 32.069,1319 0.446,1320 186,1321 514.495,1322 206.8,1323 458.678,1324 631.02,1325 436,1326 220,1327 460.978,1328 241.49,1329 458.8,1330 679.67,1331 432,1332 7.495}
{0 CHEMBL459463,1 1.407,2 11.941,3 6.517,4 42.465,5 139.287,6 6.236,7 0.289,8 4.394,9 4.535,10 3.824,11 3.867,12 5.261,13 3.822,14 5.031,15 5.246,16 4.171,17 4.303,18 5.82,19 4.222,20 5.351,21 5.612,22 4.315,23 4.527,24 6.077,25 4.411,26 5.436,27 5.711,28 4.247,29 4.533,30 6.166,31 4.388,32 5.413,33 5.704,34 4.216,35 4.479,36 6.143,37 4.341,38 5.294,39 5.552,40 4.216,41 4.461,42 6.048,43 4.333,44 5.325,45 5.593,46 4.203,47 4.455,48 6.077,49 4.332,50 5.309,51 5.557,52 4.182,53 4.431,54 6.072,55 4.318,56 0.077,57 1.107,58 19.031,59 7.061,60 11.358,61 10.533,62 0.418,63 1.827,64 36.254,65 11.968,66 28.436,67 18.195,68 0.538,69 2.348,70 49.171,71 15.729,72 37.079,73 24.901,74 0.553,75 2.439,76 53.341,77 16.67,78 45.183,79 26.637,80 0.755,81 2.302,82 52.387,83 15.759,84 51.928,85 25.254,86 0.526,87 2.215,88 46.41,89 14.752,90 38.526,91 23.569,92 0.559,93 2.237,94 48.237,95 14.333,96 40.205,97 23.256,98 0.552,99 2.153,100 47.94,101 14.059,102 38.957,103 22.333,104 9,105 52,106 0.22,107 0.433,108 0.6,109 0.695,110 0.759,111 0.791,112 3.561,113 1.061,114 -5.5,115 -5.38,116 -5.02,119 36,121 11,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 10,165 3,166 7,169 1,171 3,172 10,175 2,176 7,181 3,183 8,186 1,187 7,190 2,192 3,194 2,197 4,198 5,201 1,205 4,208 2,209 8,212 1,217 6,220 1,221 13,224 1,227 4,231 13,238 2,241 1,242 8,247 2,249 4,252 2124,253 23.825,254 23.825,255 23.825,256 23.825,257 23.825,258 22.618,259 31.988,260 14.26,261 24.558,262 18.7,263 18.7,264 18.7,265 18.7,266 18.7,267 16.626,268 52.511,269 6.671,270 19.73,271 4.822,272 3.46,273 2.39,274 1.781,275 1.374,276 1.167,277 4.275,283 1,284 890,285 2.828,288 392.24,289 111.937,292 151.819,295 1.834,296 21.437,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 72.5,308 406,309 4.609,310 3.329,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.181,320 6.188,321 3.833,322 2.899,323 3.578,324 0.86,325 9.203,326 2.712,327 3.891,328 3.025,329 6.097,330 3.678,331 2.748,332 3.121,333 0.8,334 8.908,335 2.55,336 3.74,337 2.835,338 5.981,339 3.543,340 2.6,341 2.852,342 0.8,343 8.454,344 2.453,345 3.552,346 2.539,347 5.445,348 3.365,349 2.404,350 2.807,351 0.4,352 7.165,353 2.297,354 3.317,355 2.23,356 5.074,357 2.932,358 1.982,359 2.43,361 5.959,362 1.88,363 3,364 2,365 4.644,366 2.864,367 1.901,368 2.058,370 4.954,371 1.825,372 2.833,373 1.965,374 4.463,375 2.618,376 1.651,377 1.888,379 4.365,380 1.599,381 2.608,382 1.607,383 4.253,384 2.472,385 1.526,386 1.613,388 3.787,389 1.437,390 2.569,391 1.6,392 3.725,393 2.349,394 1.425,395 1.574,397 3.315,398 1.308,399 2.247,400 1.247,401 3.521,402 2.247,403 1.247,404 1.247,406 2.64,407 1.247,408 2.121,409 1.207,410 3.438,411 2.027,412 1.078,413 1.112,415 2.606,416 1.018,417 2,418 1.146,419 3.414,420 2,421 1,422 1,424 2.275,425 1,426 2,427 1.025,428 3.414,429 1.967,430 1,431 1,433 2.136,434 0.965,435 1.902,436 1,437 3.247,438 1.613,439 0.712,440 0.82,442 1.599,443 0.636,444 16.167,445 0.475,446 0.598,447 0.018,448 35,449 1.029,450 12,451 0.353,452 23,453 0.676,454 40.94,455 1.204,456 39.633,457 0.528,458 24.569,459 0.723,460 5.719,461 0.168,462 11.027,463 0.324,464 0.062,466 0.297,472 0.916,473 1.629,474 0.954,475 1.359,476 0.776,477 1.187,478 1.207,479 1.147,480 1.039,481 1.061,482 0.876,483 1.036,484 0.867,485 1.117,486 0.929,487 0.993,488 0.703,489 0.962,490 0.882,491 1.164,492 1.009,493 1.089,494 0.946,495 1.06,496 1.009,497 0.86,498 0.914,499 0.807,500 1.11,501 0.837,502 0.806,503 1.197,504 1.01,505 1.089,506 0.965,507 1.066,508 1.129,509 1.048,510 1.074,511 0.983,512 1.322,513 1,514 1.644,515 1.104,516 1.218,517 1.054,518 1.667,519 1.075,520 5.5,521 0.216,522 3.333,523 1.688,524 1.827,525 1.226,526 0.927,527 0.596,528 0.356,529 0.26,530 16755,531 29320,532 2.163,533 54.7,534 14,535 18,538 1,540 8,542 1.765,543 2.082,544 3.525,545 -0.392,550 105.51,551 1.407,552 2.769,553 3.839,554 4.448,555 4.855,556 5.062,557 2.94,558 4.558,559 5.054,560 3.72,561 2086.71,562 8.897,563 31532.1,568 467.161,569 1.166,570 5.043,571 0.145,572 0.006,573 0.064,574 0.029,575 0.035,576 0.024,577 0.018,578 0.012,579 0.007,580 0.006,581 0.345,582 0.17,583 0.63,584 0.631,585 180.758,586 0.031,587 -0.275,588 0.094,589 -0.112,590 0.148,591 -0.017,592 0.003,593 0.033,594 0.012,595 0.011,596 0.165,597 0.007,598 0.075,599 -0.035,600 0.075,601 0.024,602 0.197,603 0.048,604 0.043,605 -0.12,606 -0.014,607 -0.105,608 0.097,609 -0.072,610 0.076,611 0.14,612 0.093,613 0.132,614 0.061,615 0.117,616 0.09,617 -0.102,618 -0.009,619 -0.072,620 0.026,621 -0.055,622 -0.061,623 0.04,624 -0.051,625 -0.012,626 -0.154,627 -0.023,628 -0.219,629 -0.02,630 -0.159,631 -0.073,632 -0.279,633 -0.1,634 0.956,635 2.107,636 0.853,637 39.322,638 0.988,639 1.138,640 4.271,641 18.24,642 0.622,643 3.664,644 3.97,645 4.277,646 4.554,647 4.852,648 5.017,649 5.193,650 5.371,651 5.553,652 5.659,653 7.226,654 0.574,655 467.73,656 3.664,657 5.198,658 6.057,659 6.932,660 7.809,661 8.695,662 9.581,663 10.473,664 11.364,665 12.261,666 6.7,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 75,705 11,706 1,707 38,709 79,710 27,711 8,712 4,713 2,717 5,718 6,724 13,727 13,729 8,730 19,747 41,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,776 4,777 1,780 1,792 1,796 4,801 2,805 34,810 15,811 1,812 2,814 2,815 2,825 2.7,830 2,832 16.333,833 13.717,834 7.639,835 5.217,836 2.339,837 1.28,838 0.968,839 8.083,840 10.683,841 3.795,842 4.311,843 4.879,844 5.461,845 6.082,846 6.503,847 6.927,848 7.33,849 7.703,850 7.794,851 0.875,852 59,853 12.69,854 5.343,855 7.343,856 25.726,857 22.033,859 1.843,860 62.667,864 470.844,865 96.452,866 57.83,868 22,871 96.452,872 492.844,873 57.83,874 21.766,875 36.303,876 18.952,877 51.582,878 43.452,879 4.227,880 470.844,882 470.844,883 154.283,884 22,887 376.675,888 116.169,891 43.47,892 59.231,893 51.582,895 470.844,896 79.83,897 96.452,900 470.844,901 55.734,902 46.967,903 18.011,904 55.571,905 470.844,906 79.83,907 96.452,909 0.569,910 0.342,911 0.19,912 0.108,913 25,914 10,915 0.076,916 6,917 1,918 1.069,919 4.468,920 330.288,921 0.069,922 29,923 158.974,928 24.088,929 11.408,930 5.632,931 1.917,932 79.83,933 4.022,934 10.12,938 3.195,940 18.011,941 647.127,942 43.5,952 74.068,953 85.384,954 0.226,955 0.445,956 0.616,957 0.714,958 0.779,959 0.813,960 5.055,961 1.651,962 6.019,963 4.954,964 4.654,965 4.997,966 1.824,967 6.821,968 4.55,969 6.197,970 1.526,971 7.565,972 4.365,973 4.111,974 4.783,975 0.57,976 7.687,977 3.928,978 7.483,979 1.425,980 9.212,981 3.787,982 6.232,983 7.122,984 1.426,985 10.799,986 6.022,987 8.805,988 1.247,989 10.921,990 3.315,991 6.553,992 7.825,993 0.479,994 12.497,995 6.255,996 10.168,997 1.078,998 12.669,999 2.64,1000 8.086,1001 9.651,1002 1.153,1003 15.101,1004 7.768,1005 11.558,1006 1,1007 14.444,1008 2.606,1009 8.819,1010 10.781,1011 0.346,1012 17.145,1013 8.422,1014 12.969,1015 1,1016 16.236,1017 2.275,1018 10.105,1019 12.414,1020 0.931,1021 19.571,1022 9.681,1023 3.184,1024 0.712,1025 18.042,1026 2.136,1027 11.04,1028 13.747,1029 0.237,1030 21.77,1031 10.55,1032 2.899,1033 10.706,1034 19.858,1035 1.599,1036 12.221,1037 15.304,1038 0.742,1039 24.134,1040 11.699,1041 2.748,1042 9.203,1043 21.682,1044 4.548,1045 13.255,1046 16.733,1047 0.158,1048 26.407,1049 12.677,1050 2.6,1051 8.908,1052 23.512,1053 3.578,1054 14.397,1055 18.261,1056 0.583,1057 28.753,1058 13.782,1059 2.404,1060 8.454,1061 25.347,1062 3.121,1063 15.479,1064 19.735,1065 0.104,1066 31.064,1067 14.816,1068 1.982,1069 7.165,1070 27.187,1071 2.852,1072 16.609,1073 21.252,1074 0.452,1075 33.408,1076 15.908,1077 1.901,1078 5.959,1079 29.03,1080 2.807,1081 17.716,1082 22.747,1083 0.068,1084 35.74,1085 16.971,1086 15639,1087 20961,1088 26.235,1089 46.643,1090 55.73,1091 56.621,1092 57.46,1093 55.777,1094 55.824,1095 64.511,1096 7.44,1097 157.999,1098 52.918,1099 5.609,1100 5.329,1101 6.43,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 11.249,1109 1.467,1110 1.49,1111 1.512,1112 1.468,1113 1.469,1114 1.698,1115 0.196,1116 4.158,1117 1.393,1118 4.095,1119 4.132,1120 4.065,1121 3.98,1122 5.085,1123 3.996,1124 3.914,1125 3.972,1126 3.798,1127 3.781,1128 4.764,1129 3.774,1130 3.848,1131 3.907,1132 3.708,1133 3.732,1134 4.499,1135 3.717,1136 3.714,1137 3.78,1138 3.595,1139 3.539,1140 4.384,1141 3.543,1142 3.497,1143 3.545,1144 3.411,1145 3.281,1146 4.33,1147 3.308,1148 3.316,1149 3.393,1150 3.168,1151 3.125,1152 4.162,1153 3.124,1154 3.278,1155 3.364,1156 3.057,1157 3.125,1158 4.076,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.97,1164 3.958,1165 2.977,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.609,1172 0.12,1173 3.329,1174 0.023,1175 6.628,1176 0.282,1177 4.139,1178 0.08,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.007,1185 1.984,1186 2.112,1187 2.144,1188 1.5,1189 2.125,1190 1.895,1191 1.837,1192 2.057,1193 2.058,1194 1.342,1195 2.071,1196 1.717,1197 1.658,1198 1.975,1199 1.894,1200 1.336,1201 1.913,1202 1.712,1203 1.647,1204 1.941,1205 1.882,1206 1.259,1207 1.912,1208 1.691,1209 1.622,1210 1.909,1211 1.873,1212 1.157,1213 1.898,1214 1.361,1215 1.319,1216 1.597,1217 1.633,1218 0.825,1219 1.616,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.825,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.393,1230 0.795,1231 1.429,1232 4.344,1233 5.652,1235 7.166,1236 2.708,1237 8.776,1238 4.977,1239 10.44,1241 3.365,1247 18.738,1248 3.808,1249 11.192,1251 1.238,1252 5.072,1257 43.019,1258 105.51,1259 207.686,1260 287.893,1261 333.594,1262 364.142,1263 379.652,1264 51.2,1265 8.344,1266 62.75,1267 62.75,1268 31,1269 12.787,1270 3.585,1271 2.7,1272 49.719,1273 146,1274 164,1275 0.164,1276 260.124,1277 451.44,1278 626.462,1279 51150,1281 23.33,1282 0.686,1283 0.618,1284 23.33,1285 21.021,1286 16.746,1287 0.441,1288 0.354,1289 13.252,1290 16.061,1291 12.967,1292 10.738,1293 16.746,1294 13.442,1295 14.39,1296 0.277,1297 0.197,1298 14.39,1299 10.244,1300 12.728,1301 0.179,1302 0.114,1303 12.728,1304 8.073,1305 10.765,1306 0.115,1307 0.064,1308 10.765,1309 6.045,1310 9.177,1311 0.072,1312 0.036,1313 9.177,1314 4.565,1315 0.256,1316 105.08,1317 0.195,1318 31.253,1319 0.459,1320 180,1321 422.384,1322 196.969,1323 400.217,1324 565.7,1325 382,1326 213,1327 428.978,1328 231.635,1329 432.465,1330 640.34,1331 407,1332 6.26}
{0 CHEMBL459464,1 1.375,2 11.032,3 5.289,4 27.975,5 128.751,6 6.23,7 0.314,8 4.298,9 4.442,10 3.733,11 3.792,12 5.147,13 3.743,14 4.936,15 5.152,16 4.087,17 4.237,18 5.718,19 4.149,20 5.268,21 5.537,22 4.17,23 4.433,24 5.959,25 4.305,26 5.319,27 5.605,28 4.096,29 4.415,30 6.03,31 4.26,32 5.26,33 5.558,34 4.036,35 4.352,36 5.938,37 4.203,38 5.149,39 5.419,40 4.062,41 4.316,42 5.894,43 4.185,44 5.117,45 5.368,46 4.055,47 4.326,48 5.869,49 4.204,50 5.178,51 5.43,52 4.01,53 4.329,54 5.933,55 4.195,56 0.078,57 1.027,58 17.198,59 6.365,60 9.589,61 9.62,62 0.362,63 1.718,64 32.788,65 10.988,66 25.035,67 16.858,68 0.378,69 2.172,70 44.852,71 14.299,72 29.683,73 22.944,74 0.536,75 2.201,76 47.249,77 14.796,78 40.337,79 23.789,80 0.401,81 2.048,82 44.237,83 13.638,84 33.421,85 22.275,86 0.549,87 1.928,88 40.146,89 12.764,90 34.724,91 20.325,92 0.334,93 1.917,94 38.808,95 12.501,96 28.418,97 19.858,98 0.456,99 1.95,100 41.609,101 12.887,102 33.86,103 20.342,104 3,105 48,106 0.219,107 0.452,108 0.642,109 0.776,110 0.795,111 0.795,112 3.472,113 1.064,114 -5.59,115 -5.46,116 -5.09,119 36.8,121 10,124 1,125 4,127 2,138 3,139 1,140 1,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 3,172 9,176 3,181 3,183 6,186 2,187 12,190 2,192 4,194 6,198 3,205 4,208 4,209 9,212 1,214 2,217 12,221 4,227 8,231 14,234 1,238 10,242 3,249 4,252 1671,253 21.748,254 21.748,255 21.748,256 21.748,257 21.748,258 20.541,259 33.157,260 13.042,261 22.313,262 17.285,263 17.285,264 17.285,265 17.285,266 17.285,267 15.306,268 56.293,269 6.19,270 18.145,271 4.713,272 3.253,273 2.058,274 1.217,275 1.099,276 1.099,277 4.188,282 1,283 1,284 759,285 2.55,287 85.623,288 247.038,289 100.386,292 135.464,295 1.713,296 17.241,299 0.75,300 1,301 1,302 1,303 1,304 1,305 1,306 0.96,307 65.5,308 342,309 4.57,310 3.265,311 6.585,312 4.099,313 3.145,314 4.505,315 0.86,316 10.542,317 3.009,318 3.973,319 3.117,320 6.174,321 3.832,322 2.888,323 3.348,324 0.8,325 9.145,326 2.723,327 3.822,328 2.924,329 6.039,330 3.572,331 2.65,332 3.09,333 0.8,334 8.701,335 2.454,336 3.727,337 2.781,338 5.532,339 3.512,340 2.552,341 2.836,342 0.4,343 7.469,344 2.435,345 3.475,346 2.513,347 5.269,348 3.248,349 2.299,350 2.654,352 6.676,353 2.173,354 3.229,355 1.989,356 4.942,357 2.874,358 1.908,359 2.389,361 5.539,362 1.843,363 2.998,364 1.971,365 4.635,366 2.81,367 1.862,368 2.049,370 4.96,371 1.759,372 2.707,373 1.619,374 4.343,375 2.574,376 1.587,377 1.737,379 4.067,380 1.564,381 2.59,382 1.581,383 3.862,384 2.404,385 1.461,386 1.592,388 3.369,389 1.373,390 2.393,391 1.247,392 3.671,393 2.247,394 1.247,395 1.368,397 2.747,398 1.247,399 2.247,400 1.19,401 3.414,402 2.046,403 1.078,404 1.247,406 2.606,407 1.04,408 2,409 1.077,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.855,418 0.999,419 3.275,420 1.778,421 0.821,422 0.844,424 1.996,425 0.784,426 1.645,427 0.934,428 3,429 1.591,430 0.618,431 0.618,433 1.372,434 0.6,435 1.618,436 0.744,437 2.99,438 1.36,439 0.489,440 0.546,442 0.793,443 0.422,444 14.833,445 0.478,446 0.547,447 0.018,448 32.5,449 1.048,450 11.5,451 0.371,452 21,453 0.677,454 35.284,455 1.138,456 35.567,457 0.523,458 21.168,459 0.683,460 5.23,461 0.169,462 10.067,463 0.325,464 0.034,466 0.29,472 0.932,473 1.593,474 0.956,475 1.306,476 0.782,477 1.158,478 1.159,479 1.174,480 1.051,481 1.093,482 0.791,483 1.068,484 1.054,485 1.133,486 0.971,487 0.994,488 0.825,489 0.971,490 0.911,491 1.054,492 1.007,493 1.005,494 1.021,495 1.007,496 0.979,497 0.964,498 0.912,499 0.863,500 1.184,501 0.866,502 0.862,503 0.985,504 0.991,505 0.955,506 1.063,507 0.972,508 1.196,509 1.16,510 1.109,511 1.087,512 1.323,513 1.08,514 1.605,515 1.101,516 1.261,517 1.109,518 1.767,519 1.142,520 5,521 0.162,522 2.889,523 1.34,524 1.415,525 1.115,526 0.692,527 0.418,528 0.279,529 0.205,530 13475,531 22798,532 2.2,533 54.4,534 8,535 16,538 1,540 8,541 4,542 1.741,543 2.138,544 3.448,545 -0.393,550 93.492,551 1.375,552 2.835,553 4.029,554 4.87,555 4.988,556 4.988,557 2.903,558 4.503,559 4.921,560 3.634,561 1689.93,562 8.626,563 23919.8,568 413.947,569 1.058,570 4.918,571 0.143,572 0.006,573 0.06,574 0.026,575 0.031,576 0.025,577 0.015,578 0.009,579 0.007,580 0.006,581 0.33,582 0.33,583 0.75,584 0.479,585 160.08,586 0.043,587 -0.258,588 0.096,589 -0.088,590 0.151,591 -0.005,592 0.063,593 0.01,594 -0.002,595 -0.028,596 0.228,597 -0.027,598 -0.052,599 -0.078,600 0.033,601 0.002,602 0.114,603 0.023,604 0.076,605 -0.03,606 -0.009,607 -0.046,608 0.097,609 -0.038,610 -0.046,611 0.036,612 0.078,613 0.084,614 -0.068,615 0.096,616 0.182,617 0.086,618 0.021,619 0.029,620 0.05,621 0.013,622 -0.123,623 -0.053,624 -0.089,625 -0.068,626 -0.179,627 -0.071,628 -0.205,629 -0.018,630 -0.217,631 -0.12,632 -0.324,633 -0.161,634 0.823,635 2.077,636 0.903,637 33.061,638 0.985,639 1.137,640 4.356,641 18.979,642 0.627,643 3.584,644 3.892,645 4.19,646 4.466,647 4.718,648 4.913,649 5.063,650 5.226,651 5.412,652 5.509,653 6.823,654 0.577,655 423.67,656 3.584,657 5.118,658 5.974,659 6.847,660 7.719,661 8.602,662 9.482,663 10.37,664 11.255,665 12.147,666 7.4,669 1,671 1,672 1,676 2,680 2,681 3,682 2,686 3,688 11,697 1,699 1,701 1,703 68,705 11,706 1,707 35,709 72,710 25,711 8,712 3,713 3,717 5,718 6,724 12,727 12,729 8,730 17,747 37,748 6,749 1,750 6,755 5,760 0.8,761 1,771 1,773 1,775 1,776 3,777 1,780 1,792 1,796 4,801 1,805 31,810 14,811 1,812 1,814 2,815 2,825 1.5,830 1,832 14.5,833 12.133,834 6.861,835 4.807,836 2.34,837 1.288,838 0.983,839 6.802,840 10.469,841 3.726,842 4.241,843 4.8,844 5.378,845 5.97,846 6.376,847 6.776,848 7.166,849 7.539,850 7.606,851 1,852 51,853 11.576,854 4.917,855 7.306,856 23.6,857 20.474,859 1.806,860 56,864 423.76,865 87.267,866 57.83,868 11,871 87.267,872 434.76,873 57.83,874 10.883,875 33.768,876 28.429,877 51.582,878 27.209,879 4.227,880 423.76,882 423.76,883 145.098,884 11,887 282.506,888 152.253,891 40.936,892 52.58,893 51.582,895 423.76,896 68.83,897 87.267,900 423.76,901 47.956,902 45.56,903 18.011,904 44.571,905 423.76,906 68.83,907 87.267,909 0.572,910 0.338,911 0.185,912 0.1,913 24,914 9,915 0.069,916 5,917 1,918 1.071,919 4.302,920 290.441,921 0.071,922 28,923 139.58,928 21.271,929 9.913,930 4.93,931 2.072,932 68.83,933 6.178,934 10.06,938 2.721,940 18.011,941 579.857,942 40.5,952 66.974,953 77.344,954 0.226,955 0.466,956 0.662,957 0.8,958 0.819,959 0.819,960 4.982,961 1.587,962 5.932,963 4.96,964 4.575,965 4.927,966 1.552,967 6.723,968 4.479,969 6.121,970 1.461,971 7.469,972 4.067,973 4.007,974 4.663,975 0.57,976 7.554,977 3.828,978 7.4,979 1.247,980 9.106,981 3.369,982 6.142,983 7.037,984 1.121,985 10.663,986 5.943,987 8.716,988 1.078,989 10.804,990 2.747,991 6.447,992 7.698,993 0.479,994 12.343,995 6.162,996 10.07,997 1,998 12.542,999 2.606,1000 7.978,1001 9.547,1002 0.858,1003 14.939,1004 7.674,1005 11.451,1006 0.821,1007 14.307,1008 2.275,1009 8.698,1010 10.649,1011 0.346,1012 16.971,1013 8.318,1014 12.853,1015 0.618,1016 16.091,1017 1.996,1018 9.978,1019 12.295,1020 0.662,1021 19.39,1022 9.571,1023 3.145,1024 0.489,1025 17.89,1026 1.372,1027 10.902,1028 13.612,1029 0.237,1030 21.581,1031 10.431,1032 2.888,1033 10.542,1034 19.699,1035 0.793,1036 12.077,1037 15.175,1038 0.506,1039 23.937,1040 11.573,1041 2.65,1042 9.145,1043 21.517,1044 4.505,1045 13.1,1046 16.594,1047 0.158,1048 26.202,1049 12.541,1050 2.552,1051 8.701,1052 23.343,1053 3.348,1054 14.235,1055 18.122,1056 0.382,1057 28.539,1058 13.639,1059 2.299,1060 7.469,1061 25.174,1062 3.09,1063 15.307,1064 19.588,1065 0.104,1066 30.84,1067 14.662,1068 1.908,1069 6.676,1070 27.01,1071 2.836,1072 16.429,1073 21.102,1074 0.285,1075 33.174,1076 15.745,1077 1.862,1078 5.539,1079 28.85,1080 2.654,1081 17.526,1082 22.589,1083 0.068,1084 35.495,1085 16.797,1086 12431,1087 16376,1088 24.444,1089 42.665,1090 51.431,1091 52.036,1092 52.269,1093 51.596,1094 51.589,1095 60.069,1096 5.72,1097 145.421,1098 49.171,1099 5.57,1100 5.265,1101 6.383,1102 5.178,1103 5.145,1104 7.505,1105 1.72,1106 17.554,1107 5.009,1108 7.585,1109 1.469,1110 1.487,1111 1.493,1112 1.474,1113 1.474,1114 1.716,1115 0.163,1116 4.155,1117 1.405,1118 4.091,1119 4.131,1120 4.056,1121 3.98,1122 5.07,1123 3.993,1124 3.912,1125 3.973,1126 3.8,1127 3.765,1128 4.7,1129 3.764,1130 3.848,1131 3.907,1132 3.707,1133 3.731,1134 4.394,1135 3.717,1136 3.697,1137 3.765,1138 3.57,1139 3.54,1140 4.331,1141 3.534,1142 3.473,1143 3.527,1144 3.379,1145 3.277,1146 4.222,1147 3.297,1148 3.305,1149 3.381,1150 3.153,1151 3.125,1152 4.082,1153 3.118,1154 3.278,1155 3.364,1156 3.057,1157 3.121,1158 4.021,1159 3.097,1160 3.176,1161 3.253,1162 3.01,1163 2.941,1164 3.726,1165 2.946,1166 0.131,1167 0.093,1168 0.188,1169 0.117,1170 0.09,1171 4.57,1172 0.129,1173 3.265,1174 0.025,1175 6.585,1176 0.301,1177 4.099,1178 0.086,1179 3.145,1180 4.505,1181 0.86,1182 10.542,1183 3.009,1184 2.011,1185 1.985,1186 2.083,1187 2.141,1188 1.419,1189 2.124,1190 1.824,1191 1.764,1192 2.016,1193 1.999,1194 1.341,1195 2.009,1196 1.717,1197 1.658,1198 1.975,1199 1.882,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.94,1205 1.873,1206 1.211,1207 1.904,1208 1.577,1209 1.507,1210 1.86,1211 1.751,1212 1.163,1213 1.793,1214 1.419,1215 1.353,1216 1.649,1217 1.674,1218 0.95,1219 1.667,1220 1.309,1221 1.244,1222 1.587,1223 1.574,1224 0.825,1225 1.578,1226 1.153,1227 1.064,1228 1.513,1229 1.385,1230 0.604,1231 1.429,1232 4.263,1233 5.572,1234 2.398,1235 7.074,1236 4.595,1237 8.67,1238 6.529,1239 10.32,1241 1.719,1247 17.618,1248 3.808,1249 5.485,1251 1.249,1252 5.09,1257 39.251,1258 93.492,1259 192.753,1260 273.999,1261 331.193,1262 339.193,1263 339.193,1264 42.495,1265 8.129,1266 53.52,1267 53.52,1268 30,1269 12.677,1270 3.585,1271 2.7,1272 43.409,1273 125,1274 127,1275 0.167,1276 236.943,1277 408.05,1278 569.9,1279 39783,1281 21.045,1282 0.679,1283 0.612,1284 21.045,1285 18.983,1286 15.297,1287 0.437,1288 0.355,1289 12.265,1290 14.759,1291 12.034,1292 9.933,1293 15.297,1294 12.413,1295 13.316,1296 0.277,1297 0.199,1298 13.316,1299 9.549,1300 11.704,1301 0.18,1302 0.115,1303 11.704,1304 7.493,1305 9.896,1306 0.115,1307 0.065,1308 9.896,1309 5.63,1310 7.961,1311 0.072,1312 0.035,1313 7.961,1314 3.926,1315 0.259,1316 95.273,1317 0.202,1318 29.004,1319 0.466,1320 166,1321 362.649,1322 180.091,1323 349.77,1324 498.93,1325 334,1326 196,1327 383.433,1328 211.147,1329 386.646,1330 572.77,1331 366,1332 7.886}
{0 CHEMBL459465,1 1.294,2 10.931,3 5.306,4 28.148,5 122.288,6 6.151,7 0.333,8 4.235,9 4.383,10 3.662,11 3.754,12 5.052,13 3.695,14 4.875,15 5.094,16 4.021,17 4.206,18 5.633,19 4.106,20 5.234,21 5.515,22 4.091,23 4.393,24 5.891,25 4.25,26 5.265,27 5.562,28 4,29 4.35,30 5.939,31 4.186,32 5.179,33 5.48,34 3.938,35 4.281,36 5.844,37 4.127,38 5.076,39 5.351,40 3.935,41 4.255,42 5.775,43 4.112,44 5.051,45 5.314,46 3.909,47 4.266,48 5.766,49 4.121,50 5.076,51 5.346,52 3.821,53 4.247,54 5.77,55 4.076,56 0.082,57 0.984,58 16.21,59 6.021,60 8.203,61 9.216,62 0.319,63 1.671,64 30.759,65 10.594,66 21.169,67 16.384,68 0.34,69 2.114,70 43.042,71 13.96,72 26.276,73 22.451,74 0.456,75 2.101,76 44.415,77 13.977,78 33.619,79 22.545,80 0.361,81 1.923,82 40.617,83 12.679,84 29.145,85 20.659,86 0.359,87 1.822,88 36.906,89 12.102,90 25.754,91 19.197,92 0.293,93 1.802,94 35.938,95 12.104,96 24.797,97 19.105,98 0.304,99 1.794,100 36.608,101 12.653,102 26.097,103 19.738,105 45,106 0.209,107 0.442,108 0.614,109 0.766,110 0.791,111 0.791,112 3.408,113 1.081,114 -5.88,115 -5.74,116 -5.34,119 37.5,121 10,125 4,127 2,138 4,139 1,142 1,143 1,146 1,163 10,165 3,166 9,169 1,171 3,172 10,176 3,181 3,183 7,186 1,187 11,190 2,192 4,194 6,198 5,203 1,205 4,208 2,209 9,214 2,217 12,221 4,227 12,231 10,234 1,238 12,242 2,249 6,252 1368,253 20.43,254 20.43,255 20.43,256 20.43,257 20.43,258 19.195,259 28.844,260 12.403,261 20.816,262 16.374,263 16.374,264 16.374,265 16.374,266 16.374,267 14.471,268 51.642,269 5.964,270 17.047,271 4.706,272 3.257,273 2.194,274 1.25,275 1.094,276 1.094,277 4.127,282 1,283 1,284 711,285 2.236,287 77.931,288 226.461,289 92.132,292 124.793,295 1.731,296 13.881,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 60.5,308 317,309 4.551,310 3.253,311 6.574,312 4.081,313 3.129,314 4.478,315 0.8,316 10.495,317 2.99,318 3.951,319 3.107,320 6.173,321 3.828,322 2.883,323 3.24,324 0.8,325 9.141,326 2.721,327 3.777,328 2.892,329 6.036,330 3.56,331 2.636,332 2.931,333 0.4,334 8.688,335 2.444,336 3.629,337 2.603,338 5.465,339 3.468,340 2.498,341 2.836,343 7.264,344 2.406,345 3.308,346 2.065,347 5.055,348 2.971,349 2.012,350 2.405,352 5.891,353 1.927,354 3.049,355 1.983,356 4.635,357 2.873,358 1.903,359 2.195,361 4.969,362 1.843,363 2.877,364 1.62,365 4.34,366 2.58,367 1.59,368 1.964,370 4.075,371 1.573,372 2.654,373 1.619,374 3.825,375 2.501,376 1.536,377 1.672,379 3.366,380 1.481,381 2.575,382 1.351,383 3.663,384 2.277,385 1.311,386 1.58,388 2.97,389 1.261,390 2.346,391 1.247,392 3.591,393 2.247,394 1.247,395 1.302,397 2.606,398 1.247,399 2.247,400 1.077,401 3.414,402 1.984,403 1,404 1.247,406 2.531,407 0.983,408 2,409 1.063,410 3.414,411 1.974,412 1,413 1,415 2.275,416 0.972,417 1.854,418 0.937,419 3.272,420 1.773,421 0.815,422 0.842,424 1.989,425 0.779,426 1.618,427 0.744,428 3,429 1.591,430 0.618,431 0.618,433 1.372,434 0.6,435 1.385,436 0.303,437 2.937,438 1.148,439 0.194,440 0.217,442 0.477,443 0.184,444 14,445 0.483,446 0.479,447 0.017,448 30.5,449 1.052,450 11,451 0.379,452 19.5,453 0.672,454 32.166,455 1.109,456 32.8,457 0.513,458 18.439,459 0.636,460 4.746,461 0.164,462 9.62,463 0.332,466 0.271,472 0.978,473 1.55,474 0.975,475 1.254,476 0.794,477 1.137,478 1.073,479 1.215,480 1.08,481 1.148,482 0.714,483 1.12,484 1.196,485 1.114,486 0.972,487 0.981,488 0.863,489 0.961,490 1.209,491 1.015,492 1.012,493 0.96,494 1.209,495 0.967,496 1.345,497 0.936,498 0.957,499 0.842,500 1.457,501 0.861,502 1.259,503 0.995,504 1.049,505 0.966,506 1.322,507 0.985,508 1.345,509 1.068,510 1.138,511 1.048,512 1.513,513 1.07,514 1.153,515 1.14,516 1.175,517 1.164,518 1.545,519 1.171,520 4,521 0.097,522 2.667,523 1.153,524 1.184,525 0.913,526 0.511,527 0.266,528 0.217,529 0.139,530 11649,531 18352,532 2.237,533 54.7,534 8,535 14,538 1,540 8,541 4,542 1.722,543 2.203,544 3.431,545 -0.405,550 82.826,551 1.294,552 2.743,553 3.806,554 4.75,555 4.906,556 4.906,557 2.914,558 4.306,559 4.826,560 3.61,561 1465.47,562 8.421,563 19680.9,568 384,569 0.85,570 4.832,571 0.121,572 0.005,573 0.059,574 0.025,575 0.029,576 0.023,577 0.013,578 0.007,579 0.006,580 0.005,581 0.293,582 0.33,583 0.75,585 146.76,586 0.072,587 -0.231,588 0.096,589 -0.057,590 0.167,591 0.009,592 0.189,593 -0.026,594 -0.025,595 -0.084,596 0.279,597 -0.075,598 -0.036,599 -0.083,600 0.038,601 -0.001,602 0.139,603 0.021,604 0.049,605 -0.012,606 -0.002,607 -0.02,608 0.079,609 -0.016,610 -0.1,611 0.059,612 0.052,613 0.097,614 -0.114,615 0.089,616 -0.028,617 0.06,618 -0.028,619 0.015,620 -0.115,621 -0.003,622 -0.184,623 0.009,624 -0.119,625 -0.039,626 -0.264,627 -0.068,628 -0.093,629 -0.096,630 -0.173,631 -0.157,632 -0.259,633 -0.17,634 0.787,635 2.062,636 0.966,637 29.156,638 0.981,639 1.136,640 4.653,641 21.648,642 0.632,643 3.526,644 3.829,645 4.127,646 4.407,647 4.644,648 4.804,649 4.949,650 5.1,651 5.268,652 5.357,653 6.626,654 0.578,655 393.64,656 3.526,657 5.056,658 5.911,659 6.781,660 7.651,661 8.53,662 9.407,663 10.292,664 11.173,665 12.061,666 7.8,669 1,671 1,672 1,676 2,680 2,681 4,682 2,686 2,688 11,697 1,699 1,703 64,705 11,706 1,707 33,709 68,710 24,711 8,712 2,713 4,717 5,718 6,724 12,727 12,729 8,730 16,747 35,748 5,749 1,750 5,755 5,760 0.8,771 1,773 1,775 1,776 3,777 1,780 1,792 1,796 4,805 29,810 14,811 1,814 2,815 2,832 13.167,833 11.05,834 6.361,835 4.654,836 2.339,837 1.292,838 0.996,839 6.079,840 10.338,841 3.676,842 4.182,843 4.736,844 5.308,845 5.875,846 6.218,847 6.62,848 6.989,849 7.345,850 7.371,851 1,852 47,853 10.845,854 4.64,855 7.253,856 22.291,857 19.587,859 1.753,860 50.833,864 400.217,865 80.617,866 57.83,871 80.617,872 400.217,873 57.83,875 33.768,876 37.905,877 51.582,878 10.966,879 4.227,880 400.217,882 400.217,883 138.448,887 258.964,888 141.253,891 40.936,892 45.93,893 51.582,895 400.217,896 57.83,897 80.617,900 400.217,901 42.712,902 44.154,903 18.011,904 33.571,905 400.217,906 57.83,907 80.617,909 0.571,910 0.335,911 0.188,912 0.1,913 23,914 8,915 0.059,916 4,917 1,918 1.071,919 4.189,920 264.638,921 0.071,922 28,923 126.881,928 19.42,929 9.077,930 4.476,931 2.225,932 57.83,933 8.493,934 10.017,938 1.957,940 18.011,941 538.665,942 38.5,952 62.763,953 72.72,954 0.216,955 0.457,956 0.634,957 0.792,958 0.818,959 0.818,960 4.925,961 1.536,962 5.861,963 4.075,964 4.511,965 4.868,966 1.176,967 6.645,968 4.427,969 6.055,970 1.311,971 7.391,972 3.366,973 3.892,974 4.527,975 0.57,976 7.466,977 3.718,978 7.326,979 1.247,980 9.024,981 2.97,982 6.066,983 6.959,984 0.679,985 10.59,986 5.881,987 8.633,988 1,989 10.723,990 2.606,991 6.347,992 7.582,993 0.479,994 12.284,995 6.069,996 9.982,997 1,998 12.464,999 2.531,1000 7.901,1001 9.465,1002 0.438,1003 14.881,1004 7.609,1005 11.359,1006 0.815,1007 14.233,1008 2.275,1009 8.613,1010 10.553,1011 0.346,1012 16.924,1013 8.239,1014 12.759,1015 0.618,1016 16.023,1017 1.989,1018 9.904,1019 12.216,1020 0.292,1021 19.342,1022 9.505,1023 3.129,1024 0.194,1025 17.827,1026 1.372,1027 10.825,1028 13.527,1029 0.237,1030 21.536,1031 10.358,1032 2.883,1033 10.495,1034 19.642,1035 0.477,1036 12.005,1037 15.096,1038 0.195,1039 23.89,1040 11.504,1041 2.636,1042 9.141,1043 21.465,1044 4.478,1045 13.026,1046 16.51,1047 0.158,1048 26.154,1049 12.467,1050 2.498,1051 8.688,1052 23.294,1053 3.24,1054 14.162,1055 18.039,1056 0.129,1057 28.488,1058 13.565,1059 2.012,1060 7.264,1061 25.129,1062 2.931,1063 15.232,1064 19.501,1065 0.104,1066 30.786,1067 14.583,1068 1.903,1069 5.891,1070 26.968,1071 2.836,1072 16.353,1073 21.012,1074 0.084,1075 33.116,1076 15.663,1077 1.59,1078 4.969,1079 28.81,1080 2.405,1081 17.447,1082 22.494,1083 0.068,1084 35.433,1085 16.71,1086 10625,1087 13512,1088 23.345,1089 40.449,1090 48.639,1091 48.818,1092 48.97,1093 48.802,1094 48.745,1095 57.055,1096 4,1097 136.217,1098 46.821,1099 5.551,1100 5.253,1101 6.372,1102 5.16,1103 5.129,1104 7.478,1105 1.2,1106 17.474,1107 4.99,1109 1.474,1110 1.479,1111 1.484,1112 1.479,1113 1.477,1114 1.729,1115 0.121,1116 4.128,1117 1.419,1118 4.086,1119 4.129,1120 4.047,1121 3.979,1122 5.055,1123 3.99,1124 3.911,1125 3.973,1126 3.799,1127 3.765,1128 4.498,1129 3.764,1130 3.847,1131 3.907,1132 3.705,1133 3.732,1134 4.376,1135 3.717,1136 3.694,1137 3.764,1138 3.56,1139 3.539,1140 4.325,1141 3.533,1142 3.429,1143 3.499,1144 3.323,1145 3.261,1146 4.113,1147 3.27,1148 3.286,1149 3.364,1150 3.149,1151 3.125,1152 4.027,1153 3.111,1154 3.278,1155 3.362,1156 3.057,1157 3.113,1158 3.728,1159 3.097,1160 3.111,1161 3.206,1162 2.894,1163 2.941,1164 3.654,1165 2.91,1166 0.138,1167 0.099,1168 0.199,1169 0.124,1170 0.095,1171 4.551,1172 0.136,1173 3.253,1174 0.024,1175 6.574,1176 0.318,1177 4.081,1178 0.091,1179 3.129,1180 4.478,1181 0.8,1182 10.495,1183 2.99,1184 2.015,1185 1.985,1186 2.095,1187 2.14,1188 1.419,1189 2.127,1190 1.824,1191 1.764,1192 2.02,1193 1.998,1194 1.341,1195 2.01,1196 1.717,1197 1.657,1198 1.975,1199 1.88,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.944,1205 1.873,1206 1.211,1207 1.905,1208 1.577,1209 1.507,1210 1.86,1211 1.751,1212 1.161,1213 1.793,1214 1.414,1215 1.34,1216 1.648,1217 1.661,1218 0.95,1219 1.661,1220 1.279,1221 1.211,1222 1.513,1223 1.488,1224 0.825,1225 1.489,1226 1.153,1227 1.064,1228 1.452,1229 1.376,1230 0.573,1231 1.429,1232 4.205,1233 5.509,1234 2.398,1235 7.008,1236 4.595,1237 8.6,1238 6.529,1239 10.246,1247 17.903,1248 3.811,1251 1.308,1252 5.12,1257 37.009,1258 82.826,1259 175.574,1260 243.561,1261 304,1262 314,1263 314,1264 37.472,1265 7.999,1266 44.29,1267 44.29,1268 30,1269 12.593,1270 3.585,1271 2.7,1272 39.5,1273 114,1274 113,1275 0.167,1276 223.354,1277 381.96,1278 536.744,1279 35040,1281 19.468,1282 0.671,1283 0.609,1284 19.468,1285 17.652,1286 14.365,1287 0.435,1288 0.36,1289 11.784,1290 13.985,1291 11.598,1292 9.556,1293 14.365,1294 11.89,1295 12.513,1296 0.278,1297 0.204,1298 12.513,1299 9.183,1300 10.945,1301 0.179,1302 0.118,1303 10.945,1304 7.192,1305 9.399,1306 0.116,1307 0.068,1308 9.399,1309 5.471,1310 7.553,1311 0.073,1312 0.037,1313 7.553,1314 3.812,1315 0.26,1316 88.566,1317 0.207,1318 27.508,1319 0.462,1320 156,1321 306.913,1322 167.212,1323 303.404,1324 438.56,1325 290,1326 184,1327 342.887,1328 196.49,1329 345.97,1330 514.96,1331 330,1332 6.699}
{0 CHEMBL46748,1 1.98,2 15.953,3 4.894,4 23.949,5 161.505,6 9.343,7 0.261,8 4.396,9 4.498,10 4.156,11 3.944,12 5.524,13 3.922,14 4.999,15 5.154,16 4.624,17 4.368,18 6.439,19 4.317,20 5.251,21 5.436,22 4.695,23 4.54,24 6.399,25 4.447,26 5.337,27 5.54,28 4.845,29 4.527,30 6.62,31 4.431,32 5.276,33 5.494,34 4.627,35 4.43,36 6.557,37 4.357,38 5.279,39 5.485,40 4.606,41 4.421,42 6.556,43 4.336,44 5.219,45 5.42,46 4.574,47 4.384,48 6.478,49 4.317,50 5.166,51 5.331,52 4.665,53 4.376,54 6.727,55 4.309,56 0.294,57 1.235,58 10.29,59 7.02,60 40.333,61 7.745,62 1.35,63 2.336,64 30.129,65 12.58,66 172.986,67 13.884,68 1.31,69 2.255,70 48.499,71 17.457,72 140.039,73 19.653,74 1.816,75 2.354,76 70.916,77 19.635,78 223.902,79 21.357,80 1.536,81 2.267,82 53.015,83 17.52,84 205.844,85 20.779,86 1.858,87 2.172,88 61.708,89 17.289,90 218.836,91 19.041,92 1.565,93 1.954,94 50.604,95 15.735,96 195.596,97 17.547,98 1.783,99 1.899,100 49.176,101 15.918,102 285.569,103 17.441,104 83,105 65,106 0.309,107 0.595,108 0.782,109 0.874,110 0.887,111 0.887,112 3.787,113 1.017,114 -4.68,115 -4.6,116 -4.32,119 38.4,121 2,125 8,127 1,128 1,131 1,138 6,139 3,140 3,151 3,163 6,165 1,166 4,169 2,171 3,172 15,175 2,176 4,179 1,181 2,183 8,187 7,190 1,192 3,194 9,197 3,198 7,201 3,203 2,205 3,208 1,209 9,214 4,217 7,220 1,221 7,224 1,226 4,227 4,230 1,231 9,234 2,235 1,236 3,238 7,241 2,242 7,247 1,249 6,252 4742,253 28.04,254 28.04,255 28.04,256 28.04,257 28.04,258 26.083,259 35.387,260 16.492,261 29.216,262 22.695,263 22.695,264 22.695,265 22.695,266 22.695,267 19.571,268 40.047,269 7.894,270 24.785,271 4.21,272 2.379,273 1.175,274 0.586,275 0.503,276 0.503,277 4.473,279 3,283 1,284 1443,285 5.05,287 142.933,288 516.767,295 2.883,296 84.042,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.67,305 0.5,306 0.74,307 97.5,308 686,309 4.546,310 4.788,311 7.24,312 4.244,313 3.377,314 4.047,315 3.825,316 12.18,317 3.009,318 4.432,319 4.475,320 6.875,321 4.19,322 3.266,323 3.947,324 3.784,325 11.459,326 2.949,327 4.109,328 3.669,329 6.204,330 3.741,331 2.797,332 3.387,333 1.963,334 9.037,335 2.622,336 3.825,337 3.615,338 5.548,339 3.511,340 2.559,341 3.096,342 1.909,343 7.388,344 2.434,345 3.683,346 3.513,347 5.504,348 3.444,349 2.524,350 2.864,351 1.859,352 7.098,353 2.343,354 3.588,355 3.259,356 5.34,357 3.388,358 2.421,359 2.812,360 0.901,361 6.965,362 2.298,363 3.516,364 3.017,365 5.183,366 3.244,367 2.275,368 2.716,369 0.86,370 6.215,371 2.195,372 3.487,373 3,374 5.128,375 3.066,376 2.161,377 2.575,378 0.8,379 6.2,380 1.881,381 3.356,382 2.885,383 4.972,384 2.934,385 2.036,386 2.519,387 0.561,388 5.791,389 1.699,390 2.979,391 2.649,392 4.8,393 2.646,394 1.744,395 2.088,396 0.215,397 5.036,398 1.547,399 2.74,400 2.592,401 4.586,402 2.518,403 1.614,404 1.753,406 4.401,407 1.433,408 2.611,409 2.176,410 4.034,411 2.408,412 1.526,413 1.616,415 3.308,416 1.271,417 2.583,418 1.819,419 3.999,420 2.178,421 1.261,422 1.605,424 3.142,425 1.137,426 2.562,427 1.68,428 3.715,429 2.114,430 1.174,431 1.515,433 3.124,434 1.089,435 2.311,436 1.678,437 3.475,438 2.112,439 1.154,440 1.295,442 2.704,443 1.06,444 20.767,445 0.483,446 1.34,447 0.031,448 44.75,449 1.041,450 16.5,451 0.384,452 28.25,453 0.657,454 51.991,455 1.209,456 49.433,457 0.677,458 42.573,459 0.99,460 8.764,461 0.204,462 11.654,463 0.271,464 0.193,465 0.024,466 0.303,469 3,472 0.623,473 1.152,474 0.567,475 0.953,476 0.547,477 0.918,478 0.632,479 0.858,480 0.748,481 0.9,482 0.433,483 0.914,484 0.818,485 0.88,486 0.938,487 0.983,488 0.75,489 1.015,490 0.858,491 0.992,492 0.915,493 1.086,494 0.918,495 1.021,496 0.72,497 0.933,498 0.675,499 0.921,500 0.751,501 0.87,502 1.041,503 0.808,504 0.994,505 0.958,506 1.133,507 0.999,508 1.003,509 0.742,510 0.879,511 0.841,512 1.074,513 0.88,514 0.729,515 0.889,516 0.974,517 1.124,518 0.809,519 1.06,520 10.5,521 0.446,522 5.111,523 3.701,524 2.731,525 1.859,526 1.072,527 0.992,528 0.513,529 0.479,530 32997,531 126610,532 1.987,533 41.1,535 23,536 1,538 2,539 2,541 2,542 1.82,543 1.823,544 3.891,545 0.23,550 144.535,551 1.98,552 3.811,553 5.015,554 5.604,555 5.686,556 5.686,557 3.403,558 5.101,559 5.391,560 4.178,561 3772.76,562 9.56,563 72408.9,568 451.857,569 1.634,570 5.33,571 0.228,572 0.008,573 0.079,574 0.056,575 0.043,576 0.029,577 0.018,578 0.017,579 0.008,580 0.009,581 0.495,582 0.17,583 0.75,584 0.725,585 251.123,586 -0.05,587 -0.118,588 0.015,589 -0.018,590 -0.037,591 0.001,592 0.172,593 0.205,594 0.022,595 0.083,596 0.27,597 0.015,598 -0.076,599 -0.045,600 -0.033,601 0.012,602 -0.047,603 -0.025,604 0.021,605 -0.082,606 0.112,607 -0.045,608 0.005,609 -0.01,610 0.082,611 -0.085,612 0.142,613 0.042,614 0.102,615 0.132,616 -0.079,617 0.107,618 -0.052,619 0.013,620 -0.105,621 -0.025,622 -0.121,623 0.044,624 0.003,625 0.092,626 -0.107,627 0.084,628 0.184,629 -0.069,630 -0.003,631 -0.106,632 0.236,633 -0.085,634 5.888,635 6.459,636 0.535,637 66.218,638 1.033,639 1.14,640 3.453,641 11.92,642 0.686,643 3.85,644 4.19,645 4.394,646 4.635,647 4.828,648 4.86,649 4.956,650 5.024,651 5.05,652 5.112,653 9.702,654 0.66,655 682.04,656 3.85,657 5.407,658 6.24,659 7.122,660 7.978,661 8.864,662 9.732,663 10.622,664 11.498,665 12.391,666 5.5,669 1,673 3,681 6,686 6,688 12,702 3,703 73,705 15,706 2,707 46,709 76,710 28,711 12,712 6,713 6,717 4,718 4,719 3,721 1,724 1,726 1,727 3,729 15,730 13,733 3,737 3,741 3,745 3,747 30,748 11,749 2,750 15,751 4,755 4,760 1,761 4,775 1,776 3,783 2,784 1,792 1,795 1,796 4,797 1,799 1,802 3,803 3,805 43,810 10,811 2,812 1,813 1,814 2,815 2,816 1,824 6,825 5.5,828 3,829 1,832 23.583,833 12.757,834 9.333,835 4.293,836 1.67,837 1.206,838 0.949,839 12.334,840 9.794,841 4.025,842 4.533,843 4.938,844 5.372,845 5.821,846 5.885,847 6.035,848 6.222,849 6.335,850 6.417,851 0.909,852 66,853 16.703,854 7.854,855 8.234,856 29.632,857 24.495,859 2.734,860 117.583,864 329.591,865 157.897,866 42.27,867 117.446,868 86.435,869 44.88,870 32.22,871 125.678,872 533.471,873 87.15,875 66.034,876 56.857,877 100.549,878 68.063,879 11.771,880 350.039,881 125.205,882 329.591,883 167.948,884 131.315,885 149.665,887 306.049,888 143.857,889 11,891 76.918,892 91.03,893 117.446,894 32.22,895 374.471,896 128.705,897 275.343,900 337.35,901 93.28,902 63.106,903 36.022,904 248.761,905 329.591,906 173.585,907 275.343,909 0.588,910 0.328,911 0.172,912 0.096,913 28,914 15,915 0.145,916 11,918 1,919 5.129,920 420.746,922 23,923 224.574,924 1,928 34.164,929 15.524,930 9.635,932 173.585,933 8.206,938 0.034,940 36.022,941 778.519,942 55,946 39.088,950 -1.311,952 75.44,953 83.245,954 0.32,955 0.616,956 0.81,957 0.905,958 0.919,959 0.919,960 5.303,961 2.161,962 6.26,963 6.215,964 4.875,965 5.22,966 4.269,967 7.088,968 4.705,969 6.493,970 2.036,971 7.839,972 6.2,973 4.635,974 5.112,975 4.203,976 8.172,977 4.294,978 7.799,979 1.744,980 9.527,981 5.791,982 6.521,983 7.259,984 6.499,985 11.224,986 6.19,987 9.135,988 1.614,989 11.281,990 5.036,991 7.066,992 7.904,993 6.899,994 13.152,995 6.555,996 10.503,997 1.526,998 13.08,999 4.401,1000 8.486,1001 9.616,1002 9.063,1003 15.803,1004 7.96,1005 11.893,1006 1.261,1007 14.913,1008 3.308,1009 9.386,1010 10.603,1011 9.594,1012 18.068,1013 8.687,1014 13.301,1015 1.174,1016 16.772,1017 3.142,1018 10.643,1019 12.148,1020 11.695,1021 20.599,1022 9.893,1023 3.377,1024 1.154,1025 18.651,1026 3.124,1027 11.706,1028 13.312,1029 12.304,1030 22.995,1031 10.799,1032 3.266,1033 12.18,1034 20.546,1035 2.704,1036 12.911,1037 14.781,1038 14.343,1039 25.488,1040 11.923,1041 2.797,1042 11.459,1043 22.455,1044 4.047,1045 14.047,1046 16.04,1047 15.015,1048 27.934,1049 12.916,1050 2.559,1051 9.037,1052 24.375,1053 3.947,1054 15.239,1055 17.47,1056 16.995,1057 30.418,1058 14.009,1059 2.524,1060 7.388,1061 26.303,1062 3.387,1063 16.408,1064 18.784,1065 17.724,1066 32.884,1067 15.047,1068 2.421,1069 7.098,1070 28.238,1071 3.096,1072 17.6,1073 20.194,1074 19.649,1075 35.366,1076 16.13,1077 2.275,1078 6.965,1079 30.179,1080 2.864,1081 18.786,1082 21.539,1083 20.429,1084 37.842,1085 17.191,1086 31895,1087 62955,1088 29.531,1089 50.057,1090 69.256,1091 73.048,1092 70.811,1093 69.292,1094 68.562,1095 80.768,1096 33.354,1097 198.943,1098 62.386,1099 5.546,1100 6.788,1101 7.042,1102 5.385,1103 5.377,1104 7.047,1105 7.475,1106 19.695,1107 5.009,1108 27.737,1109 1.506,1110 1.588,1111 1.539,1112 1.506,1113 1.49,1114 1.756,1115 0.725,1116 4.325,1117 1.356,1118 4.004,1119 4.028,1120 4.168,1121 3.942,1122 8.513,1123 3.926,1124 3.941,1125 3.961,1126 4.042,1127 3.886,1128 7.999,1129 3.879,1130 3.829,1131 3.89,1132 3.958,1133 3.675,1134 7.999,1135 3.663,1136 3.767,1137 3.793,1138 3.708,1139 3.616,1140 7.435,1141 3.619,1142 3.637,1143 3.69,1144 3.587,1145 3.414,1146 7.427,1147 3.433,1148 3.511,1149 3.565,1150 3.558,1151 3.3,1152 7.422,1153 3.312,1154 3.366,1155 3.414,1156 3.505,1157 3.162,1158 5.015,1159 3.167,1160 3.283,1161 3.321,1162 3.389,1163 3.048,1164 4.9,1165 3.065,1166 0.099,1167 0.104,1168 0.157,1169 0.092,1170 0.073,1171 4.546,1172 0.088,1173 4.788,1174 0.083,1175 7.24,1176 0.265,1177 4.244,1178 0.065,1179 3.377,1180 4.047,1181 3.825,1182 12.18,1183 3.009,1184 1.921,1185 1.902,1186 2.002,1187 2.014,1188 1.299,1189 2.014,1190 1.896,1191 1.882,1192 1.987,1193 2.003,1194 1.189,1195 2.002,1196 1.766,1197 1.701,1198 1.944,1199 1.96,1200 1.171,1201 1.97,1202 1.65,1203 1.618,1204 1.825,1205 1.862,1206 1.101,1207 1.852,1208 1.582,1209 1.529,1210 1.774,1211 1.805,1212 1.084,1213 1.8,1214 1.438,1215 1.382,1216 1.64,1217 1.669,1218 0.868,1219 1.668,1220 1.288,1221 1.245,1222 1.513,1223 1.524,1224 0.825,1225 1.508,1226 1.153,1227 1.091,1228 1.467,1229 1.404,1230 0.684,1231 1.429,1232 4.533,1233 5.866,1234 2.398,1235 7.373,1236 4.844,1237 8.963,1238 7.018,1239 10.6,1242 18.172,1243 39.575,1247 4.388,1248 5.423,1249 5.341,1250 1.17,1251 -1.499,1252 3.635,1253 -4.638,1257 48.193,1258 144.535,1259 278.201,1260 366.083,1261 409.102,1262 415.102,1263 415.102,1264 164.89,1265 8.124,1266 90.98,1267 116.28,1268 23,1269 12.921,1270 4,1271 3.322,1272 81.962,1273 242,1274 282,1275 0.156,1276 306.322,1277 559.47,1278 739.186,1279 42378,1280 8.2,1281 31.148,1282 0.724,1283 0.604,1284 30.501,1285 25.978,1286 20.418,1287 0.444,1288 0.339,1289 13.438,1290 18.12,1291 13.08,1292 10.589,1293 20.481,1294 15.598,1295 19.418,1296 0.299,1297 0.194,1298 19.189,1299 12.598,1300 14.74,1301 0.184,1302 0.116,1303 15.912,1304 9.306,1305 12.013,1306 0.118,1307 0.069,1308 13.043,1309 7.023,1310 9.485,1311 0.076,1312 0.039,1313 10.436,1314 4.812,1315 0.25,1316 143.155,1317 0.184,1318 38.619,1319 0.413,1320 222,1321 918.702,1322 329.547,1323 896.567,1324 1125.54,1325 828,1326 256,1327 674.853,1328 343.201,1329 698.805,1330 1047.5,1331 655,1332 5.222}
{0 CHEMBL470962,1 1.435,2 11.094,3 4.817,4 23.199,5 130.614,6 6.372,7 0.306,8 4.321,9 4.459,10 3.772,11 3.79,12 5.205,13 3.753,14 4.954,15 5.166,16 4.129,17 4.228,18 5.763,19 4.158,20 5.242,21 5.501,22 4.203,23 4.4,24 5.989,25 4.288,26 5.282,27 5.554,28 4.181,29 4.396,30 6.053,31 4.275,32 5.269,33 5.536,34 4.157,35 4.389,36 6.042,37 4.267,38 5.221,39 5.483,40 4.141,41 4.372,42 5.993,43 4.247,44 5.205,45 5.465,46 4.118,47 4.35,48 5.968,49 4.235,50 5.203,51 5.443,52 4.084,53 4.332,54 5.982,55 4.221,56 0.062,57 1.031,58 17.324,59 6.367,60 10.546,61 9.513,62 0.403,63 1.703,64 33.408,65 10.806,66 27.272,67 16.463,68 0.484,69 2.097,70 44.165,71 13.538,72 34.853,73 21.823,74 0.548,75 2.12,76 46.077,77 13.991,78 43.173,79 22.398,80 0.612,81 2.074,82 45.618,83 13.804,84 45.573,85 22.1,86 0.576,87 2.043,88 43.269,89 13.485,90 40.058,91 21.514,92 0.476,93 1.999,94 42.729,95 12.698,96 35.481,97 20.58,98 0.531,99 1.936,100 43.116,101 12.842,102 37.005,103 20.016,104 9,105 50,106 0.228,107 0.456,108 0.65,109 0.77,110 0.787,111 0.792,112 3.503,113 1.037,114 -5.1,115 -4.99,116 -4.68,119 36.2,121 9,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 6,165 3,166 11,169 1,171 3,172 6,175 1,176 5,181 3,183 3,186 2,187 10,190 2,192 2,194 6,197 2,198 3,201 1,205 4,208 4,209 7,212 1,214 2,217 9,220 1,221 6,227 5,231 14,234 1,238 5,242 6,249 4,252 1764,253 22.411,254 22.411,255 22.411,256 22.411,257 22.411,258 21.203,259 36.077,260 13.26,261 23.141,262 17.7,263 17.7,264 17.7,265 17.7,266 17.7,267 15.626,268 59.582,269 6.171,270 18.73,271 4.673,272 3.239,273 2.019,274 1.261,275 1.152,276 1.123,277 4.215,283 1,284 783,285 2.828,287 91.022,288 354.339,292 142.329,295 1.725,296 21.051,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 68.5,308 355,309 4.609,310 3.326,311 6.628,312 4.14,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.167,320 6.189,321 3.843,322 2.904,323 3.578,324 0.86,325 9.207,326 2.728,327 3.895,328 3.046,329 6.098,330 3.677,331 2.752,332 3.121,333 0.8,334 8.912,335 2.547,336 3.746,337 2.854,338 5.981,339 3.546,340 2.606,341 2.856,342 0.8,343 8.454,344 2.45,345 3.557,346 2.548,347 5.447,348 3.37,349 2.411,350 2.813,351 0.4,352 7.172,353 2.295,354 3.323,355 2.23,356 5.076,357 2.931,358 1.981,359 2.44,361 5.964,362 1.877,363 3,364 1.973,365 4.65,366 2.858,367 1.889,368 2.06,370 4.977,371 1.827,372 2.823,373 1.963,374 4.469,375 2.54,376 1.606,377 1.881,379 4.375,380 1.502,381 2.545,382 1.554,383 4.257,384 2.376,385 1.416,386 1.549,388 3.777,389 1.354,390 2.433,391 1.47,392 3.646,393 2.281,394 1.358,395 1.431,397 3.033,398 1.244,399 2,400 1.077,401 3.432,402 2,403 1,404 1,406 2.275,407 1,408 2,409 1.053,410 3.414,411 1.984,412 1,413 1,415 2.136,416 0.983,417 1.942,418 1,419 3.261,420 1.814,421 0.861,422 0.897,424 2.044,425 0.817,426 1.823,427 0.984,428 3.247,429 1.591,430 0.684,431 0.773,433 1.533,434 0.613,435 1.618,436 0.925,437 3,438 1.588,439 0.618,440 0.618,442 1.372,443 0.6,444 15.167,445 0.474,446 0.598,447 0.019,448 34,449 1.063,450 12,451 0.375,452 22,453 0.688,454 36.294,455 1.134,456 37.033,457 0.537,458 23.694,459 0.74,460 5.73,461 0.179,462 10.016,463 0.313,464 0.066,466 0.316,472 0.916,473 1.636,474 0.925,475 1.349,476 0.773,477 1.166,478 1.214,479 1.121,480 1.014,481 1.025,482 0.877,483 1,484 0.91,485 1.175,486 0.955,487 1.024,488 0.732,489 0.988,490 0.92,491 1.032,492 0.954,493 0.973,494 1.002,495 0.958,496 1.039,497 1.037,498 0.99,499 0.945,500 1.191,501 0.954,502 0.788,503 1.07,504 1,505 1.027,506 0.975,507 1.027,508 1.11,509 1.081,510 1.07,511 1.008,512 1.278,513 1.014,514 1.613,515 1.078,516 1.253,517 1.092,518 1.683,519 1.119,520 5.5,521 0.205,522 3.333,523 1.465,524 1.912,525 1.181,526 0.853,527 0.537,528 0.329,529 0.226,530 14259,531 25948,532 2.174,533 53.6,534 6,535 18,538 1,540 8,541 4,542 1.75,543 2.087,544 3.441,545 -0.372,550 99.032,551 1.435,552 2.869,553 4.089,554 4.847,555 4.956,556 4.985,557 2.891,558 4.328,559 4.966,560 3.638,561 1804.2,562 8.723,563 25976.6,568 421.488,569 1.198,570 4.954,571 0.153,572 0.007,573 0.067,574 0.028,575 0.038,576 0.024,577 0.018,578 0.011,579 0.007,580 0.006,581 0.36,582 0.17,583 0.88,584 0.656,585 166.494,586 0.022,587 -0.294,588 0.097,589 -0.121,590 0.138,591 -0.019,592 -0.009,593 0.053,594 0.025,595 0.034,596 0.159,597 0.028,598 0.042,599 -0.103,600 0.043,601 -0.022,602 0.185,603 0.009,604 0.052,605 0.015,606 0.046,607 -0.001,608 0.094,609 0.019,610 0.029,612 0.017,613 0.033,614 -0.002,615 0.024,616 0.115,617 0.01,618 -0.006,619 -0.033,620 0.029,621 -0.034,622 -0.08,623 0.004,624 -0.059,625 -0.026,626 -0.168,627 -0.033,628 -0.215,629 0.001,630 -0.207,631 -0.104,632 -0.3,633 -0.143,634 0.957,635 2.073,636 0.844,637 35.32,638 0.99,639 1.138,640 3.865,641 14.941,642 0.625,643 3.611,644 3.932,645 4.248,646 4.533,647 4.796,648 4.956,649 5.159,650 5.342,651 5.521,652 5.609,653 6.857,654 0.579,655 439.67,656 3.611,657 5.153,658 6.019,659 6.901,660 7.783,661 8.673,662 9.563,663 10.459,664 11.353,665 12.252,666 7.2,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 69,705 11,706 1,707 36,709 73,710 25,711 8,712 4,713 2,717 5,718 6,724 11,727 11,729 8,730 17,747 37,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,773 1,775 1,776 4,780 1,792 1,796 4,801 2,805 32,810 13,811 1,812 2,814 2,815 2,825 2.9,830 2,832 15.333,833 12.717,834 7.139,835 4.717,836 2.34,837 1.287,838 0.974,839 7.007,840 10.509,841 3.75,842 4.284,843 4.864,844 5.452,845 6.066,846 6.49,847 6.922,848 7.326,849 7.699,850 7.786,851 1,852 52,853 11.931,854 5.056,855 7.365,856 24.093,857 20.699,859 1.865,860 59.667,864 423.76,865 91.383,866 57.83,868 22,871 91.383,872 445.759,873 57.83,874 21.766,875 31.234,876 18.952,877 51.582,878 43.452,879 4.227,880 423.76,882 423.76,883 149.214,884 22,887 282.506,888 163.253,891 38.401,892 59.231,893 51.582,895 423.76,896 79.83,897 91.383,900 423.76,901 50.665,902 46.967,903 18.011,904 55.571,905 423.76,906 79.83,907 91.383,909 0.573,910 0.348,911 0.194,912 0.104,913 25,914 10,915 0.082,916 6,917 1,918 1.074,919 4.325,920 306.114,921 0.074,922 27,923 148,928 22.183,929 10.108,930 4.856,931 1.913,932 79.83,933 4.005,934 10.051,938 3.193,940 18.011,941 594.973,942 41.5,952 68.301,953 78.554,954 0.235,955 0.47,956 0.669,957 0.794,958 0.811,959 0.816,960 5.016,961 1.606,962 5.989,963 4.977,964 4.615,965 4.97,966 1.824,967 6.804,968 4.507,969 6.168,970 1.416,971 7.544,972 4.375,973 4.111,974 4.783,975 0.57,976 7.687,977 3.928,978 7.461,979 1.358,980 9.198,981 3.777,982 6.209,983 7.113,984 1.426,985 10.795,986 5.993,987 8.791,988 1,989 10.912,990 3.033,991 6.567,992 7.829,993 0.479,994 12.5,995 6.271,996 10.16,997 1,998 12.664,999 2.275,1000 8.077,1001 9.649,1002 1.153,1003 15.102,1004 7.755,1005 11.554,1006 0.861,1007 14.441,1008 2.136,1009 8.832,1010 10.783,1011 0.346,1012 17.146,1013 8.436,1014 12.968,1015 0.684,1016 16.235,1017 2.044,1018 10.105,1019 12.414,1020 0.931,1021 19.572,1022 9.681,1023 3.184,1024 0.618,1025 18.042,1026 1.533,1027 11.05,1028 13.748,1029 0.237,1030 21.771,1031 10.562,1032 2.904,1033 10.706,1034 19.859,1035 1.372,1036 12.227,1037 15.304,1038 0.742,1039 24.135,1040 11.705,1041 2.752,1042 9.207,1043 21.683,1044 4.548,1045 13.264,1046 16.733,1047 0.158,1048 26.408,1049 12.688,1050 2.606,1051 8.912,1052 23.513,1053 3.578,1054 14.404,1055 18.261,1056 0.583,1057 28.754,1058 13.792,1059 2.411,1060 8.454,1061 25.348,1062 3.121,1063 15.488,1064 19.735,1065 0.104,1066 31.065,1067 14.828,1068 1.981,1069 7.172,1070 27.188,1071 2.856,1072 16.617,1073 21.252,1074 0.452,1075 33.409,1076 15.919,1077 1.889,1078 5.964,1079 29.032,1080 2.813,1081 17.724,1082 22.747,1083 0.068,1084 35.741,1085 16.983,1086 13251,1087 18103,1088 24.849,1089 43.12,1090 53.173,1091 54.13,1092 54.517,1093 53.345,1094 53.376,1095 62.052,1096 7.44,1097 153.113,1098 50.478,1099 5.609,1100 5.326,1101 6.43,1102 5.215,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 10.794,1109 1.477,1110 1.504,1111 1.514,1112 1.482,1113 1.483,1114 1.724,1115 0.207,1116 4.253,1117 1.402,1118 4.096,1119 4.133,1120 4.065,1121 3.981,1122 5.085,1123 3.997,1124 3.913,1125 3.973,1126 3.802,1127 3.764,1128 4.763,1129 3.764,1130 3.848,1131 3.906,1132 3.711,1133 3.731,1134 4.499,1135 3.718,1136 3.7,1137 3.767,1138 3.581,1139 3.54,1140 4.391,1141 3.535,1142 3.487,1143 3.53,1144 3.401,1145 3.271,1146 4.335,1147 3.303,1148 3.258,1149 3.324,1150 3.105,1151 3.015,1152 4.162,1153 3.024,1154 3.2,1155 3.286,1156 3.016,1157 2.945,1158 4.057,1159 2.946,1160 3.126,1161 3.209,1162 2.961,1163 2.941,1164 3.927,1165 2.91,1166 0.128,1167 0.092,1168 0.184,1169 0.115,1170 0.088,1171 4.609,1172 0.126,1173 3.326,1174 0.024,1175 6.628,1176 0.297,1177 4.14,1178 0.085,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.01,1185 1.986,1186 2.107,1187 2.146,1188 1.478,1189 2.128,1190 1.857,1191 1.801,1192 2.055,1193 2.017,1194 1.419,1195 2.038,1196 1.822,1197 1.764,1198 1.998,1199 1.986,1200 1.211,1201 1.997,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.174,1207 1.793,1208 1.431,1209 1.377,1210 1.651,1211 1.695,1212 0.95,1213 1.678,1214 1.338,1215 1.265,1216 1.601,1217 1.599,1218 0.825,1219 1.603,1220 1.199,1221 1.126,1222 1.576,1223 1.525,1224 0.825,1225 1.54,1226 1.173,1227 1.09,1228 1.513,1229 1.435,1230 0.816,1231 1.46,1232 4.29,1233 5.609,1234 2.398,1235 7.135,1236 4.443,1237 8.754,1238 6.293,1239 10.424,1241 3.355,1247 15.996,1248 3.763,1249 11.139,1251 1.196,1252 5.056,1257 39.965,1258 99.032,1259 197.985,1260 282.165,1261 334.469,1262 341.978,1263 343.978,1264 45.91,1265 8.168,1266 62.75,1267 62.75,1268 29,1269 12.776,1270 3.585,1271 2.7,1272 45.441,1273 131,1274 134,1275 0.169,1276 240.939,1277 416.84,1278 579.651,1279 40015,1281 21.916,1282 0.685,1283 0.613,1284 21.916,1285 19.607,1286 15.746,1287 0.437,1288 0.346,1289 12.252,1290 15.06,1291 11.987,1292 9.903,1293 15.746,1294 12.442,1295 13.683,1296 0.274,1297 0.191,1298 13.683,1299 9.537,1300 12.228,1301 0.177,1302 0.109,1303 12.228,1304 7.54,1305 10.411,1306 0.113,1307 0.062,1308 10.411,1309 5.673,1310 8.44,1311 0.07,1312 0.033,1313 8.44,1314 3.962,1315 0.262,1316 99.08,1317 0.201,1318 29.677,1319 0.475,1320 172,1321 414.384,1322 188.969,1323 391.894,1324 554.18,1325 374,1326 205,1327 420.978,1328 223.58,1329 424.137,1330 628.7,1331 399,1332 5.721}
{0 CHEMBL486656,1 1.593,2 13.8,3 5.006,4 25.06,5 140.959,6 7.248,7 0.447,8 4.322,9 4.447,10 3.861,11 3.798,12 5.356,13 3.775,14 4.89,15 5.086,16 4.209,17 4.19,18 5.85,19 4.141,20 5.131,21 5.351,22 4.324,23 4.374,24 6.05,25 4.295,26 5.247,27 5.493,28 4.267,29 4.406,30 6.132,31 4.302,32 5.295,33 5.559,34 4.257,35 4.414,36 6.146,37 4.302,38 5.245,39 5.5,40 4.264,41 4.427,42 6.097,43 4.314,44 5.262,45 5.512,46 4.284,47 4.417,48 6.149,49 4.311,50 5.245,51 5.491,52 4.249,53 4.367,54 6.144,55 4.265,56 0.034,57 0.999,58 15.461,59 6.196,60 12.039,61 8.578,62 0.416,63 1.578,64 30.729,65 10.112,66 34.767,67 14.293,68 0.454,69 1.941,70 41.091,71 12.774,72 43.272,73 18.898,74 0.563,75 2.108,76 46.231,77 14.141,78 53.341,79 21.184,80 0.76,81 2.132,82 48.194,83 14.678,84 63.401,85 22.407,86 0.576,87 2.107,88 45.285,89 14.762,90 48.561,91 22.139,92 0.529,93 2.089,94 46.313,95 14.502,96 56.525,97 21.751,98 0.609,99 1.956,100 46.708,101 14,102 60.53,103 20.342,104 39,105 52,106 0.252,107 0.567,108 0.756,109 0.827,110 0.831,111 0.836,112 3.589,113 0.981,114 -4.51,115 -4.44,116 -4.18,119 37.7,121 4,124 3,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 10,169 1,171 4,172 6,175 1,176 6,181 4,183 5,186 2,187 10,190 2,192 1,194 4,197 2,198 3,201 2,203 1,205 6,208 4,209 5,212 1,214 2,217 8,220 1,221 8,226 2,227 5,231 10,234 1,238 5,242 9,245 1,249 5,252 2463,253 23.988,254 23.988,255 23.988,256 23.988,257 23.988,258 22.005,259 37.175,260 14.261,261 24.893,262 18.605,263 18.605,264 18.605,265 18.605,266 18.605,267 15.441,268 58.455,269 6.599,270 19.963,271 4.515,272 2.522,273 1.323,274 0.873,275 0.844,276 0.815,277 4.285,279 1,283 1,284 1024,285 3.873,288 415.496,292 167.761,295 2.057,296 29.383,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 75.833,308 483,309 4.611,310 3.326,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.097,319 3.146,320 6.16,321 3.809,322 2.872,323 3.642,324 0.86,325 9.111,326 2.693,327 4.009,328 3.01,329 6.035,330 3.664,331 2.73,332 3.551,333 0.8,334 8.621,335 2.546,336 3.85,337 2.945,338 5.952,339 3.566,340 2.63,341 3.115,342 0.8,343 8.339,344 2.45,345 3.689,346 2.802,347 5.482,348 3.403,349 2.471,350 2.855,351 0.4,352 7.284,353 2.292,354 3.494,355 2.458,356 5.148,357 3.042,358 2.138,359 2.757,361 6.2,362 1.907,363 3.302,364 2.224,365 4.856,366 2.825,367 1.894,368 2.611,370 5.527,371 1.741,372 2.935,373 1.925,374 4.587,375 2.766,376 1.8,377 2.014,379 4.724,380 1.694,381 2.786,382 1.902,383 4.388,384 2.515,385 1.584,386 1.829,388 4.165,389 1.469,390 2.616,391 1.747,392 4.141,393 2.392,394 1.482,395 1.624,397 3.627,398 1.337,399 2.5,400 1.431,401 3.528,402 2.115,403 1.19,404 1.5,406 2.695,407 1.096,408 2.254,409 1.077,410 3.454,411 2,412 1,413 1.246,415 2.275,416 1,417 2,418 1.054,419 3.414,420 1.984,421 1,422 1,424 2.275,425 0.983,426 1.928,427 1,428 3.414,429 1.624,430 0.726,431 0.843,433 1.617,434 0.644,435 1.592,436 0.992,437 2.945,438 1.507,439 0.581,440 0.587,442 0.976,443 0.533,444 16.714,445 0.478,446 0.742,447 0.021,448 41.5,449 1.186,450 18,451 0.514,452 23.5,453 0.671,454 36.085,455 1.031,456 39.686,457 0.575,458 33.383,459 0.954,460 8.046,461 0.23,462 8.97,463 0.256,464 0.152,466 0.317,472 0.906,473 1.577,474 0.737,475 1.202,476 0.863,477 1.063,478 1.155,479 1.018,480 0.811,481 0.848,482 0.841,483 0.865,484 0.933,485 1.235,486 0.924,487 1.014,488 0.762,489 0.983,490 0.89,491 1.099,492 0.918,493 1.014,494 0.82,495 1.022,496 0.8,497 0.97,498 0.72,499 0.841,500 0.721,501 0.881,502 0.632,503 1,504 0.775,505 0.939,506 0.56,507 0.954,508 0.874,509 1.087,510 0.796,511 0.968,512 0.944,513 0.975,514 1.273,515 0.932,516 0.923,517 0.887,518 1.202,519 0.942,520 7,521 0.326,522 4,523 1.875,524 2.253,525 1.326,526 0.969,527 0.701,528 0.492,529 0.366,530 17356,531 45498,532 2.058,533 49.3,535 24,538 2,540 4,541 4,542 1.771,543 1.927,544 3.678,545 0.191,550 109.938,551 1.593,552 3.587,553 4.786,554 5.235,555 5.264,556 5.293,557 3.212,558 4.844,559 5.089,560 3.866,561 2300.02,562 8.968,563 35999.5,568 421.488,569 1.404,570 5.06,571 0.184,572 0.01,573 0.077,574 0.033,575 0.043,576 0.025,577 0.018,578 0.013,579 0.01,580 0.009,581 0.421,582 0.17,583 0.88,584 1.438,585 189.288,586 -0.046,587 -0.29,588 0.041,589 -0.108,590 -0.045,591 -0.028,592 -0.076,593 0.137,594 0.048,595 0.136,596 0.024,597 0.102,598 -0.025,599 -0.131,600 -0.002,601 -0.023,602 0.033,603 0.001,604 -0.023,605 -0.029,606 -0.051,607 -0.065,608 -0.033,609 -0.056,610 0.068,611 0.045,612 0.073,613 0.086,614 0.038,615 0.081,616 0.092,617 0.056,618 0.038,619 0.021,620 0.074,621 0.03,622 -0.018,623 -0.046,624 0.029,625 -0.015,626 -0.027,627 -0.001,628 -0.162,629 0.088,630 -0.027,631 0.052,632 -0.146,633 0.008,634 1.241,635 3.05,636 0.629,637 45.51,638 1.001,639 1.135,640 3.283,641 10.776,642 0.647,643 3.664,644 3.97,645 4.248,646 4.5,647 4.804,648 4.956,649 5.147,650 5.323,651 5.513,652 5.609,653 7.786,654 0.608,655 500.1,656 3.664,657 5.198,658 6.047,659 6.921,660 7.793,661 8.677,662 9.56,663 10.451,664 11.341,665 12.237,666 7.2,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 69,705 17,706 2,707 38,709 72,710 26,711 14,712 6,713 6,717 4,718 5,719 1,721 1,724 3,727 5,729 14,730 12,747 34,748 8,749 2,750 9,751 1,755 5,760 0.75,761 3,762 1,771 1,776 4,780 1,792 1,794 1,796 3,801 3,802 1,805 35,809 1,810 8,811 1,812 2,814 1,815 2,824 1,825 4.3,826 1,830 2,832 18.167,833 13.06,834 7.972,835 4.154,836 3.188,837 1.392,838 0.943,839 9.031,840 11.33,841 3.861,842 4.431,843 5.009,844 5.597,845 6.237,846 6.613,847 7.061,848 7.525,849 7.964,850 8.18,851 1,852 57,853 12.927,854 5.331,855 7.622,856 25.131,857 20.389,859 2.122,860 74.278,864 376.675,865 129.164,866 57.83,867 39.149,868 64.683,871 129.164,872 480.507,873 57.83,874 30.162,875 16.455,876 99.541,877 33.571,878 67.72,879 4.227,880 376.675,881 39.149,882 376.675,883 186.994,884 64.683,885 39.149,887 282.506,888 116.169,889 42.683,891 41.634,892 111.789,893 72.72,895 376.675,896 122.514,897 168.312,900 376.675,901 42.144,902 93.269,903 18.011,904 137.403,905 376.675,906 122.514,907 168.312,909 0.569,910 0.337,911 0.177,912 0.103,913 23,914 11,915 0.139,916 10,917 1,918 1.091,919 4.487,920 330.411,921 0.091,922 22,923 169.525,928 25.923,929 12.194,930 6.348,931 1.632,932 122.514,933 11.348,934 9.843,938 4.225,940 60.694,941 667.501,942 46.5,952 69.069,953 78.292,954 0.261,955 0.587,956 0.783,957 0.857,958 0.862,959 0.867,960 5.101,961 1.8,962 6.023,963 5.527,964 4.654,965 5.118,966 1.824,967 6.825,968 4.522,969 6.283,970 1.584,971 7.577,972 4.724,973 4.205,974 4.945,975 0.57,976 7.703,977 3.974,978 7.583,979 1.482,980 9.229,981 4.165,982 6.24,983 7.306,984 1.426,985 10.789,986 5.995,987 8.918,988 1.19,989 10.937,990 3.627,991 6.608,992 7.97,993 0.479,994 12.471,995 6.272,996 10.287,997 1,998 12.682,999 2.695,1000 8.095,1001 9.829,1002 1.153,1003 15.07,1004 7.746,1005 11.679,1006 1,1007 14.451,1008 2.275,1009 8.846,1010 10.9,1011 0.346,1012 17.1,1013 8.42,1014 13.089,1015 0.726,1016 16.238,1017 2.275,1018 10.109,1019 12.553,1020 0.931,1021 19.526,1022 9.662,1023 3.184,1024 0.581,1025 18.037,1026 1.617,1027 11.048,1028 13.839,1029 0.237,1030 21.72,1031 10.539,1032 2.872,1033 10.706,1034 19.847,1035 0.976,1036 12.219,1037 15.403,1038 0.742,1039 24.085,1040 11.682,1041 2.73,1042 9.111,1043 21.665,1044 4.549,1045 13.251,1046 16.8,1047 0.158,1048 26.358,1049 12.662,1050 2.63,1051 8.621,1052 23.49,1053 3.642,1054 14.388,1055 18.328,1056 0.583,1057 28.707,1058 13.766,1059 2.471,1060 8.339,1061 25.321,1062 3.551,1063 15.468,1064 19.783,1065 0.104,1066 31.02,1067 14.801,1068 2.138,1069 7.284,1070 27.157,1071 3.115,1072 16.595,1073 21.298,1074 0.452,1075 33.368,1076 15.893,1077 1.894,1078 6.2,1079 28.998,1080 2.855,1081 17.7,1082 22.781,1083 0.068,1084 35.703,1085 16.957,1086 16939,1087 27660,1088 25.255,1089 44.671,1090 55.655,1091 56.972,1092 58.305,1093 55.787,1094 55.675,1095 68.715,1096 7.44,1097 158.15,1098 51.792,1099 5.611,1100 5.326,1101 6.538,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 18.547,1109 1.465,1110 1.499,1111 1.534,1112 1.468,1113 1.465,1114 1.808,1115 0.196,1116 4.162,1117 1.363,1118 4.095,1119 4.129,1120 4.079,1121 3.985,1122 6.456,1123 4.001,1124 3.878,1125 3.934,1126 3.966,1127 3.82,1128 5.094,1129 3.814,1130 3.872,1131 3.902,1132 3.761,1133 3.72,1134 4.936,1135 3.72,1136 3.674,1137 3.739,1138 3.543,1139 3.509,1140 4.762,1141 3.5,1142 3.503,1143 3.548,1144 3.452,1145 3.281,1146 4.5,1147 3.316,1148 3.36,1149 3.438,1150 3.33,1151 3.114,1152 4.396,1153 3.122,1154 3.253,1155 3.318,1156 3.185,1157 2.978,1158 4.357,1159 2.991,1160 3.114,1161 3.206,1162 3.068,1163 2.941,1164 4.129,1165 2.91,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.611,1172 0.12,1173 3.326,1174 0.023,1175 6.628,1176 0.282,1177 4.14,1178 0.08,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.079,1187 2.144,1188 1.426,1189 2.124,1190 1.866,1191 1.841,1192 2.028,1193 2.023,1194 1.255,1195 2.031,1196 1.839,1197 1.78,1198 1.95,1199 1.945,1200 1.181,1201 1.954,1202 1.664,1203 1.599,1204 1.919,1205 1.861,1206 1.048,1207 1.882,1208 1.404,1209 1.356,1210 1.657,1211 1.673,1212 0.835,1213 1.662,1214 1.31,1215 1.231,1216 1.594,1217 1.59,1218 0.825,1219 1.595,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.612,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.583,1231 1.429,1232 4.344,1233 5.652,1235 7.166,1237 8.776,1239 10.439,1241 5.425,1242 6.074,1246 9.05,1247 6.995,1248 3.437,1249 11.053,1251 0.529,1252 4.667,1257 41.981,1258 109.938,1259 247.502,1260 330.204,1261 361.224,1262 363.224,1263 365.224,1264 62.327,1265 8.141,1266 82.98,1267 82.98,1268 24,1269 12.764,1270 4.17,1271 3.248,1272 59.289,1273 159,1274 220,1275 0.18,1276 261.472,1277 451.68,1278 629.751,1279 38774,1280 1.4,1281 24.786,1282 0.708,1283 0.611,1284 25.286,1285 21.385,1286 17.016,1287 0.448,1288 0.327,1289 11.86,1290 15.924,1291 11.496,1292 9.548,1293 17.305,1294 12.423,1295 14.733,1296 0.283,1297 0.179,1298 15.141,1299 9.294,1300 12.64,1301 0.183,1302 0.099,1303 12.929,1304 6.838,1305 10.174,1306 0.114,1307 0.052,1308 10.341,1309 4.638,1310 8.659,1311 0.072,1312 0.027,1313 8.895,1314 3.321,1315 0.282,1316 110.668,1317 0.199,1318 32.216,1319 0.493,1320 180,1321 514.737,1322 213.595,1323 517.881,1324 701.68,1325 488,1326 211,1327 490.286,1328 240.002,1329 507.456,1330 742.06,1331 474,1332 6.444}
{0 CHEMBL486840,1 1.582,2 11.606,3 5.364,4 28.772,5 132.697,6 7.429,7 0.459,8 4.247,9 4.37,10 3.825,11 3.757,12 5.247,13 3.735,14 4.833,15 5.023,16 4.2,17 4.171,18 5.773,19 4.125,20 5.08,21 5.303,22 4.272,23 4.33,24 5.97,25 4.248,26 5.136,27 5.377,28 4.213,29 4.33,30 6.013,31 4.233,32 5.17,33 5.421,34 4.193,35 4.335,36 6.021,37 4.231,38 5.131,39 5.385,40 4.169,41 4.317,42 5.979,43 4.206,44 5.077,45 5.326,46 4.187,47 4.273,48 5.954,49 4.181,50 5.027,51 5.244,52 4.188,53 4.248,54 5.951,55 4.166,56 0.011,57 0.941,58 13.6,59 5.68,60 8.945,61 7.762,62 0.349,63 1.544,64 28.019,65 9.608,66 28.241,67 13.322,68 0.415,69 1.88,70 38.679,71 12.225,72 36.417,73 17.77,74 0.475,75 1.955,76 40.909,77 12.965,78 43.323,79 18.929,80 0.589,81 1.973,82 41.568,83 13.336,84 48.06,85 19.743,86 0.525,87 1.929,88 40.296,89 13.182,90 41.599,91 19.526,92 0.429,93 1.826,94 38.108,95 11.917,96 40.836,97 17.745,98 0.41,99 1.709,100 35.978,101 11.446,102 40.095,103 16.035,104 14,105 52,106 0.254,107 0.553,108 0.711,109 0.786,110 0.791,111 0.797,112 3.532,113 0.971,114 -5.06,115 -4.96,116 -4.65,119 39.7,121 4,124 2,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 11,169 1,171 3,172 6,175 1,176 5,181 3,183 5,186 2,187 10,190 2,192 1,194 6,197 2,198 3,201 1,203 1,205 4,208 4,209 6,212 1,214 2,217 8,220 1,221 7,227 5,231 12,234 1,238 5,242 7,249 5,252 1993,253 22.859,254 22.859,255 22.859,256 22.859,257 22.859,258 20.875,259 37.678,260 13.346,261 23.725,262 18.166,263 18.166,264 18.166,265 18.166,266 18.166,267 15.002,268 60.223,269 6.207,270 19.473,271 4.395,272 2.525,273 1.54,274 1.072,275 1.04,276 1.008,277 4.242,279 1,283 1,284 842,285 2.915,287 94.287,288 369.206,292 148.771,295 1.739,296 23.645,299 1,300 0.83,301 1,302 1,303 0.5,304 1,305 1,306 0.9,307 70.833,308 383,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.167,320 6.189,321 3.843,322 2.904,323 3.642,324 0.86,325 9.207,326 2.728,327 4.011,328 3.049,329 6.098,330 3.681,331 2.754,332 3.551,333 0.8,334 8.912,335 2.553,336 3.881,337 2.956,338 5.981,339 3.582,340 2.645,341 3.117,342 0.8,343 8.456,344 2.467,345 3.731,346 2.813,347 5.482,348 3.415,349 2.481,350 2.863,351 0.4,352 7.285,353 2.308,354 3.495,355 2.459,356 5.148,357 3.043,358 2.14,359 2.819,361 6.2,362 1.91,363 3.302,364 2.224,365 4.856,366 2.866,367 1.905,368 2.611,370 5.527,371 1.831,372 2.999,373 1.973,374 4.646,375 2.818,376 1.878,377 2.062,379 4.971,380 1.695,381 2.812,382 1.903,383 4.46,384 2.47,385 1.555,386 1.875,388 4.338,389 1.414,390 2.543,391 1.554,392 4.256,393 2.296,394 1.381,395 1.547,397 3.763,398 1.255,399 2.5,400 1.077,401 3.504,402 2,403 1,404 1.5,406 2.275,407 1,408 2,409 1.074,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.961,418 1,419 3.414,420 1.815,421 0.863,422 0.908,424 2.046,425 0.818,426 1.831,427 0.994,428 3.266,429 1.602,430 0.701,431 0.791,433 1.592,434 0.624,435 1.618,436 0.941,437 3,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 15.881,445 0.481,446 0.704,447 0.021,448 40.75,449 1.235,450 18,451 0.545,452 22.75,453 0.689,454 32.458,455 0.984,456 36.319,457 0.576,458 30.721,459 0.931,460 7.669,461 0.232,462 8.47,463 0.257,464 0.108,466 0.334,472 0.856,473 1.533,474 0.69,475 1.155,476 0.706,477 1.015,478 1.162,479 1.039,480 0.785,481 0.856,482 0.772,483 0.864,484 0.971,485 1.192,486 0.93,487 0.999,488 0.774,489 0.978,490 0.922,491 1.059,492 0.899,493 0.987,494 0.934,495 0.989,496 0.875,497 1.032,498 0.742,499 0.902,500 0.843,501 0.932,502 0.688,503 0.999,504 0.781,505 0.922,506 0.715,507 0.944,508 0.884,509 1.015,510 0.76,511 0.879,512 0.856,513 0.891,514 1.393,515 1.028,516 0.966,517 0.958,518 1.319,519 1.002,520 6.5,521 0.284,522 3.778,523 1.528,524 2.103,525 1.236,526 0.933,527 0.617,528 0.423,529 0.311,530 15430,531 36812,532 2.15,533 47.6,535 21,538 1,540 4,541 4,542 1.758,543 2.041,544 3.495,545 -0.352,550 99.656,551 1.582,552 3.452,553 4.437,554 4.906,555 4.937,556 4.969,557 2.948,558 4.537,559 5.01,560 3.684,561 1944.9,562 8.812,563 28700,568 376.569,569 1.301,570 4.989,571 0.176,572 0.009,573 0.073,574 0.028,575 0.041,576 0.025,577 0.019,578 0.013,579 0.009,580 0.008,581 0.4,582 0.17,583 0.75,584 0.712,585 173.619,586 -0.016,587 -0.291,588 0.056,589 -0.115,590 0.051,591 -0.024,592 -0.047,593 0.102,594 0.048,595 0.105,596 0.13,597 0.081,598 -0.017,599 -0.114,600 -0.017,601 -0.036,602 0.12,603 -0.016,604 0.001,605 -0.002,606 -0.034,607 -0.047,608 0.017,609 -0.034,610 0.057,611 -0.011,612 0.038,613 0.028,614 0.066,615 0.025,616 0.113,617 0.037,618 0.037,619 0.018,620 0.093,621 0.023,622 -0.001,623 0.037,624 0.068,625 0.052,626 0.024,627 0.065,628 -0.188,629 0.039,630 -0.074,631 -0.013,632 -0.191,633 -0.063,634 1.021,635 2.032,636 0.818,637 37.315,638 1,639 1.131,640 3.83,641 14.667,642 0.662,643 3.638,644 3.97,645 4.277,646 4.554,647 4.828,648 4.984,649 5.182,650 5.371,651 5.561,652 5.659,653 7.047,654 0.622,655 468.05,656 3.638,657 5.187,658 6.052,659 6.936,660 7.818,661 8.709,662 9.598,663 10.493,664 11.387,665 12.285,666 7.9,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 63,705 17,706 2,707 37,709 67,710 25,711 14,712 6,713 6,717 5,718 6,719 1,724 5,727 5,729 14,730 11,747 30,748 7,749 1,750 8,751 1,755 5,760 0.8,761 2,771 1,773 1,775 1,776 4,780 1,792 1,796 4,801 2,802 1,805 33,810 8,811 1,812 2,814 1,815 2,824 1,825 3.2,830 2,832 16.167,833 11.86,834 7.306,835 3.954,836 3.18,837 1.386,838 0.992,839 6.881,840 11.426,841 3.839,842 4.431,843 5.022,844 5.615,845 6.243,846 6.618,847 7.066,848 7.531,849 7.97,850 8.19,851 0.875,852 54,853 12.209,854 5.163,855 7.508,856 24.015,857 20.134,859 2.008,860 66.278,864 341.362,865 122.873,866 57.83,867 39.149,868 22,871 122.873,872 402.51,873 57.83,874 21.766,875 18.561,876 56.857,877 33.571,878 67.72,879 4.227,880 341.362,881 39.149,882 341.362,883 180.703,884 22,885 39.149,887 247.193,888 116.169,891 43.739,892 103.393,893 72.72,895 341.362,896 79.83,897 162.022,900 341.362,901 44.249,902 84.872,903 18.011,904 94.719,905 341.362,906 79.83,907 162.022,909 0.579,910 0.348,911 0.189,912 0.104,913 26,914 11,915 0.09,916 6,917 1,918 1.074,919 4.382,920 318.872,921 0.074,922 27,923 152.465,928 22.664,929 10.019,930 4.896,931 1.689,932 79.83,933 11.456,934 9.883,938 4.381,940 18.011,941 583.214,942 45.5,952 62.974,953 71.252,954 0.265,955 0.578,956 0.742,957 0.821,958 0.826,959 0.831,960 5.095,961 1.878,962 6.033,963 5.527,964 4.654,965 5.118,966 1.824,967 6.849,968 4.524,969 6.281,970 1.555,971 7.592,972 4.971,973 4.205,974 4.945,975 0.57,976 7.735,977 3.974,978 7.586,979 1.381,980 9.248,981 4.338,982 6.256,983 7.312,984 1.426,985 10.827,986 6.012,987 8.926,988 1,989 10.96,990 3.763,991 6.635,992 7.977,993 0.479,994 12.522,995 6.299,996 10.298,997 1,998 12.707,999 2.275,1000 8.122,1001 9.834,1002 1.153,1003 15.119,1004 7.772,1005 11.692,1006 0.863,1007 14.479,1008 2.275,1009 8.881,1010 10.905,1011 0.346,1012 17.157,1013 8.455,1014 13.103,1015 0.701,1016 16.268,1017 2.046,1018 10.144,1019 12.556,1020 0.931,1021 19.581,1022 9.694,1023 3.184,1024 0.618,1025 18.071,1026 1.592,1027 11.088,1028 13.841,1029 0.237,1030 21.776,1031 10.575,1032 2.904,1033 10.706,1034 19.883,1035 1.372,1036 12.258,1037 15.405,1038 0.742,1039 24.139,1040 11.716,1041 2.754,1042 9.207,1043 21.703,1044 4.549,1045 13.293,1046 16.801,1047 0.158,1048 26.411,1049 12.699,1050 2.645,1051 8.912,1052 23.53,1053 3.642,1054 14.429,1055 18.329,1056 0.583,1057 28.756,1058 13.801,1059 2.481,1060 8.456,1061 25.362,1062 3.551,1063 15.51,1064 19.783,1065 0.104,1066 31.066,1067 14.836,1068 2.14,1069 7.285,1070 27.2,1071 3.117,1072 16.637,1073 21.298,1074 0.452,1075 33.41,1076 15.927,1077 1.905,1078 6.2,1079 29.041,1080 2.863,1081 17.742,1082 22.781,1083 0.068,1084 35.742,1085 16.99,1086 14406,1087 22509,1088 25.255,1089 41.694,1090 54.905,1091 56.181,1092 56.63,1093 55.262,1094 55.132,1095 68.172,1096 7.44,1097 159.716,1098 51.398,1099 5.611,1100 5.327,1101 6.225,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 13.627,1109 1.484,1110 1.518,1111 1.531,1112 1.494,1113 1.49,1114 1.842,1115 0.201,1116 4.317,1117 1.389,1118 4.096,1119 4.131,1120 4.079,1121 3.986,1122 5.094,1123 4.001,1124 3.913,1125 3.974,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.878,1131 3.902,1132 3.802,1133 3.762,1134 4.762,1135 3.762,1136 3.7,1137 3.767,1138 3.583,1139 3.54,1140 4.5,1141 3.535,1142 3.481,1143 3.52,1144 3.448,1145 3.267,1146 4.403,1147 3.3,1148 3.254,1149 3.319,1150 3.31,1151 2.986,1152 4.372,1153 3.002,1154 3.126,1155 3.209,1156 3.072,1157 2.941,1158 4.162,1159 2.91,1160 3.111,1161 3.206,1162 2.969,1163 2.902,1164 4.036,1165 2.908,1166 0.125,1167 0.09,1168 0.179,1169 0.112,1170 0.086,1171 4.611,1172 0.123,1173 3.327,1174 0.023,1175 6.628,1176 0.289,1177 4.14,1178 0.082,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.011,1185 1.988,1186 2.074,1187 2.143,1188 1.419,1189 2.122,1190 1.865,1191 1.841,1192 2.012,1193 2.002,1194 1.211,1195 2.011,1196 1.822,1197 1.764,1198 1.948,1199 1.944,1200 1.183,1201 1.953,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.048,1207 1.793,1208 1.428,1209 1.373,1210 1.65,1211 1.691,1212 0.95,1213 1.675,1214 1.327,1215 1.259,1216 1.592,1217 1.589,1218 0.825,1219 1.592,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.606,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.174,1236 4.443,1237 8.794,1238 6.293,1239 10.464,1241 3.275,1242 6.074,1247 9.362,1248 3.455,1249 11.064,1251 0.681,1252 4.957,1257 39.212,1258 99.656,1259 217.507,1260 279.549,1261 309.059,1262 311.059,1263 313.059,1264 46.157,1265 8.246,1266 62.75,1267 62.75,1268 29,1269 12.809,1270 4.17,1271 3.248,1272 47.55,1273 137,1274 143,1275 0.167,1276 240.49,1277 413.23,1278 578.555,1279 44062,1280 1.6,1281 22.786,1282 0.69,1283 0.604,1284 23.286,1285 19.938,1286 16.14,1287 0.436,1288 0.324,1289 11.439,1290 15.145,1291 11.136,1292 9.187,1293 16.428,1294 11.975,1295 14.305,1296 0.275,1297 0.176,1298 14.713,1299 9.126,1300 12.639,1301 0.178,1302 0.098,1303 12.928,1304 6.953,1305 10.553,1306 0.112,1307 0.053,1308 10.72,1309 5.014,1310 8.731,1311 0.07,1312 0.028,1313 8.967,1314 3.448,1315 0.259,1316 104.619,1317 0.199,1318 30.466,1319 0.468,1320 178,1321 480.588,1322 210.489,1323 488.652,1324 673.52,1325 462,1326 212,1327 484.123,1328 240.339,1329 499.583,1330 735.67,1331 469,1332 6.892}
{0 CHEMBL487635,1 1.421,2 11.182,3 5.273,4 27.801,5 135.215,6 6.301,7 0.297,8 4.358,9 4.497,10 3.798,11 3.829,12 5.234,13 3.788,14 4.993,15 5.207,16 4.15,17 4.267,18 5.792,19 4.19,20 5.3,21 5.559,22 4.266,23 4.472,24 6.035,25 4.359,26 5.373,27 5.647,28 4.218,29 4.478,30 6.121,31 4.342,32 5.351,33 5.633,34 4.178,35 4.437,36 6.096,37 4.303,38 5.251,39 5.515,40 4.178,41 4.406,42 6.023,43 4.281,44 5.243,45 5.5,46 4.171,47 4.403,48 6.011,49 4.29,50 5.261,51 5.498,52 4.164,53 4.407,54 6.044,55 4.297,56 0.07,57 1.069,58 18.181,59 6.714,60 10.958,61 10.024,62 0.41,63 1.765,64 34.839,65 11.388,66 27.859,67 17.332,68 0.498,69 2.231,70 46.731,71 14.705,72 35.814,73 23.475,74 0.568,75 2.304,76 50.298,77 15.588,78 44.502,79 24.849,80 0.659,81 2.191,82 49.33,83 14.855,84 48.453,85 23.896,86 0.585,87 2.112,88 44.646,89 13.928,90 40.781,91 22.24,92 0.493,93 2.097,94 44.434,95 13.311,96 36.918,97 21.518,98 0.538,99 2.083,100 45.713,101 13.768,102 38.13,103 21.494,104 9,105 51,106 0.224,107 0.444,108 0.635,109 0.759,110 0.78,111 0.785,112 3.532,113 1.049,114 -5.3,115 -5.19,116 -4.85,119 36.1,121 10,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 7,165 3,166 11,169 1,171 3,172 7,175 1,176 5,181 3,183 6,186 2,187 10,190 2,192 3,194 6,197 2,198 3,201 1,205 4,208 4,209 8,212 1,214 2,217 10,220 1,221 6,227 6,231 16,234 1,238 6,242 7,249 4,252 1974,253 23.118,254 23.118,255 23.118,256 23.118,257 23.118,258 21.911,259 36.077,260 13.76,261 23.848,262 18.2,263 18.2,264 18.2,265 18.2,266 18.2,267 16.126,268 59.582,269 6.421,270 19.23,271 4.749,272 3.352,273 2.138,274 1.354,275 1.215,276 1.188,277 4.245,283 1,284 811,285 2.828,287 93.454,288 267.911,289 108.249,292 146.135,295 1.763,296 21.336,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 70.5,308 369,309 4.609,310 3.326,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.167,320 6.189,321 3.843,322 2.904,323 3.578,324 0.86,325 9.207,326 2.728,327 3.895,328 3.045,329 6.098,330 3.677,331 2.752,332 3.121,333 0.8,334 8.912,335 2.545,336 3.745,337 2.852,338 5.981,339 3.541,340 2.602,341 2.855,342 0.8,343 8.454,344 2.444,345 3.552,346 2.541,347 5.445,348 3.364,349 2.404,350 2.813,351 0.4,352 7.165,353 2.291,354 3.317,355 2.23,356 5.074,357 2.932,358 1.982,359 2.43,361 5.959,362 1.88,363 3,364 1.973,365 4.65,366 2.859,367 1.889,368 2.06,370 4.977,371 1.827,372 2.827,373 1.964,374 4.469,375 2.617,376 1.649,377 1.883,379 4.374,380 1.599,381 2.591,382 1.607,383 4.257,384 2.45,385 1.513,386 1.593,388 3.778,389 1.409,390 2.538,391 1.554,392 3.725,393 2.294,394 1.378,395 1.542,397 3.315,398 1.255,399 2.247,400 1.247,401 3.476,402 2.247,403 1.247,404 1.247,406 2.606,407 1.247,408 2,409 1.077,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.949,418 1.061,419 3.414,420 1.815,421 0.862,422 0.902,424 2.046,425 0.818,426 1.826,427 0.988,428 3.264,429 1.604,430 0.698,431 0.782,433 1.579,434 0.627,435 1.618,436 0.932,437 3,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 15.667,445 0.475,446 0.598,447 0.018,448 34.5,449 1.045,450 12,451 0.364,452 22.5,453 0.682,454 38.727,455 1.174,456 38.333,457 0.532,458 24.137,459 0.731,460 5.73,461 0.174,462 10.516,463 0.319,464 0.064,466 0.306,472 0.916,473 1.633,474 0.94,475 1.354,476 0.774,477 1.177,478 1.211,479 1.135,480 1.027,481 1.044,482 0.876,483 1.019,484 0.89,485 1.151,486 0.939,487 1.007,488 0.716,489 0.973,490 0.89,491 1.091,492 0.993,493 1.041,494 0.968,495 1.023,496 1.019,497 0.968,498 0.943,499 0.878,500 1.156,501 0.892,502 0.802,503 1.083,504 0.993,505 1.022,506 0.997,507 1.018,508 1.146,509 1.072,510 1.082,511 0.997,512 1.339,513 1.01,514 1.601,515 1.131,516 1.254,517 1.12,518 1.686,519 1.137,520 5.5,521 0.211,522 3.333,523 1.528,524 1.886,525 1.205,526 0.873,527 0.571,528 0.365,529 0.239,530 15381,531 27516,532 2.168,533 54.2,534 8,535 18,538 1,540 8,541 4,542 1.759,543 2.084,544 3.452,545 -0.382,550 102.283,551 1.421,552 2.818,553 4.032,554 4.816,555 4.955,556 4.982,557 2.89,558 4.476,559 5.011,560 3.657,561 1931.01,562 8.815,563 28480.8,568 444.235,569 1.182,570 4.999,571 0.149,572 0.007,573 0.065,574 0.027,575 0.037,576 0.024,577 0.017,578 0.011,579 0.008,580 0.006,581 0.351,582 0.17,583 0.88,584 0.643,585 173.377,586 0.027,587 -0.284,588 0.096,589 -0.116,590 0.143,591 -0.018,592 -0.003,593 0.043,594 0.018,595 0.022,596 0.162,597 0.017,598 0.048,599 -0.073,600 0.061,601 0.006,602 0.188,603 0.034,604 0.052,605 -0.045,606 0.003,607 -0.063,608 0.094,609 -0.04,610 0.04,611 0.041,612 0.061,613 0.08,614 0.02,615 0.074,616 0.121,617 0.004,618 0.008,619 -0.026,620 0.038,621 -0.023,622 -0.09,623 0.032,624 -0.061,625 -0.009,626 -0.182,627 -0.022,628 -0.204,629 -0.032,630 -0.201,631 -0.119,632 -0.293,633 -0.151,634 0.956,635 2.096,636 0.848,637 36.722,638 0.989,639 1.138,640 4.07,641 16.562,642 0.623,643 3.638,644 3.951,645 4.263,646 4.543,647 4.804,648 5.004,649 5.17,650 5.352,651 5.537,652 5.631,653 6.979,654 0.576,655 453.7,656 3.638,657 5.176,658 6.038,659 6.917,660 7.796,661 8.684,662 9.572,663 10.466,664 11.359,665 12.257,666 6.9,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 72,705 11,706 1,707 37,709 76,710 26,711 8,712 4,713 2,717 5,718 6,724 12,727 12,729 8,730 18,747 39,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,773 1,775 1,776 3,777 1,780 1,792 1,796 4,801 2,805 33,810 14,811 1,812 2,814 2,815 2,825 2.8,830 2,832 15.833,833 13.217,834 7.389,835 4.967,836 2.342,837 1.284,838 0.971,839 7.538,840 10.589,841 3.773,842 4.297,843 4.871,844 5.456,845 6.068,846 6.5,847 6.924,848 7.327,849 7.702,850 7.791,851 1,852 56,853 12.311,854 5.2,855 7.354,856 24.909,857 21.366,859 1.854,860 61.167,864 447.302,865 93.918,866 57.83,868 22,871 93.918,872 469.302,873 57.83,874 21.766,875 33.768,876 18.952,877 51.582,878 43.452,879 4.227,880 447.302,882 447.302,883 151.748,884 22,887 306.049,888 163.253,891 40.936,892 59.231,893 51.582,895 447.302,896 79.83,897 93.918,900 447.302,901 53.199,902 46.967,903 18.011,904 55.571,905 447.302,906 79.83,907 93.918,909 0.571,910 0.345,911 0.192,912 0.103,913 25,914 10,915 0.079,916 6,917 1,918 1.071,919 4.388,920 318.686,921 0.071,922 28,923 152.465,928 23.134,929 10.752,930 5.232,931 1.919,932 79.83,933 4.019,934 10.1,938 3.203,940 18.011,941 621.05,942 42.5,952 71.185,953 81.969,954 0.23,955 0.457,956 0.653,957 0.78,958 0.803,959 0.808,960 5.035,961 1.649,962 6.004,963 4.977,964 4.635,965 4.984,966 1.824,967 6.812,968 4.529,969 6.182,970 1.513,971 7.554,972 4.374,973 4.111,974 4.783,975 0.57,976 7.687,977 3.928,978 7.472,979 1.378,980 9.205,981 3.778,982 6.221,983 7.117,984 1.426,985 10.797,986 6.008,987 8.799,988 1.247,989 10.917,990 3.315,991 6.567,992 7.829,993 0.479,994 12.5,995 6.271,996 10.165,997 1,998 12.667,999 2.606,1000 8.08,1001 9.65,1002 1.153,1003 15.101,1004 7.759,1005 11.557,1006 0.862,1007 14.443,1008 2.275,1009 8.832,1010 10.783,1011 0.346,1012 17.146,1013 8.436,1014 12.969,1015 0.698,1016 16.236,1017 2.046,1018 10.104,1019 12.414,1020 0.931,1021 19.572,1022 9.678,1023 3.184,1024 0.618,1025 18.043,1026 1.579,1027 11.05,1028 13.748,1029 0.237,1030 21.771,1031 10.561,1032 2.904,1033 10.706,1034 19.859,1035 1.372,1036 12.224,1037 15.304,1038 0.742,1039 24.135,1040 11.701,1041 2.752,1042 9.207,1043 21.683,1044 4.548,1045 13.263,1046 16.733,1047 0.158,1048 26.408,1049 12.687,1050 2.602,1051 8.912,1052 23.513,1053 3.578,1054 14.402,1055 18.261,1056 0.583,1057 28.754,1058 13.788,1059 2.404,1060 8.454,1061 25.348,1062 3.121,1063 15.486,1064 19.735,1065 0.104,1066 31.065,1067 14.826,1068 1.982,1069 7.165,1070 27.188,1071 2.855,1072 16.615,1073 21.252,1074 0.452,1075 33.409,1076 15.916,1077 1.889,1078 5.959,1079 29.031,1080 2.813,1081 17.723,1082 22.747,1083 0.068,1084 35.741,1085 16.982,1086 14322,1087 19397,1088 25.542,1089 44.881,1090 54.251,1091 55.26,1092 55.883,1093 54.444,1094 54.475,1095 63.163,1096 7.44,1097 155.303,1098 51.569,1099 5.609,1100 5.326,1101 6.426,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 11.009,1109 1.466,1110 1.494,1111 1.51,1112 1.471,1113 1.472,1114 1.707,1115 0.201,1116 4.197,1117 1.394,1118 4.096,1119 4.133,1120 4.065,1121 3.981,1122 5.085,1123 3.997,1124 3.913,1125 3.973,1126 3.802,1127 3.765,1128 4.763,1129 3.764,1130 3.849,1131 3.907,1132 3.708,1133 3.731,1134 4.499,1135 3.718,1136 3.7,1137 3.767,1138 3.581,1139 3.54,1140 4.391,1141 3.535,1142 3.498,1143 3.545,1144 3.409,1145 3.288,1146 4.331,1147 3.315,1148 3.316,1149 3.392,1150 3.167,1151 3.128,1152 4.163,1153 3.127,1154 3.278,1155 3.364,1156 3.057,1157 3.125,1158 4.075,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.965,1164 3.934,1165 2.975,1166 0.125,1167 0.09,1168 0.179,1169 0.112,1170 0.086,1171 4.609,1172 0.123,1173 3.326,1174 0.023,1175 6.628,1176 0.289,1177 4.139,1178 0.082,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.007,1185 1.984,1186 2.074,1187 2.142,1188 1.419,1189 2.121,1190 1.824,1191 1.764,1192 2.012,1193 2,1194 1.341,1195 2.009,1196 1.717,1197 1.658,1198 1.975,1199 1.884,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.936,1205 1.873,1206 1.211,1207 1.904,1208 1.577,1209 1.507,1210 1.86,1211 1.751,1212 1.165,1213 1.793,1214 1.424,1215 1.365,1216 1.65,1217 1.687,1218 0.95,1219 1.674,1220 1.32,1221 1.253,1222 1.592,1223 1.585,1224 0.825,1225 1.589,1226 1.194,1227 1.12,1228 1.576,1229 1.525,1230 0.612,1231 1.54,1232 4.317,1233 5.631,1234 2.398,1235 7.141,1236 4.595,1237 8.748,1238 6.529,1239 10.41,1241 3.363,1247 17.334,1248 3.803,1249 11.175,1251 1.185,1252 5.065,1257 41.492,1258 102.283,1259 202.898,1260 290.286,1261 346.725,1262 356.725,1263 358.725,1264 48.668,1265 8.246,1266 62.75,1267 62.75,1268 30,1269 12.781,1270 3.585,1271 2.7,1272 47.523,1273 136,1274 143,1275 0.168,1276 250.531,1277 434.14,1278 603.056,1279 44622,1281 22.623,1282 0.686,1283 0.616,1284 22.623,1285 20.314,1286 16.246,1287 0.439,1288 0.35,1289 12.752,1290 15.56,1291 12.477,1292 10.32,1293 16.246,1294 12.942,1295 14.036,1296 0.275,1297 0.194,1298 14.036,1299 9.891,1300 12.478,1301 0.178,1302 0.111,1303 12.478,1304 7.79,1305 10.588,1306 0.114,1307 0.063,1308 10.588,1309 5.85,1310 8.565,1311 0.071,1312 0.034,1313 8.565,1314 4.087,1315 0.26,1316 102.08,1317 0.198,1318 30.431,1319 0.473,1320 176,1321 418.384,1322 192.969,1323 396.055,1324 559.94,1325 378,1326 209,1327 424.978,1328 227.58,1329 428.298,1330 634.46,1331 403,1332 7.438}
{0 CHEMBL487665,1 1.544,2 12.314,3 6.67,4 44.492,5 141.635,6 7.19,7 0.436,8 4.326,9 4.453,10 3.874,11 3.836,12 5.3,13 3.805,14 4.919,15 5.114,16 4.24,17 4.25,18 5.829,19 4.191,20 5.209,21 5.439,22 4.381,23 4.456,24 6.063,25 4.369,26 5.305,27 5.556,28 4.286,29 4.472,30 6.127,31 4.354,32 5.325,33 5.594,34 4.298,35 4.458,36 6.137,37 4.345,38 5.273,39 5.523,40 4.28,41 4.477,42 6.089,43 4.357,44 5.294,45 5.56,46 4.293,47 4.447,48 6.112,49 4.331,50 5.213,51 5.456,52 4.264,53 4.387,54 6.073,55 4.285,56 0.029,57 1.018,58 15.507,59 6.349,60 9.568,61 8.838,62 0.368,63 1.67,64 31.288,65 10.766,66 29.076,67 15.209,68 0.479,69 2.136,70 44.35,71 14.117,72 38.494,73 20.839,74 0.514,75 2.277,76 48.699,77 15.443,78 45.547,79 23.043,80 0.727,81 2.265,82 49.477,83 15.545,84 53.464,85 23.433,86 0.508,87 2.232,88 46.036,89 15.367,90 42.437,91 23.008,92 0.531,93 2.217,94 48.006,95 15.106,96 46.412,97 22.864,98 0.485,99 2.006,100 44.591,101 13.781,102 44.918,103 20.086,104 14,105 54,106 0.243,107 0.526,108 0.7,109 0.814,110 0.831,111 0.835,112 3.589,113 0.998,114 -5.46,115 -5.34,116 -4.98,119 39.1,121 6,124 2,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 7,165 3,166 9,169 1,171 3,172 9,175 2,176 7,181 3,183 7,186 1,187 9,190 2,192 1,194 4,197 4,198 5,201 1,203 1,205 6,208 2,209 6,212 1,214 1,217 7,220 1,221 14,224 1,227 4,231 10,238 3,241 1,242 9,247 2,249 7,252 2315,253 24.273,254 24.273,255 24.273,256 24.273,257 24.273,258 22.289,259 35.634,260 14.332,261 25.141,262 19.166,263 19.166,264 19.166,265 19.166,266 19.166,267 16.002,268 56.688,269 6.683,270 20.475,271 4.565,272 2.767,273 1.664,274 0.942,275 0.833,276 0.804,277 4.3,279 1,283 1,284 942,285 2.915,288 397.803,289 115.835,292 155.715,295 1.809,296 24.174,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 74.833,308 431,309 4.611,310 3.326,311 6.628,312 4.139,313 3.183,314 4.549,315 0.86,316 10.705,317 3.048,318 4.095,319 3.155,320 6.168,321 3.812,322 2.876,323 3.642,324 0.86,325 9.14,326 2.698,327 4.007,328 3.047,329 6.11,330 3.694,331 2.765,332 3.551,333 0.8,334 8.953,335 2.563,336 3.861,337 2.956,338 5.988,339 3.593,340 2.653,341 3.11,342 0.8,343 8.474,344 2.485,345 3.748,346 2.812,347 5.482,348 3.422,349 2.485,350 2.857,351 0.4,352 7.285,353 2.319,354 3.495,355 2.458,356 5.148,357 3.043,358 2.14,359 2.821,361 6.2,362 1.911,363 3.302,364 2.224,365 4.856,366 2.889,367 1.923,368 2.611,370 5.527,371 1.851,372 2.999,373 2.012,374 4.619,375 2.821,376 1.889,377 2.059,379 4.898,380 1.696,381 2.832,382 1.903,383 4.469,384 2.522,385 1.59,386 1.892,388 4.407,389 1.48,390 2.644,391 1.649,392 4.299,393 2.39,394 1.47,395 1.66,397 3.891,398 1.342,399 2.5,400 1.366,401 3.569,402 2.222,403 1.26,404 1.5,406 2.808,407 1.207,408 2.288,409 1.238,410 3.513,411 2.104,412 1.139,413 1.285,415 2.658,416 1.094,417 2.154,418 1.05,419 3.474,420 2,421 1,422 1.152,424 2.275,425 1,426 2,427 1,428 3.414,429 2,430 1,431 1,433 2.136,434 1,435 1.933,436 1,437 3.247,438 1.623,439 0.727,440 0.849,442 1.637,443 0.643,444 16.881,445 0.482,446 0.704,447 0.02,448 41.75,449 1.193,450 18,451 0.514,452 23.75,453 0.679,454 37.223,455 1.064,456 38.919,457 0.564,458 31.899,459 0.911,460 7.664,461 0.219,462 9.476,463 0.271,464 0.102,466 0.314,472 0.853,473 1.532,474 0.722,475 1.176,476 0.702,477 1.045,478 1.145,479 1.072,480 0.812,481 0.906,482 0.761,483 0.912,484 0.927,485 1.16,486 0.891,487 0.97,488 0.729,489 0.946,490 0.916,491 1.131,492 0.924,493 1.041,494 0.871,495 1.045,496 0.837,497 0.914,498 0.699,499 0.808,500 0.785,501 0.843,502 0.719,503 1.111,504 0.825,505 0.997,506 0.742,507 1.011,508 0.811,509 1.006,510 0.757,511 0.896,512 0.791,513 0.909,514 1.332,515 0.984,516 0.919,517 0.895,518 1.21,519 0.94,520 6.5,521 0.295,522 3.778,523 1.813,524 1.982,525 1.216,526 0.979,527 0.668,528 0.421,529 0.346,530 17794,531 40568,532 2.141,533 49.3,534 6,535 21,538 1,540 4,541 2,542 1.773,543 2.039,544 3.566,545 -0.373,550 106.523,551 1.544,552 3.342,553 4.445,554 5.166,555 5.275,556 5.304,557 3.041,558 4.786,559 5.096,560 3.736,561 2222.85,562 8.985,563 34143.8,568 421.488,569 1.271,570 5.076,571 0.167,572 0.008,573 0.07,574 0.03,575 0.037,576 0.022,577 0.018,578 0.012,579 0.008,580 0.007,581 0.378,582 0.17,583 0.63,584 0.686,585 187.515,586 -0.004,587 -0.273,588 0.057,589 -0.107,590 0.07,591 -0.021,592 -0.028,593 0.074,594 0.04,595 0.073,596 0.145,597 0.053,598 0.026,599 -0.074,600 0.025,601 -0.001,602 0.143,603 0.024,604 -0.016,605 -0.078,606 -0.06,607 -0.098,608 0.032,609 -0.084,610 0.103,611 0.098,612 0.098,613 0.111,614 0.121,615 0.109,616 0.059,617 -0.055,618 -0.011,619 -0.042,620 0.053,621 -0.036,622 0.036,623 0.026,624 0.072,625 0.035,626 0.059,627 0.05,628 -0.172,629 0.06,630 -0.023,631 0.043,632 -0.136,633 0.006,634 1.02,635 2.061,636 0.829,637 39.984,638 0.996,639 1.132,640 4.229,641 17.887,642 0.655,643 3.689,644 4.007,645 4.304,646 4.575,647 4.875,648 5.024,649 5.204,650 5.398,651 5.568,652 5.673,653 7.292,654 0.613,655 496.11,656 3.689,657 5.231,658 6.089,659 6.967,660 7.843,661 8.728,662 9.612,663 10.502,664 11.392,665 12.285,666 7.2,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 69,705 17,706 2,707 39,709 73,710 27,711 14,712 6,713 6,717 5,718 6,719 1,724 7,727 7,729 14,730 13,747 34,748 7,749 1,750 8,751 1,755 5,760 0.8,761 2,771 1,776 4,777 1,780 1,792 1,796 4,801 2,802 1,805 35,810 10,811 1,812 2,814 1,815 2,824 1,825 2.9,830 2,832 17.167,833 12.86,834 7.806,835 4.454,836 3.162,837 1.377,838 0.984,839 7.931,840 11.556,841 3.882,842 4.454,843 5.035,844 5.623,845 6.254,846 6.625,847 7.066,848 7.529,849 7.962,850 8.175,851 1,852 61,853 12.968,854 5.45,855 7.479,856 25.648,857 21.467,859 1.979,860 69.278,864 388.446,865 127.942,866 57.83,867 39.149,868 22,871 127.942,872 449.595,873 57.83,874 21.766,875 23.63,876 56.857,877 33.571,878 67.72,879 4.227,880 388.446,881 39.149,882 388.446,883 185.772,884 22,885 39.149,887 317.82,888 92.626,891 48.808,892 103.393,893 72.72,895 388.446,896 79.83,897 167.091,900 388.446,901 49.318,902 84.872,903 18.011,904 94.719,905 388.446,906 79.83,907 167.091,909 0.574,910 0.344,911 0.188,912 0.108,913 26,914 11,915 0.082,916 6,917 1,918 1.069,919 4.499,920 345.063,921 0.069,922 29,923 171.525,928 24.572,929 11.297,930 5.667,931 1.692,932 79.83,933 11.496,934 9.986,938 4.389,940 18.011,941 635.367,942 47.5,952 68.741,953 78.082,954 0.253,955 0.547,956 0.728,957 0.846,958 0.864,959 0.868,960 5.131,961 1.889,962 6.061,963 5.527,964 4.691,965 5.142,966 1.824,967 6.866,968 4.567,969 6.307,970 1.59,971 7.612,972 4.898,973 4.205,974 4.945,975 0.57,976 7.735,977 3.974,978 7.605,979 1.47,980 9.261,981 4.407,982 6.279,983 7.32,984 1.426,985 10.831,986 6.041,987 8.938,988 1.26,989 10.968,990 3.891,991 6.621,992 7.974,993 0.479,994 12.519,995 6.284,996 10.305,997 1.139,998 12.712,999 2.808,1000 8.131,1001 9.835,1002 1.153,1003 15.118,1004 7.786,1005 11.695,1006 1,1007 14.482,1008 2.658,1009 8.868,1010 10.903,1011 0.346,1012 17.154,1013 8.44,1014 13.104,1015 1,1016 16.269,1017 2.275,1018 10.141,1019 12.556,1020 0.931,1021 19.577,1022 9.697,1023 3.183,1024 0.727,1025 18.07,1026 2.136,1027 11.073,1028 13.84,1029 0.237,1030 21.772,1031 10.561,1032 2.876,1033 10.705,1034 19.882,1035 1.637,1036 12.249,1037 15.404,1038 0.742,1039 24.135,1040 11.711,1041 2.765,1042 9.14,1043 21.701,1044 4.549,1045 13.277,1046 16.801,1047 0.158,1048 26.406,1049 12.684,1050 2.653,1051 8.953,1052 23.528,1053 3.642,1054 14.415,1055 18.329,1056 0.583,1057 28.751,1058 13.79,1059 2.485,1060 8.474,1061 25.36,1062 3.551,1063 15.492,1064 19.783,1065 0.104,1066 31.061,1067 14.82,1068 2.14,1069 7.285,1070 27.197,1071 3.11,1072 16.618,1073 21.298,1074 0.452,1075 33.405,1076 15.912,1077 1.923,1078 6.2,1079 29.038,1080 2.857,1081 17.722,1082 22.781,1083 0.068,1084 35.737,1085 16.972,1086 16682,1087 25525,1088 26.641,1089 45.216,1090 57.466,1091 58.486,1092 59.346,1093 57.475,1094 57.352,1095 70.386,1096 7.44,1097 163.955,1098 53.641,1099 5.611,1100 5.326,1101 6.43,1102 5.216,1103 5.183,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 14.178,1109 1.473,1110 1.5,1111 1.522,1112 1.474,1113 1.471,1114 1.805,1115 0.191,1116 4.204,1117 1.375,1118 4.095,1119 4.13,1120 4.078,1121 3.985,1122 5.094,1123 4.001,1124 3.914,1125 3.974,1126 3.966,1127 3.821,1128 4.936,1129 3.814,1130 3.877,1131 3.903,1132 3.795,1133 3.78,1134 4.761,1135 3.773,1136 3.727,1137 3.792,1138 3.605,1139 3.564,1140 4.5,1141 3.563,1142 3.495,1143 3.537,1144 3.458,1145 3.274,1146 4.397,1147 3.308,1148 3.276,1149 3.362,1150 3.323,1151 3.113,1152 4.366,1153 3.09,1154 3.258,1155 3.326,1156 3.091,1157 3.026,1158 4.17,1159 3.037,1160 3.227,1161 3.307,1162 3.066,1163 2.962,1164 4.045,1165 2.97,1166 0.118,1167 0.085,1168 0.17,1169 0.106,1170 0.082,1171 4.611,1172 0.117,1173 3.326,1174 0.022,1175 6.628,1176 0.274,1177 4.139,1178 0.078,1179 3.183,1180 4.549,1181 0.86,1182 10.705,1183 3.048,1184 2.009,1185 1.987,1186 2.102,1187 2.135,1188 1.495,1189 2.112,1190 1.885,1191 1.841,1192 2.057,1193 2.045,1194 1.23,1195 2.067,1196 1.863,1197 1.827,1198 1.952,1199 1.947,1200 1.183,1201 1.957,1202 1.637,1203 1.569,1204 1.876,1205 1.845,1206 1.12,1207 1.853,1208 1.566,1209 1.492,1210 1.806,1211 1.781,1212 1.047,1213 1.8,1214 1.347,1215 1.304,1216 1.593,1217 1.613,1218 0.825,1219 1.603,1220 1.194,1221 1.121,1222 1.576,1223 1.525,1224 0.769,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.598,1231 1.429,1232 4.369,1233 5.687,1235 7.204,1236 2.708,1237 8.813,1238 5.094,1239 10.471,1241 3.286,1242 6.098,1247 11.981,1248 3.475,1249 11.118,1251 0.736,1252 5.021,1257 42.266,1258 106.523,1259 230.577,1260 306.694,1261 356.469,1262 363.978,1263 365.978,1264 51.518,1265 8.394,1266 62.75,1267 62.75,1268 31,1269 12.813,1270 4.17,1271 3.248,1272 51.888,1273 151,1274 167,1275 0.165,1276 259.674,1277 447.83,1278 625.365,1279 54387,1280 1.4,1281 24.2,1282 0.691,1283 0.61,1284 24.7,1285 21.352,1286 17.14,1287 0.439,1288 0.333,1289 12.439,1290 16.145,1291 12.117,1292 10.02,1293 17.428,1294 12.975,1295 15.012,1296 0.278,1297 0.182,1298 15.42,1299 9.833,1300 13.131,1301 0.18,1302 0.102,1303 13.419,1304 7.453,1305 10.944,1306 0.114,1307 0.057,1308 11.111,1309 5.425,1310 9.47,1311 0.073,1312 0.031,1313 9.705,1314 4.079,1315 0.256,1316 110.619,1317 0.194,1318 31.929,1319 0.462,1320 186,1321 488.588,1322 218.489,1323 496.975,1324 685.04,1325 470,1326 220,1327 492.123,1328 248.366,1329 507.907,1330 747.22,1331 477,1332 6.26}
{0 CHEMBL487835,1 1.582,2 11.606,3 4.905,4 24.06,5 128.109,6 7.168,7 0.459,8 4.25,9 4.375,10 3.794,11 3.736,12 5.28,13 3.724,14 4.836,15 5.028,16 4.158,17 4.142,18 5.82,19 4.111,20 5.085,21 5.312,22 4.23,23 4.296,24 6.028,25 4.231,26 5.139,27 5.383,28 4.19,29 4.308,30 6.047,31 4.223,32 5.171,33 5.423,34 4.169,35 4.327,36 6.044,37 4.226,38 5.133,39 5.389,40 4.146,41 4.3,42 6.005,43 4.198,44 5.08,45 5.33,46 4.141,47 4.252,48 6,49 4.169,50 5.031,51 5.25,52 4.123,53 4.208,54 6.004,55 4.145,56 0.024,57 1.016,58 13.876,59 5.704,60 8.341,61 7.758,62 0.372,63 1.647,64 27.75,65 9.451,66 31.245,67 13.166,68 0.472,69 2.016,70 36.765,71 11.731,72 44.884,73 17.247,74 0.532,75 2.02,76 39.333,77 12.513,78 49.826,79 18.53,80 0.653,81 1.989,82 41.026,83 13.022,84 54.083,85 19.726,86 0.566,87 1.966,88 39.264,89 12.78,90 45.157,91 19.237,92 0.492,93 1.9,94 37.132,95 11.582,96 47.718,97 17.585,98 0.447,99 1.834,100 35.026,101 11.064,102 43.632,103 15.681,104 14,105 52,106 0.254,107 0.553,108 0.711,109 0.786,110 0.791,111 0.797,112 3.532,113 0.94,114 -4.96,115 -4.86,116 -4.56,119 39.7,121 4,124 2,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 11,169 1,171 3,172 4,175 1,176 5,181 3,183 3,186 2,187 10,190 2,192 1,194 6,197 2,198 3,201 1,205 4,208 4,209 6,212 1,214 2,217 8,220 1,221 6,227 4,231 12,234 1,238 4,242 5,249 4,252 1993,253 22.859,254 22.859,255 22.859,256 22.859,257 22.859,258 20.875,259 37.704,260 13.346,261 23.651,262 18.166,263 18.166,264 18.166,265 18.166,266 18.166,267 15.002,268 60.244,269 6.207,270 19.322,271 4.395,272 2.525,273 1.54,274 1.072,275 1.04,276 1.008,277 4.242,282 1,283 1,284 842,285 2.915,287 94.287,288 369.206,292 148.771,295 1.739,296 29.901,299 1,300 0.83,301 1,302 1,303 0.5,304 1,305 1,306 0.9,307 72,308 383,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.167,320 6.189,321 3.843,322 2.904,323 3.642,324 0.86,325 9.207,326 2.728,327 4.011,328 3.048,329 6.098,330 3.682,331 2.754,332 3.551,333 0.8,334 8.912,335 2.565,336 3.881,337 2.942,338 5.981,339 3.591,340 2.645,341 3.117,342 0.8,343 8.456,344 2.486,345 3.731,346 2.807,347 5.482,348 3.422,349 2.481,350 2.863,351 0.4,352 7.285,353 2.321,354 3.495,355 2.455,356 5.148,357 3.071,358 2.14,359 2.819,361 6.2,362 1.979,363 3.302,364 2.224,365 4.856,366 2.869,367 1.905,368 2.611,370 5.527,371 1.836,372 2.999,373 1.973,374 4.646,375 2.83,376 1.878,377 2.062,379 4.971,380 1.775,381 2.812,382 1.902,383 4.46,384 2.471,385 1.555,386 1.875,388 4.338,389 1.421,390 2.543,391 1.554,392 4.256,393 2.296,394 1.381,395 1.547,397 3.763,398 1.257,399 2.5,400 1.077,401 3.504,402 2,403 1,404 1.5,406 2.275,407 1,408 2,409 1.073,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.961,418 1,419 3.414,420 1.815,421 0.863,422 0.908,424 2.046,425 0.818,426 1.831,427 0.993,428 3.266,429 1.604,430 0.701,431 0.791,433 1.592,434 0.628,435 1.618,436 0.94,437 3,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 15.452,445 0.468,446 0.704,447 0.021,448 40.75,449 1.235,450 18,451 0.545,452 22.75,453 0.689,454 31.573,455 0.957,456 36.748,457 0.583,458 31.605,459 0.958,460 7.8,461 0.236,462 8.339,463 0.253,464 0.083,466 0.343,470 1,472 0.775,473 1.387,474 0.788,475 1.238,476 0.57,477 1.052,478 1.027,479 1,480 0.9,481 0.931,482 0.606,483 0.898,484 0.946,485 1.137,486 0.963,487 1.018,488 0.786,489 0.985,490 0.858,491 0.963,492 0.978,493 0.993,494 0.753,495 0.995,496 0.713,497 0.849,498 0.924,499 0.93,500 0.468,501 0.957,502 0.628,503 0.891,504 0.897,505 0.95,506 0.539,507 0.961,508 0.763,509 0.895,510 0.9,511 0.921,512 0.571,513 0.917,514 1.234,515 1.027,516 1.107,517 1.046,518 0.934,519 1.041,520 6.5,521 0.284,522 3.778,523 1.528,524 2.103,525 1.236,526 0.933,527 0.617,528 0.423,529 0.311,530 15430,531 36812,532 2.15,533 47.6,535 21,538 1,540 4,541 4,542 1.758,543 2.041,544 3.495,545 -0.352,550 99.656,551 1.582,552 3.452,553 4.437,554 4.906,555 4.937,556 4.969,557 2.948,558 4.537,559 5.01,560 3.684,561 1944.9,562 8.812,563 28700,565 1,568 376.569,569 1.301,570 4.989,571 0.176,572 0.009,573 0.073,574 0.028,575 0.041,576 0.025,577 0.019,578 0.013,579 0.009,580 0.008,581 0.4,582 0.17,583 0.88,584 0.712,585 173.619,586 -0.021,587 -0.247,588 0.078,589 -0.124,590 0.014,591 -0.024,592 -0.046,593 0.037,594 0.048,595 0.07,596 0.08,597 0.07,598 -0.031,599 -0.109,600 -0.002,601 -0.037,602 0.048,603 -0.013,604 -0.014,605 0.001,606 -0.018,607 -0.032,608 -0.016,609 -0.026,610 0.062,611 0.015,612 0.029,613 0.031,614 0.055,615 0.023,616 0.085,617 0.02,618 0.05,619 0.015,620 0.038,621 0.024,622 0.017,623 0.033,624 0.056,625 0.035,626 0.047,627 0.056,628 -0.157,629 -0.039,630 -0.127,631 -0.08,632 -0.084,633 -0.089,634 1.943,635 5.417,636 0.818,637 37.315,638 1.003,639 1.137,640 3.728,641 13.898,642 0.647,643 3.638,644 3.97,645 4.277,646 4.554,647 4.828,648 4.984,649 5.182,650 5.371,651 5.561,652 5.659,653 7.047,654 0.615,655 451.6,656 3.638,657 5.187,658 6.052,659 6.936,660 7.818,661 8.709,662 9.598,663 10.493,664 11.387,665 12.285,666 7.9,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 63,705 17,706 2,707 37,709 67,710 25,711 14,712 6,713 6,717 5,718 6,724 5,727 5,729 14,730 11,745 1,747 30,748 8,749 1,750 8,755 5,760 0.8,761 2,771 1,773 1,775 1,776 4,780 1,792 1,796 4,801 2,803 1,805 33,810 8,811 1,812 2,814 1,815 2,824 1,825 3.2,830 2,832 16.167,833 11.86,834 7.306,835 3.954,836 3.18,837 1.386,838 0.994,839 6.631,840 11.426,841 3.839,842 4.431,843 5.022,844 5.615,845 6.243,846 6.618,847 7.066,848 7.531,849 7.97,850 8.19,851 0.875,852 54,853 12.245,854 5.228,855 7.626,856 23.876,857 20.025,859 2.126,860 70.167,863 1,864 341.362,865 128.493,866 57.83,868 22,869 14.96,871 128.493,872 363.362,873 72.791,874 21.766,875 18.561,876 56.857,877 33.571,878 73.341,879 19.187,880 341.362,882 341.362,883 186.324,884 36.96,887 262.153,888 116.169,891 43.739,892 109.013,893 33.571,895 356.322,896 79.83,897 128.493,900 341.362,901 49.87,902 84.872,903 18.011,904 70.531,905 341.362,906 94.79,907 128.493,909 0.579,910 0.348,911 0.189,912 0.104,913 26,914 11,915 0.09,916 6,917 1,918 1.074,919 4.382,920 318.872,921 0.074,922 27,923 154.465,928 22.331,929 9.799,930 4.766,931 1.58,932 94.79,933 10.019,934 9.783,938 3.055,940 18.011,941 564.646,942 45.5,952 63.163,953 71.648,954 0.265,955 0.578,956 0.742,957 0.821,958 0.826,959 0.831,960 5.095,961 1.878,962 6.033,963 5.527,964 4.654,965 5.118,966 1.824,967 6.849,968 4.537,969 6.281,970 1.555,971 7.592,972 4.971,973 4.205,974 4.945,975 0.57,976 7.735,977 4.007,978 7.586,979 1.381,980 9.248,981 4.338,982 6.256,983 7.312,984 1.426,985 10.827,986 6.03,987 8.926,988 1,989 10.96,990 3.763,991 6.635,992 7.977,993 0.479,994 12.522,995 6.327,996 10.298,997 1,998 12.707,999 2.275,1000 8.122,1001 9.834,1002 1.153,1003 15.119,1004 7.791,1005 11.692,1006 0.863,1007 14.479,1008 2.275,1009 8.881,1010 10.905,1011 0.346,1012 17.157,1013 8.477,1014 13.103,1015 0.701,1016 16.268,1017 2.046,1018 10.144,1019 12.556,1020 0.931,1021 19.581,1022 9.712,1023 3.184,1024 0.618,1025 18.071,1026 1.592,1027 11.088,1028 13.841,1029 0.237,1030 21.776,1031 10.594,1032 2.904,1033 10.706,1034 19.883,1035 1.372,1036 12.258,1037 15.405,1038 0.742,1039 24.139,1040 11.732,1041 2.754,1042 9.207,1043 21.703,1044 4.549,1045 13.293,1046 16.801,1047 0.158,1048 26.411,1049 12.713,1050 2.645,1051 8.912,1052 23.53,1053 3.642,1054 14.429,1055 18.329,1056 0.583,1057 28.756,1058 13.814,1059 2.481,1060 8.456,1061 25.362,1062 3.551,1063 15.51,1064 19.783,1065 0.104,1066 31.066,1067 14.848,1068 2.14,1069 7.285,1070 27.2,1071 3.117,1072 16.637,1073 21.298,1074 0.452,1075 33.41,1076 15.937,1077 1.905,1078 6.2,1079 29.041,1080 2.863,1081 17.742,1082 22.781,1083 0.068,1084 35.742,1085 16.999,1086 14406,1087 22509,1088 25.255,1089 40.773,1090 54.905,1091 56.15,1092 56.63,1093 55.161,1094 55.132,1095 68.172,1096 7.44,1097 159.716,1098 51.845,1099 5.611,1100 5.327,1101 6.225,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 13.627,1109 1.484,1110 1.518,1111 1.531,1112 1.491,1113 1.49,1114 1.842,1115 0.201,1116 4.317,1117 1.401,1118 4.097,1119 4.132,1120 4.069,1121 3.984,1122 8.201,1123 4.001,1124 3.913,1125 3.974,1126 3.833,1127 3.803,1128 5.089,1129 3.805,1130 3.882,1131 3.912,1132 3.802,1133 3.762,1134 4.773,1135 3.762,1136 3.7,1137 3.767,1138 3.581,1139 3.54,1140 4.645,1141 3.535,1142 3.482,1143 3.522,1144 3.404,1145 3.264,1146 4.497,1147 3.299,1148 3.254,1149 3.319,1150 3.103,1151 2.981,1152 4.39,1153 2.999,1154 3.126,1155 3.21,1156 3.01,1157 2.941,1158 4.164,1159 2.91,1160 3.118,1161 3.206,1162 2.96,1163 2.89,1164 4.086,1165 2.902,1166 0.125,1167 0.09,1168 0.179,1169 0.112,1170 0.086,1171 4.611,1172 0.123,1173 3.327,1174 0.023,1175 6.628,1176 0.289,1177 4.14,1178 0.082,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.011,1185 1.988,1186 2.074,1187 2.143,1188 1.419,1189 2.122,1190 1.862,1191 1.835,1192 2.013,1193 2.004,1194 1.211,1195 2.012,1196 1.822,1197 1.764,1198 1.957,1199 1.96,1200 1.182,1201 1.96,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.037,1207 1.793,1208 1.428,1209 1.372,1210 1.65,1211 1.691,1212 0.95,1213 1.675,1214 1.326,1215 1.259,1216 1.592,1217 1.591,1218 0.825,1219 1.592,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.606,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.174,1236 4.443,1237 8.794,1238 6.293,1239 10.464,1241 3.225,1243 13.417,1247 9.179,1248 3.347,1249 11.005,1251 0.658,1252 4.899,1257 38.768,1258 99.656,1259 217.507,1260 279.549,1261 309.059,1262 311.059,1263 313.059,1264 51.333,1265 8.246,1266 62.75,1267 62.75,1268 29,1269 12.809,1270 4.17,1271 3.248,1272 47.55,1273 137,1274 143,1275 0.167,1276 233.355,1277 404.09,1278 561.146,1279 44062,1280 1.6,1281 22.786,1282 0.69,1283 0.581,1284 21.916,1285 19.182,1286 16.14,1287 0.436,1288 0.313,1289 11.384,1290 15.335,1291 11.136,1292 9.187,1293 15.746,1294 11.597,1295 14.305,1296 0.275,1297 0.167,1298 13.683,1299 8.69,1300 12.639,1301 0.178,1302 0.094,1303 12.228,1304 6.701,1305 10.553,1306 0.112,1307 0.052,1308 10.411,1309 4.888,1310 8.731,1311 0.07,1312 0.027,1313 8.44,1314 3.312,1315 0.259,1316 102.309,1317 0.199,1318 30.466,1319 0.468,1320 178,1321 540.495,1322 198.8,1323 488.652,1324 673.52,1325 462,1326 212,1327 500.593,1328 233.49,1329 499.583,1330 735.67,1331 469,1332 6.495}
{0 CHEMBL487836,1 1.634,2 12.242,3 4.364,4 19.041,5 131.449,6 7.493,7 0.472,8 4.242,9 4.363,10 3.811,11 3.716,12 5.305,13 3.702,14 4.801,15 4.992,16 4.168,17 4.106,18 5.795,19 4.071,20 5.028,21 5.234,22 4.288,23 4.295,24 5.996,25 4.23,26 5.152,27 5.388,28 4.229,29 4.333,30 6.073,31 4.24,32 5.22,33 5.477,34 4.206,35 4.325,36 6.12,37 4.226,38 5.142,39 5.391,40 4.193,41 4.303,42 6.059,43 4.207,44 5.093,45 5.331,46 4.202,47 4.274,48 6.037,49 4.187,50 5.052,51 5.279,52 4.175,53 4.244,54 5.98,55 4.159,56 0.057,57 0.922,58 13.563,59 5.538,60 11.512,61 7.513,62 0.445,63 1.453,64 27.525,65 8.971,66 34.072,67 12.429,68 0.524,69 1.784,70 36.335,71 11.306,72 42.108,73 16.406,74 0.54,75 1.95,76 41.297,77 12.895,78 48.651,79 18.98,80 0.768,81 1.959,82 44.809,83 13.482,84 66.678,85 20.156,86 0.671,87 1.878,88 41.176,89 12.825,90 54.297,91 18.945,92 0.588,93 1.805,94 38.653,95 11.849,96 53.614,97 17.601,98 0.521,99 1.693,100 37.301,101 11.564,102 45.078,103 16.448,104 37,105 50,106 0.263,107 0.594,108 0.769,109 0.818,110 0.823,111 0.828,112 3.532,113 0.952,114 -4.11,115 -4.05,116 -3.84,119 38.1,121 2,124 3,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 3,165 3,166 9,169 1,171 3,172 6,175 1,176 5,179 1,181 3,183 5,186 2,187 10,190 2,192 1,194 2,197 2,198 3,201 1,203 3,205 4,208 4,209 4,212 1,214 2,217 8,220 1,221 7,224 1,227 5,231 8,234 1,238 5,242 7,245 2,249 5,252 2026,253 22.574,254 22.574,255 22.574,256 22.574,257 22.574,258 20.591,259 35.406,260 13.236,261 23.482,262 17.605,263 17.605,264 17.605,265 17.605,266 17.605,267 14.441,268 57.684,269 6.051,270 18.969,271 4.343,272 2.284,273 1.195,274 0.893,275 0.861,276 0.83,277 4.228,279 1,283 1,284 858,285 3.606,288 380.217,292 152.793,295 1.826,296 28.779,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 71.833,308 404,309 4.611,310 3.326,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.097,319 3.146,320 6.16,321 3.808,322 2.872,323 3.642,324 0.86,325 9.111,326 2.691,327 4.009,328 3.011,329 6.035,330 3.663,331 2.729,332 3.551,333 0.8,334 8.62,335 2.546,336 3.85,337 2.945,338 5.952,339 3.565,340 2.629,341 3.115,342 0.8,343 8.337,344 2.448,345 3.688,346 2.803,347 5.482,348 3.402,349 2.47,350 2.855,351 0.4,352 7.284,353 2.291,354 3.494,355 2.458,356 5.148,357 3.042,358 2.138,359 2.755,361 6.2,362 1.907,363 3.302,364 2.224,365 4.855,366 2.824,367 1.893,368 2.611,370 5.527,371 1.699,372 2.923,373 1.907,374 4.586,375 2.671,376 1.73,377 2.008,379 4.709,380 1.619,381 2.756,382 1.895,383 4.385,384 2.439,385 1.533,386 1.799,388 4.129,389 1.38,390 2.5,391 1.587,392 4.114,393 2.226,394 1.312,395 1.5,397 3.464,398 1.192,399 2.422,400 1.236,401 3.494,402 2,403 1,404 1.417,406 2.275,407 1,408 2,409 1.077,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.948,418 1.034,419 3.414,420 1.738,421 0.833,422 0.884,424 1.64,425 0.747,426 1.807,427 1,428 2.951,429 1.597,430 0.7,431 0.779,433 1.333,434 0.62,435 1.529,436 0.991,437 2.928,438 1.225,439 0.377,440 0.413,442 0.531,443 0.317,444 15.714,445 0.476,446 0.742,447 0.022,448 40.5,449 1.227,450 18,451 0.545,452 22.5,453 0.682,454 32.049,455 0.971,456 37.086,457 0.589,458 32.631,459 0.989,460 8.041,461 0.244,462 7.975,463 0.242,464 0.162,466 0.337,472 0.912,473 1.581,474 0.707,475 1.182,476 0.873,477 1.032,478 1.179,479 0.979,480 0.785,481 0.788,482 0.859,483 0.808,484 0.932,485 1.229,486 0.94,487 1.006,488 0.774,489 0.986,490 0.837,491 1.13,492 0.915,493 1.061,494 0.722,495 1.057,496 0.912,497 0.983,498 0.723,499 0.846,500 0.969,501 0.881,502 0.811,503 0.953,504 0.79,505 0.877,506 0.943,507 0.91,508 0.896,509 1.057,510 0.802,511 0.923,512 0.949,513 0.95,514 1.188,515 0.964,516 0.942,517 0.925,518 0.87,519 0.982,520 7,521 0.326,522 4,523 1.875,524 2.173,525 1.271,526 0.969,527 0.686,528 0.459,529 0.351,530 14342,531 39540,532 2.061,533 47.6,535 24,538 2,541 4,542 1.758,543 1.922,544 3.538,545 0.222,550 102.958,551 1.634,552 3.693,553 4.782,554 5.084,555 5.116,556 5.148,557 3.037,558 4.658,559 5.007,560 3.711,561 1959.36,562 8.811,563 28987.7,568 376.569,569 1.434,570 4.971,571 0.194,572 0.011,573 0.08,574 0.034,575 0.043,576 0.025,577 0.019,578 0.014,579 0.01,580 0.009,581 0.439,582 0.33,583 0.88,584 1.186,585 173.907,586 -0.06,587 -0.311,588 0.039,589 -0.116,590 -0.066,591 -0.03,592 -0.098,593 0.171,594 0.057,595 0.178,596 0.006,597 0.139,598 -0.017,599 -0.11,600 -0.031,601 -0.022,602 0.024,603 -0.016,604 -0.014,605 -0.052,606 -0.065,607 -0.109,608 -0.008,609 -0.091,610 0.018,611 0.012,612 0.067,613 0.077,614 -0.022,615 0.078,616 0.042,617 0.085,618 0.032,619 0.063,620 -0.023,621 0.056,622 -0.016,623 0.005,624 0.018,625 0.019,626 -0.048,627 0.01,628 -0.172,629 0.102,630 -0.061,631 0.027,632 -0.125,633 -0.029,634 1.324,635 3.239,636 0.667,637 38.393,638 1.005,639 1.134,640 2.877,641 8.278,642 0.653,643 3.611,644 3.932,645 4.22,646 4.477,647 4.779,648 4.927,649 5.124,650 5.303,651 5.489,652 5.572,653 7.127,654 0.618,655 472.04,656 3.611,657 5.153,658 6.009,659 6.889,660 7.765,661 8.653,662 9.54,663 10.433,664 11.325,665 12.223,666 7.9,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 63,705 17,706 2,707 36,709 66,710 24,711 14,712 6,713 6,717 4,718 5,719 1,721 1,724 3,727 3,729 14,730 10,747 30,748 8,749 2,750 9,751 1,755 5,760 0.75,761 3,762 1,771 1,776 4,780 1,792 1,794 1,796 3,801 3,802 1,805 33,809 1,810 6,811 1,812 2,814 1,815 2,824 1,825 4.8,826 1,830 2,832 17.167,833 12.06,834 7.472,835 3.654,836 3.203,837 1.399,838 0.947,839 7.884,840 11.222,841 3.818,842 4.407,843 4.996,844 5.59,845 6.231,846 6.607,847 7.057,848 7.522,849 7.961,850 8.176,851 1,852 55,853 12.173,854 5.05,855 7.66,856 23.498,857 19.056,859 2.16,860 71.278,864 329.591,865 124.094,866 57.83,867 39.149,868 64.683,871 124.094,872 433.423,873 57.83,874 30.162,875 11.386,876 99.541,877 33.571,878 67.72,879 4.227,880 329.591,881 39.149,882 329.591,883 181.925,884 64.683,885 39.149,887 282.506,888 69.084,889 42.683,891 36.564,892 111.789,893 72.72,895 329.591,896 122.514,897 163.243,900 329.591,901 37.075,902 93.269,903 18.011,904 137.403,905 329.591,906 122.514,907 163.243,909 0.573,910 0.344,911 0.184,912 0.105,913 23,914 11,915 0.121,916 8,917 1,918 1.091,919 4.279,920 309.924,921 0.091,922 22,923 156.465,928 23.984,929 10.847,930 5.503,931 1.609,932 122.514,933 11.287,934 9.77,938 4.163,940 60.694,941 615.348,942 44.5,952 63.301,953 71.461,954 0.273,955 0.618,956 0.8,957 0.851,958 0.856,959 0.861,960 5.064,961 1.73,962 5.994,963 5.527,964 4.615,965 5.094,966 1.824,967 6.808,968 4.478,969 6.256,970 1.533,971 7.556,972 4.709,973 4.205,974 4.945,975 0.57,976 7.703,977 3.974,978 7.563,979 1.312,980 9.215,981 4.129,982 6.217,983 7.298,984 1.426,985 10.784,986 5.965,987 8.904,988 1,989 10.928,990 3.464,991 6.608,992 7.97,993 0.479,994 12.471,995 6.272,996 10.277,997 1,998 12.676,999 2.275,1000 8.083,1001 9.827,1002 1.153,1003 15.069,1004 7.729,1005 11.672,1006 0.833,1007 14.447,1008 2.275,1009 8.846,1010 10.9,1011 0.346,1012 17.1,1013 8.42,1014 13.084,1015 0.7,1016 16.235,1017 1.64,1018 10.103,1019 12.553,1020 0.931,1021 19.526,1022 9.653,1023 3.184,1024 0.377,1025 18.036,1026 1.333,1027 11.048,1028 13.839,1029 0.237,1030 21.719,1031 10.538,1032 2.872,1033 10.706,1034 19.846,1035 0.531,1036 12.216,1037 15.403,1038 0.742,1039 24.085,1040 11.677,1041 2.729,1042 9.111,1043 21.664,1044 4.549,1045 13.251,1046 16.8,1047 0.158,1048 26.358,1049 12.661,1050 2.629,1051 8.62,1052 23.49,1053 3.642,1054 14.386,1055 18.328,1056 0.583,1057 28.707,1058 13.763,1059 2.47,1060 8.337,1061 25.321,1062 3.551,1063 15.467,1064 19.783,1065 0.104,1066 31.02,1067 14.799,1068 2.138,1069 7.284,1070 27.157,1071 3.115,1072 16.593,1073 21.298,1074 0.452,1075 33.368,1076 15.891,1077 1.893,1078 6.2,1079 28.998,1080 2.855,1081 17.7,1082 22.781,1083 0.068,1084 35.703,1085 16.955,1086 13969,1087 23366,1088 23.868,1089 41.148,1090 53.19,1091 54.431,1092 55.783,1093 53.265,1094 53.162,1095 66.202,1096 7.44,1097 153.086,1098 49.271,1099 5.611,1100 5.326,1101 6.397,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 17.75,1109 1.478,1110 1.512,1111 1.55,1112 1.48,1113 1.477,1114 1.839,1115 0.207,1116 4.252,1117 1.369,1118 4.094,1119 4.128,1120 4.078,1121 3.985,1122 6.456,1123 4,1124 3.878,1125 3.927,1126 3.966,1127 3.82,1128 5.094,1129 3.813,1130 3.865,1131 3.9,1132 3.755,1133 3.71,1134 4.936,1135 3.712,1136 3.587,1137 3.653,1138 3.511,1139 3.355,1140 4.762,1141 3.378,1142 3.459,1143 3.504,1144 3.397,1145 3.243,1146 4.5,1147 3.264,1148 3.254,1149 3.319,1150 3.288,1151 2.987,1152 4.394,1153 3.002,1154 3.191,1155 3.273,1156 3.072,1157 2.941,1158 4.34,1159 2.928,1160 3.114,1161 3.206,1162 3.006,1163 2.923,1164 4.104,1165 2.91,1166 0.128,1167 0.092,1168 0.184,1169 0.115,1170 0.088,1171 4.611,1172 0.126,1173 3.326,1174 0.024,1175 6.628,1176 0.297,1177 4.14,1178 0.085,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.988,1186 2.077,1187 2.143,1188 1.419,1189 2.123,1190 1.865,1191 1.841,1192 2.02,1193 2.017,1194 1.183,1195 2.024,1196 1.831,1197 1.773,1198 1.949,1199 1.944,1200 1.048,1201 1.954,1202 1.522,1203 1.451,1204 1.784,1205 1.78,1206 1.026,1207 1.783,1208 1.369,1209 1.328,1210 1.598,1211 1.634,1212 0.825,1213 1.618,1214 1.196,1215 1.122,1216 1.576,1217 1.525,1218 0.66,1219 1.54,1220 1.153,1221 1.064,1222 1.53,1223 1.459,1224 0.597,1225 1.482,1226 1.153,1227 1.063,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.29,1233 5.609,1235 7.135,1237 8.754,1239 10.424,1241 5.298,1242 6.055,1246 9.239,1247 4.538,1248 3.417,1249 11.012,1251 0.449,1252 4.44,1257 38.927,1258 102.958,1259 232.687,1260 301.284,1261 320.304,1262 322.304,1263 324.304,1264 56,1265 8.019,1266 82.98,1267 82.98,1268 24,1269 12.748,1270 4.17,1271 3.248,1272 54.03,1273 138,1274 174,1275 0.19,1276 242.287,1277 417.08,1278 582.94,1279 32489,1280 1.6,1281 23.372,1282 0.708,1283 0.605,1284 23.872,1285 19.971,1286 16.016,1287 0.445,1288 0.317,1289 10.86,1290 14.926,1291 10.516,1292 8.716,1293 16.305,1294 11.423,1295 14.026,1296 0.281,1297 0.172,1298 14.434,1299 8.587,1300 12.121,1301 0.181,1302 0.095,1303 12.41,1304 6.372,1305 9.913,1306 0.114,1307 0.05,1308 10.08,1309 4.323,1310 8.356,1311 0.071,1312 0.026,1313 8.592,1314 3.047,1315 0.295,1316 104.668,1317 0.205,1318 30.446,1319 0.532,1320 172,1321 506.737,1322 205.595,1323 509.558,1324 690.16,1325 480,1326 203,1327 482.286,1328 232.057,1329 499.136,1330 730.63,1331 466,1332 7.009}
{0 CHEMBL488018,1 1.65,2 11.676,3 5.111,4 26.118,5 128.325,6 7.454,7 0.447,8 4.257,9 4.379,10 3.827,11 3.734,12 5.33,13 3.733,14 4.844,15 5.032,16 4.204,17 4.14,18 5.882,19 4.123,20 5.099,21 5.32,22 4.307,23 4.294,24 6.218,25 4.248,26 5.148,27 5.388,28 4.239,29 4.306,30 6.132,31 4.234,32 5.18,33 5.428,34 4.196,35 4.326,36 6.1,37 4.234,38 5.14,39 5.393,40 4.196,41 4.299,42 6.079,43 4.208,44 5.089,45 5.335,46 4.21,47 4.249,48 6.081,49 4.186,50 5.048,51 5.26,52 4.225,53 4.204,54 6.152,55 4.168,56 0.076,57 1.083,58 13.165,59 5.733,60 7.945,61 7.491,62 0.463,63 1.744,64 27.224,65 9.495,66 31.819,67 12.759,68 0.795,69 2.248,70 37.073,71 11.798,72 89.13,73 16.754,74 0.736,75 2.1,76 39.505,77 12.536,78 65.243,79 18.163,80 0.822,81 2.041,82 41.415,83 13.056,84 67.893,85 19.324,86 0.731,87 2.026,88 39.414,89 12.786,90 56.502,91 19.032,92 0.616,93 2.011,94 37.291,95 11.632,96 51.601,97 17.148,98 0.714,99 2.028,100 35.366,101 11.118,102 59.892,103 15.09,104 21,105 54,106 0.265,107 0.563,108 0.721,109 0.802,110 0.812,111 0.817,112 3.561,113 0.924,114 -5.06,115 -4.96,116 -4.65,119 39.7,121 4,124 2,125 4,127 1,138 5,139 1,140 5,142 1,143 1,146 1,163 3,165 3,166 11,169 1,171 3,172 3,175 1,176 5,181 2,183 2,186 2,187 10,190 2,192 1,194 6,197 2,198 2,201 1,205 3,208 4,209 6,212 1,214 2,217 7,220 1,221 4,227 3,231 11,234 1,238 4,242 4,249 2,252 2198,253 23.359,254 23.359,255 23.359,256 23.359,257 23.359,258 21.322,259 38.28,260 13.512,261 24.194,262 18.634,263 18.634,264 18.634,265 18.634,266 18.634,267 15.389,268 61.805,269 6.26,270 19.89,271 4.327,272 2.464,273 1.478,274 0.976,275 0.913,276 0.881,277 4.268,282 1,283 1,284 869,285 3,287 97.188,288 382.101,292 153.95,295 1.754,296 40.628,299 1,300 0.83,301 1,302 1,303 0.5,304 1,305 1,306 0.9,307 75.5,308 397,309 4.611,310 3.336,311 6.628,312 4.141,313 3.185,314 4.549,315 0.86,316 10.707,317 3.049,318 4.218,319 3.284,320 6.189,321 3.843,322 2.904,323 3.872,324 0.86,325 9.207,326 2.728,327 4.083,328 3.167,329 6.098,330 3.777,331 2.835,332 3.575,333 0.8,334 8.914,335 2.662,336 3.892,337 3.042,338 5.993,339 3.662,340 2.741,341 3.126,342 0.8,343 8.519,344 2.517,345 3.741,346 2.83,347 5.938,348 3.464,349 2.536,350 2.908,351 0.4,352 8.247,353 2.343,354 3.553,355 2.457,356 5.369,357 3.154,358 2.216,359 2.826,361 6.792,362 2.061,363 3.329,364 2.224,365 5.022,366 2.874,367 1.915,368 2.666,370 5.793,371 1.84,372 2.999,373 2.104,374 4.648,375 2.842,376 1.882,377 2.063,379 4.973,380 1.793,381 2.822,382 1.973,383 4.464,384 2.472,385 1.556,386 1.949,388 4.345,389 1.422,390 2.811,391 1.886,392 4.256,393 2.353,394 1.414,395 1.875,397 3.765,398 1.311,399 2.543,400 1.554,401 4.041,402 2.296,403 1.381,404 1.547,406 3.522,407 1.257,408 2,409 1.077,410 3.51,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.962,418 1.072,419 3.414,420 1.815,421 0.863,422 0.908,424 2.047,425 0.818,426 1.831,427 0.993,428 3.267,429 1.605,430 0.702,431 0.792,433 1.601,434 0.629,435 1.618,436 0.941,437 3,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 15.738,445 0.463,446 0.794,447 0.023,448 41.5,449 1.221,450 18,451 0.529,452 23.5,453 0.691,454 33.166,455 0.975,456 38.262,457 0.607,458 33.616,459 0.989,460 8.019,461 0.236,462 8.531,463 0.251,464 0.1,466 0.369,470 2,472 0.706,473 1.29,474 0.741,475 1.237,476 0.526,477 1.043,478 0.911,479 0.972,480 0.847,481 0.932,482 0.567,483 0.884,484 0.821,485 1.06,486 0.911,487 1.017,488 0.627,489 0.979,490 0.769,491 0.893,492 0.946,493 0.99,494 0.662,495 0.999,496 0.7,497 0.802,498 0.93,499 0.927,500 0.523,501 0.971,502 0.535,503 0.811,504 0.843,505 0.947,506 0.44,507 0.961,508 0.726,509 0.9,510 0.845,511 0.923,512 0.567,513 0.9,514 1.133,515 1.018,516 1.052,517 1.048,518 0.937,519 1.026,520 7,521 0.309,522 4.222,523 1.84,524 2.214,525 1.292,526 0.974,527 0.671,528 0.53,529 0.407,530 16489,531 43281,532 2.127,533 46,535 20,538 1,540 4,541 4,542 1.766,543 2,544 3.503,545 -0.334,550 103.981,551 1.65,552 3.513,553 4.499,554 5.001,555 5.064,556 5.096,557 2.946,558 4.433,559 5.054,560 3.697,561 2073.95,562 8.901,563 31270,568 376.569,569 1.379,570 5.023,571 0.184,572 0.009,573 0.078,574 0.032,575 0.042,576 0.025,577 0.019,578 0.013,579 0.01,580 0.009,581 0.422,582 0.17,583 0.75,584 0.753,585 180.456,586 -0.033,587 -0.218,588 0.068,589 -0.123,591 -0.025,592 -0.054,593 -0.002,594 0.061,595 0.067,596 0.05,597 0.083,598 0.06,599 -0.064,600 0.032,601 -0.036,602 0.19,603 -0.009,604 0.008,605 0.012,606 -0.007,607 -0.032,608 0.008,609 -0.025,610 0.023,611 0.015,612 0.007,613 0.031,614 0.013,615 0.017,616 0.107,617 0.02,618 0.082,619 0.014,620 0.068,621 0.034,622 0.011,623 -0.024,624 0.094,625 0.031,626 0.043,627 0.079,628 -0.076,629 -0.018,630 -0.082,631 -0.08,632 -0.025,633 -0.079,634 2.591,635 5.852,636 0.794,637 38.841,638 1.011,639 1.143,640 3.83,641 14.667,642 0.646,643 3.664,644 4.007,645 4.317,646 4.585,647 4.852,648 5.017,649 5.209,650 5.403,651 5.598,652 5.714,653 7.143,654 0.621,655 469.59,656 3.664,657 5.22,658 6.089,659 6.976,660 7.861,661 8.753,662 9.644,663 10.54,664 11.435,665 12.334,666 7.9,669 1,672 1,674 1,676 2,680 2,681 5,682 2,686 7,688 17,697 1,699 1,701 2,702 2,703 63,705 17,706 2,707 38,709 67,710 25,711 14,712 7,713 5,717 5,718 6,724 5,727 5,729 14,730 11,745 2,747 29,748 9,749 1,750 9,755 5,760 0.8,761 2,771 1,773 1,775 1,776 4,780 1,792 1,796 4,801 2,803 2,805 34,810 8,811 1,812 2,814 1,815 2,824 2,825 3.2,830 2,832 17,833 11.919,834 7.5,835 3.941,836 3.222,837 1.387,838 0.994,839 6.821,840 11.541,841 3.861,842 4.466,843 5.061,844 5.648,845 6.267,846 6.654,847 7.089,848 7.558,849 8.003,850 8.249,851 0.875,852 57,853 12.679,854 5.518,855 7.789,856 24.297,857 20.399,859 2.289,860 77.833,864 329.591,865 128.138,866 57.83,868 22,869 29.92,871 128.138,872 351.591,873 87.751,874 21.766,875 18.561,876 47.381,877 33.571,878 82.462,879 34.147,880 329.591,882 329.591,883 185.968,884 51.92,887 265.342,888 116.169,891 43.739,892 108.658,893 33.571,895 359.511,896 79.83,897 128.138,900 329.591,901 58.991,902 75.396,903 18.011,904 85.491,905 329.591,906 109.75,907 128.138,909 0.583,910 0.355,911 0.189,912 0.101,913 27,914 12,915 0.09,916 6,917 1,918 1.074,919 4.417,920 333.321,921 0.074,922 27,923 164.974,928 23.221,929 9.988,930 4.84,931 1.368,932 109.75,933 7.292,934 9.634,938 0.765,940 18.011,941 567.479,942 46.5,952 63.676,953 71.987,954 0.276,955 0.588,956 0.753,957 0.837,958 0.847,959 0.853,960 5.125,961 1.882,962 6.08,963 5.793,964 4.691,965 5.153,966 1.824,967 6.907,968 4.567,969 6.321,970 1.556,971 7.65,972 4.973,973 4.29,974 5.037,975 0.57,976 7.811,977 4.081,978 7.635,979 1.414,980 9.316,981 4.345,982 6.308,983 7.364,984 1.426,985 10.902,986 6.07,987 8.983,988 1.381,989 11.036,990 3.765,991 6.723,992 8.071,993 0.479,994 12.594,995 6.397,996 10.363,997 1,998 12.791,999 3.522,1000 8.191,1001 9.902,1002 1.153,1003 15.191,1004 7.842,1005 11.764,1006 0.863,1007 14.567,1008 2.275,1009 8.972,1010 10.998,1011 0.346,1012 17.219,1013 8.547,1014 13.181,1015 0.702,1016 16.359,1017 2.047,1018 10.224,1019 12.633,1020 0.931,1021 19.641,1022 9.771,1023 3.185,1024 0.618,1025 18.163,1026 1.601,1027 11.18,1028 13.928,1029 0.237,1030 21.826,1031 10.661,1032 2.904,1033 10.707,1034 19.976,1035 1.372,1036 12.344,1037 15.48,1038 0.742,1039 24.185,1040 11.793,1041 2.835,1042 9.207,1043 21.795,1044 4.549,1045 13.384,1046 16.878,1047 0.158,1048 26.448,1049 12.778,1050 2.741,1051 8.914,1052 23.62,1053 3.872,1054 14.516,1055 18.397,1056 0.583,1057 28.789,1058 13.874,1059 2.536,1060 8.519,1061 25.451,1062 3.575,1063 15.596,1064 19.848,1065 0.104,1066 31.093,1067 14.907,1068 2.216,1069 8.247,1070 27.285,1071 3.126,1072 16.719,1073 21.356,1074 0.452,1075 33.433,1076 15.993,1077 1.915,1078 6.792,1079 29.124,1080 2.908,1081 17.822,1082 22.834,1083 0.068,1084 35.76,1085 17.053,1086 15460,1087 25382,1088 25.66,1089 40.711,1090 56.525,1091 58.296,1092 58.687,1093 56.852,1094 56.8,1095 70.04,1096 7.44,1097 166.432,1098 53.137,1099 5.611,1100 5.336,1101 6.225,1102 5.217,1103 5.185,1104 7.549,1105 1.72,1106 17.743,1107 5.049,1108 15.937,1109 1.488,1110 1.534,1111 1.544,1112 1.496,1113 1.495,1114 1.843,1115 0.196,1116 4.38,1117 1.398,1118 4.097,1119 4.132,1120 4.071,1121 3.984,1122 8.24,1123 4.001,1124 3.913,1125 3.974,1126 3.863,1127 3.802,1128 8.161,1129 3.81,1130 3.894,1131 3.92,1132 3.802,1133 3.762,1134 5.088,1135 3.762,1136 3.7,1137 3.767,1138 3.582,1139 3.54,1140 4.769,1141 3.535,1142 3.483,1143 3.522,1144 3.407,1145 3.264,1146 4.571,1147 3.299,1148 3.254,1149 3.319,1150 3.11,1151 2.981,1152 4.496,1153 2.999,1154 3.126,1155 3.21,1156 3.019,1157 2.941,1158 4.39,1159 2.91,1160 3.124,1161 3.206,1162 2.962,1163 2.89,1164 4.163,1165 2.903,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.611,1172 0.12,1173 3.336,1174 0.023,1175 6.628,1176 0.282,1177 4.141,1178 0.08,1179 3.185,1180 4.549,1181 0.86,1182 10.707,1183 3.049,1184 2.011,1185 1.988,1186 2.073,1187 2.143,1188 1.419,1189 2.122,1190 1.854,1191 1.829,1192 2.01,1193 2.004,1194 1.211,1195 2.011,1196 1.822,1197 1.764,1198 1.932,1199 1.961,1200 1.182,1201 1.951,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.022,1207 1.793,1208 1.428,1209 1.372,1210 1.65,1211 1.691,1212 0.95,1213 1.675,1214 1.326,1215 1.258,1216 1.592,1217 1.591,1218 0.825,1219 1.592,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.605,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.344,1233 5.68,1234 2.398,1235 7.216,1236 4.443,1237 8.843,1238 6.293,1239 10.518,1241 3.14,1243 27.306,1247 8.84,1248 3.148,1249 10.93,1251 0.614,1252 4.797,1257 39.152,1258 103.981,1259 221.307,1260 283.449,1261 315.059,1262 319.059,1263 321.059,1264 64.229,1265 8.318,1266 62.75,1267 62.75,1268 29,1269 12.857,1270 4.17,1271 3.248,1272 49.685,1273 142,1274 152,1275 0.167,1276 234.553,1277 410.16,1278 564.07,1279 48119,1280 3.2,1281 23.656,1282 0.696,1283 0.573,1284 21.916,1285 19.482,1286 16.55,1287 0.436,1288 0.308,1289 11.464,1290 15.643,1291 11.237,1292 9.248,1293 15.746,1294 11.703,1295 14.812,1296 0.274,1297 0.163,1298 13.683,1299 8.812,1300 13.21,1301 0.179,1302 0.092,1303 12.228,1304 6.776,1305 10.862,1306 0.112,1307 0.051,1308 10.411,1309 4.928,1310 8.835,1311 0.07,1312 0.026,1313 8.44,1314 3.318,1315 0.259,1316 105.64,1317 0.197,1318 31.175,1319 0.468,1320 184,1321 634.607,1322 208.631,1323 550.779,1324 745.57,1325 518,1326 220,1327 544.927,1328 245.903,1329 537.36,1330 793.62,1331 504,1332 7.382}
{0 CHEMBL488640,1 1.435,2 10.355,3 4.812,4 23.152,5 127.674,6 6.289,7 0.324,8 4.294,9 4.435,10 3.725,11 3.744,12 5.208,13 3.705,14 4.911,15 5.133,16 4.066,17 4.162,18 5.731,19 4.093,20 5.191,21 5.434,22 4.226,23 4.399,24 5.978,25 4.297,26 5.342,27 5.619,28 4.154,29 4.421,30 6.109,31 4.28,32 5.294,33 5.587,34 4.098,35 4.337,36 6.057,37 4.205,38 5.127,39 5.384,40 4.122,41 4.303,42 5.941,43 4.196,44 5.139,45 5.373,46 4.134,47 4.346,48 5.962,49 4.243,50 5.24,51 5.482,52 4.09,53 4.369,54 6.021,55 4.251,56 0.063,57 0.997,58 17.12,59 6.156,60 11.929,61 9.288,62 0.419,63 1.594,64 32.241,65 10.158,66 27.956,67 15.597,68 0.433,69 2.043,70 41.999,71 13.359,72 34.169,73 21.216,74 0.563,75 2.176,76 48.775,77 14.732,78 46.053,79 23.742,80 0.664,81 1.993,82 46.669,83 13.374,84 51.678,85 21.938,86 0.57,87 1.885,88 39.71,89 12.016,90 39.463,91 19.322,92 0.425,93 1.946,94 40.187,95 12.307,96 36.936,97 19.687,98 0.562,99 1.983,100 44.796,101 13.41,102 40.586,103 20.925,104 26,105 47,106 0.229,107 0.468,108 0.67,109 0.75,110 0.773,111 0.778,112 3.472,113 1.033,114 -4.89,115 -4.79,116 -4.5,119 35.3,121 8,124 4,125 2,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 6,165 3,166 9,169 1,171 3,172 7,175 1,176 5,181 3,183 6,186 2,187 10,190 2,192 3,194 2,197 2,198 3,201 1,205 4,208 4,209 6,212 1,214 2,217 10,220 1,221 6,227 6,231 12,234 1,238 6,242 7,249 4,252 1690,253 21.256,254 21.256,255 21.256,256 21.256,257 21.256,258 20.049,259 32.914,260 12.543,261 21.986,262 16.68,263 16.68,264 16.68,265 16.68,266 16.68,267 14.605,268 56.047,269 5.816,270 17.687,271 4.653,272 3.161,273 1.897,274 1.397,275 1.25,276 1.221,277 4.171,282 1,283 1,284 685,285 3.24,288 251.482,289 101.283,292 135.842,295 1.592,296 20.781,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 66.5,308 321,309 4.609,310 3.325,311 6.628,312 4.139,313 3.183,314 4.548,315 0.86,316 10.706,317 3.048,318 4.086,319 3.137,320 6.153,321 3.792,322 2.857,323 3.578,324 0.86,325 9.095,326 2.672,327 3.856,328 2.962,329 6.01,330 3.64,331 2.703,332 3.119,333 0.8,334 8.538,335 2.529,336 3.66,337 2.816,338 5.876,339 3.504,340 2.565,341 2.842,342 0.8,343 8.033,344 2.413,345 3.547,346 2.538,347 5.445,348 3.348,349 2.393,350 2.705,351 0.4,352 7.164,353 2.267,354 3.316,355 2.23,356 5.074,357 2.928,358 1.979,359 2.429,361 5.958,362 1.873,363 2.903,364 1.965,365 4.574,366 2.626,367 1.67,368 1.988,370 4.635,371 1.603,372 2.722,373 1.762,374 4.354,375 2.544,376 1.595,377 1.752,379 4.028,380 1.502,381 2.581,382 1.607,383 3.764,384 2.384,385 1.47,386 1.584,388 3.316,389 1.334,390 2.247,391 1.321,392 3.715,393 2.247,394 1.247,395 1.247,397 2.755,398 1.247,399 2.173,400 1.247,401 3.444,402 2.032,403 1.105,404 1.16,406 2.606,407 1.02,408 2,409 1.077,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.899,418 1.025,419 3.414,420 1.61,421 0.709,422 0.817,424 1.591,425 0.634,426 1.52,427 0.976,428 2.931,429 1.225,430 0.377,431 0.413,433 0.531,434 0.317,435 1.33,436 0.37,437 2.789,438 1.121,439 0.179,440 0.197,442 0.397,443 0.167,444 14.667,445 0.473,446 0.674,447 0.022,448 33,449 1.065,450 12,451 0.387,452 21,453 0.677,454 35.084,455 1.132,456 36.333,457 0.534,458 24.304,459 0.784,460 5.807,461 0.187,462 9.277,463 0.299,464 0.136,466 0.327,472 0.928,473 1.7,474 0.95,475 1.401,476 0.838,477 1.207,478 1.26,479 1.019,480 0.989,481 0.937,482 0.881,483 0.93,484 0.87,485 1.247,486 0.953,487 1.084,488 0.76,489 1.028,490 0.875,491 1.113,492 1.003,493 1.066,494 0.976,495 1.044,496 1.015,497 0.916,498 0.887,499 0.805,500 1.157,501 0.82,502 0.87,503 1.02,504 0.988,505 0.958,506 1.041,507 0.97,508 1.142,509 1.218,510 1.164,511 1.146,512 1.327,513 1.141,514 1.588,515 1.045,516 1.286,517 1.097,518 1.642,519 1.14,520 6,521 0.233,522 3.333,523 1.75,524 1.956,525 1.212,526 0.849,527 0.612,528 0.401,529 0.269,530 11861,531 22474,532 2.084,533 54.4,534 8,535 20,538 1,540 4,541 4,542 1.744,543 1.958,544 3.349,545 -0.361,550 97.549,551 1.435,552 2.926,553 4.19,554 4.69,555 4.837,556 4.867,557 2.759,558 4.503,559 4.92,560 3.54,561 1646.07,562 8.643,563 23110.3,568 413.947,569 1.383,570 4.888,571 0.176,572 0.009,573 0.071,574 0.032,575 0.042,576 0.026,577 0.018,578 0.013,579 0.009,580 0.007,581 0.404,582 0.17,583 1,584 0.867,585 158.936,586 0.023,587 -0.334,588 0.089,589 -0.151,590 0.097,591 -0.041,592 -0.019,593 0.152,594 0.062,595 0.115,596 0.162,597 0.096,598 0.056,599 -0.126,600 0.05,601 -0.03,602 0.159,603 0.006,604 0.05,605 -0.074,606 -0.011,607 -0.09,608 0.062,609 -0.063,610 0.05,611 0.065,612 0.115,613 0.13,614 0.015,615 0.131,616 0.104,617 0.101,618 0.026,619 0.044,620 0.013,621 0.029,622 -0.104,623 -0.052,624 -0.139,625 -0.105,626 -0.184,627 -0.118,628 -0.233,629 0.048,630 -0.238,631 -0.096,632 -0.329,633 -0.153,634 0.966,635 2.067,636 0.742,637 31.919,638 0.99,639 1.14,640 3.658,641 13.378,642 0.619,643 3.555,644 3.871,645 4.159,646 4.419,647 4.718,648 4.92,649 5.075,650 5.231,651 5.421,652 5.493,653 6.518,654 0.573,655 427.66,656 3.555,657 5.094,658 5.948,659 6.825,660 7.701,661 8.589,662 9.475,663 10.369,664 11.261,665 12.16,666 7.4,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 68,705 11,706 1,707 34,709 71,710 24,711 8,712 4,713 2,717 4,718 5,724 10,727 10,729 8,730 16,747 37,748 7,749 1,750 7,755 5,760 0.75,761 2,771 1,776 3,777 1,780 1,792 1,796 3,801 4,805 31,810 10,811 1,812 2,814 2,815 2,825 2.9,830 2,832 15.833,833 13.217,834 6.972,835 4.417,836 2.354,837 1.299,838 0.949,839 7.519,840 10.236,841 3.701,842 4.241,843 4.816,844 5.408,845 6.044,846 6.482,847 6.908,848 7.308,849 7.682,850 7.756,851 0.857,852 54,853 11.527,854 4.77,855 7.409,856 23.058,857 19.211,859 1.909,860 59.167,864 423.76,865 101.43,866 57.83,868 22,871 101.43,872 445.759,873 57.83,874 38.559,875 24.488,876 18.952,877 51.582,878 43.452,879 4.227,880 423.76,882 423.76,883 159.26,884 22,887 329.591,888 116.169,891 31.655,892 76.023,893 51.582,895 423.76,896 79.83,897 101.43,900 423.76,901 43.919,902 63.76,903 18.011,904 55.571,905 423.76,906 79.83,907 101.43,909 0.574,910 0.342,911 0.182,912 0.104,913 22,914 10,915 0.085,916 6,917 1,918 1.087,919 4.104,920 287.635,921 0.087,922 23,923 139.58,928 22.566,929 10.329,930 5.241,931 1.891,932 79.83,933 3.986,934 9.995,938 3.143,940 18.011,941 605.02,942 39.5,952 67.301,953 77.554,954 0.236,955 0.481,956 0.688,957 0.77,958 0.795,959 0.799,960 4.961,961 1.595,962 5.927,963 4.635,964 4.554,965 4.927,966 1.824,967 6.737,968 4.443,969 6.125,970 1.47,971 7.485,972 4.028,973 4.111,974 4.783,975 0.57,976 7.63,977 3.928,978 7.422,979 1.247,980 9.142,981 3.316,982 6.146,983 7.088,984 1.426,985 10.72,986 5.931,987 8.754,988 1.105,989 10.857,990 2.755,991 6.524,992 7.817,993 0.479,994 12.417,995 6.23,996 10.123,997 1,998 12.608,999 2.606,1000 8.01,1001 9.636,1002 1.153,1003 15.016,1004 7.691,1005 11.518,1006 0.709,1007 14.383,1008 2.275,1009 8.773,1010 10.774,1011 0.346,1012 17.056,1013 8.383,1014 12.933,1015 0.377,1016 16.175,1017 1.591,1018 10.034,1019 12.407,1020 0.931,1021 19.484,1022 9.614,1023 3.183,1024 0.179,1025 17.979,1026 0.531,1027 10.983,1028 13.743,1029 0.237,1030 21.684,1031 10.504,1032 2.857,1033 10.706,1034 19.793,1035 0.397,1036 12.154,1037 15.301,1038 0.742,1039 24.052,1040 11.64,1041 2.703,1042 9.095,1043 21.615,1044 4.548,1045 13.194,1046 16.731,1047 0.158,1048 26.329,1049 12.63,1050 2.565,1051 8.538,1052 23.443,1053 3.578,1054 14.331,1055 18.26,1056 0.583,1057 28.681,1058 13.73,1059 2.393,1060 8.033,1061 25.276,1062 3.119,1063 15.417,1064 19.734,1065 0.104,1066 30.998,1067 14.771,1068 1.979,1069 7.164,1070 27.114,1071 2.842,1072 16.546,1073 21.252,1074 0.452,1075 33.349,1076 15.862,1077 1.67,1078 5.958,1079 28.957,1080 2.705,1081 17.656,1082 22.746,1083 0.068,1084 35.687,1085 16.93,1086 11474,1087 16019,1088 22.77,1089 42.12,1090 50.043,1091 50.856,1092 52.233,1093 50.012,1094 50.066,1095 58.755,1096 7.44,1097 143.254,1098 47.216,1099 5.609,1100 5.325,1101 6.426,1102 5.217,1103 5.183,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 15.095,1109 1.472,1110 1.496,1111 1.536,1112 1.471,1113 1.473,1114 1.728,1115 0.219,1116 4.213,1117 1.389,1118 4.093,1119 4.128,1120 4.064,1121 3.979,1122 5.085,1123 3.996,1124 3.856,1125 3.918,1126 3.746,1127 3.736,1128 4.763,1129 3.723,1130 3.848,1131 3.906,1132 3.708,1133 3.7,1134 4.499,1135 3.7,1136 3.546,1137 3.607,1138 3.476,1139 3.314,1140 4.388,1141 3.347,1142 3.419,1143 3.501,1144 3.264,1145 3.191,1146 4.329,1147 3.193,1148 3.303,1149 3.378,1150 3.14,1151 3.125,1152 4.131,1153 3.1,1154 3.278,1155 3.364,1156 3.057,1157 3.102,1158 4.072,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.963,1164 3.903,1165 2.973,1166 0.136,1167 0.098,1168 0.195,1169 0.122,1170 0.094,1171 4.609,1172 0.134,1173 3.325,1174 0.025,1175 6.628,1176 0.315,1177 4.139,1178 0.09,1179 3.183,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.008,1185 1.984,1186 2.077,1187 2.142,1188 1.411,1189 2.122,1190 1.828,1191 1.767,1192 2.018,1193 2.01,1194 1.341,1195 2.018,1196 1.717,1197 1.658,1198 1.975,1199 1.884,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.937,1205 1.873,1206 1.165,1207 1.905,1208 1.445,1209 1.373,1210 1.729,1211 1.723,1212 0.839,1213 1.725,1214 1.332,1215 1.265,1216 1.596,1217 1.606,1218 0.825,1219 1.603,1220 1.194,1221 1.12,1222 1.576,1223 1.525,1224 0.609,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.234,1233 5.549,1235 7.062,1236 2.708,1237 8.671,1238 4.977,1239 10.336,1241 7.678,1247 11.836,1248 3.777,1249 11.118,1251 1.089,1252 4.656,1257 38.965,1258 97.549,1259 198.974,1260 284.928,1261 318.928,1262 328.928,1263 330.928,1264 49.341,1265 7.882,1266 62.75,1267 62.75,1268 25,1269 12.684,1270 3.585,1271 2.7,1272 48.999,1273 118,1274 130,1275 0.2,1276 238.74,1277 411.9,1278 574.286,1279 27404,1281 21.794,1282 0.703,1283 0.629,1284 21.794,1285 19.486,1286 15.084,1287 0.444,1288 0.344,1289 11.506,1290 14.383,1291 11.134,1292 9.308,1293 15.084,1294 11.704,1295 13.236,1296 0.282,1297 0.194,1298 13.236,1299 9.111,1300 11.355,1301 0.18,1302 0.109,1303 11.355,1304 6.863,1305 9.354,1306 0.114,1307 0.06,1308 9.354,1309 4.894,1310 7.844,1311 0.071,1312 0.032,1313 7.844,1314 3.509,1315 0.308,1316 95.279,1317 0.21,1318 28.703,1319 0.573,1320 162,1321 404.384,1322 178.303,1323 383.322,1324 536.1,1325 364,1326 191,1327 402.274,1328 208.914,1329 409.5,1330 600.68,1331 381,1332 6.361}
{0 CHEMBL488690,1 1.551,2 13.167,3 5.648,4 31.902,5 148.137,6 7.029,7 0.436,8 4.369,9 4.504,10 3.89,11 3.837,12 5.36,13 3.807,14 4.947,15 5.162,16 4.231,17 4.215,18 5.863,19 4.163,20 5.185,21 5.413,22 4.38,23 4.432,24 6.066,25 4.354,26 5.32,27 5.564,28 4.3,29 4.489,30 6.161,31 4.368,32 5.407,33 5.698,34 4.308,35 4.463,36 6.202,37 4.346,38 5.277,39 5.528,40 4.321,41 4.481,42 6.112,43 4.375,44 5.34,45 5.587,46 4.352,47 4.538,48 6.171,49 4.418,50 5.415,51 5.685,52 4.309,53 4.525,54 6.201,55 4.386,56 0.032,57 1.073,58 16.877,59 6.372,60 10.802,61 9.263,62 0.444,63 1.673,64 33.41,65 10.047,66 33.139,67 15.044,68 0.545,69 2.078,70 43.81,71 13.076,72 38.506,73 19.902,74 0.47,75 2.277,76 49.206,77 15.559,78 45.184,79 23.669,80 0.843,81 2.317,82 54.769,83 15.476,84 62.51,85 24.599,86 0.6,87 2.228,88 46.64,89 14.473,90 43.98,91 22.385,92 0.499,93 2.334,94 49.337,95 16.052,96 46.261,97 24.436,98 0.596,99 2.295,100 55.235,101 17.416,102 51.952,103 25.932,104 45,105 53,106 0.242,107 0.509,108 0.682,109 0.795,110 0.815,111 0.828,112 3.616,113 1.006,114 -4.71,115 -4.63,116 -4.35,119 37,120 2,121 1,124 2,125 8,138 6,139 1,140 4,142 1,143 1,146 1,163 3,165 3,166 9,169 1,171 3,172 5,175 3,176 5,181 3,183 5,186 1,187 8,190 2,192 1,194 3,197 4,198 6,201 1,203 1,205 4,208 3,209 4,212 1,214 1,217 6,220 1,221 9,224 1,227 6,230 2,231 8,238 3,241 1,242 7,249 3,252 2646,253 24.806,254 24.806,255 24.806,256 24.806,257 24.806,258 22.823,259 40.106,260 14.549,261 25.869,262 19,263 19,264 19,265 19,266 19,267 15.836,268 60.438,269 6.608,270 20.521,271 4.639,272 2.935,273 1.826,274 1.103,275 0.973,276 0.891,277 4.313,279 1,283 1,284 1001,285 3.873,288 305.47,289 128.426,292 168.144,295 2.009,296 25.561,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 77.333,308 474,309 4.61,310 3.324,311 6.628,312 4.139,313 3.183,314 4.549,315 0.86,316 10.705,317 3.048,318 4.094,319 3.122,320 6.141,321 3.735,322 2.814,323 3.642,324 0.86,325 9.066,326 2.586,327 4.005,328 2.973,329 5.994,330 3.616,331 2.676,332 3.551,333 0.8,334 8.494,335 2.51,336 3.798,337 2.892,338 5.483,339 3.484,340 2.555,341 3.108,342 0.8,343 7.288,344 2.37,345 3.547,346 2.807,347 5.391,348 3.399,349 2.472,350 2.851,351 0.8,352 7.068,353 2.281,354 3.493,355 2.649,356 5.196,357 3.214,358 2.301,359 2.612,360 0.4,361 6.462,362 2.1,363 3.33,364 2.454,365 5.148,366 3.04,367 2.136,368 2.558,370 6.199,371 1.905,372 3.3,373 2.224,374 4.855,375 2.822,376 1.892,377 2.343,379 5.526,380 1.697,381 2.878,382 1.903,383 4.553,384 2.523,385 1.599,386 1.971,388 4.585,389 1.472,390 2.671,391 1.672,392 4.333,393 2.374,394 1.464,395 1.699,397 3.957,398 1.327,399 2.5,400 1.363,401 3.559,402 2.222,403 1.259,404 1.5,406 2.772,407 1.205,408 2.278,409 1.072,410 3.501,411 2,412 1,413 1.276,415 2.275,416 1,417 1.953,418 1,419 3.414,420 1.795,421 0.839,422 0.886,424 1.827,425 0.799,426 1.82,427 0.994,428 3.232,429 1.617,430 0.716,431 0.798,433 1.588,434 0.638,435 1.618,436 0.964,437 2.945,438 1.591,439 0.618,440 0.618,442 0.791,443 0.6,444 17.281,445 0.48,446 0.721,447 0.02,448 42.5,449 1.181,450 18,451 0.5,452 24.5,453 0.681,454 38.336,455 1.065,456 40.919,457 0.561,458 34.314,459 0.953,460 8.311,461 0.231,462 9.226,463 0.256,464 0.157,466 0.301,472 0.886,473 1.698,474 0.753,475 1.272,476 0.773,477 1.113,478 1.278,479 1.016,480 0.818,481 0.809,482 0.82,483 0.83,484 1.026,485 1.094,486 0.93,487 0.931,488 0.797,489 0.923,490 0.871,491 1.27,492 0.953,493 1.171,494 0.904,495 1.146,496 0.874,497 0.848,498 0.665,499 0.714,500 0.794,501 0.752,502 0.821,503 1.015,504 0.836,505 0.914,506 0.783,507 0.947,508 0.788,509 1.129,510 0.844,511 1.063,512 0.832,513 1.071,514 1.038,515 0.939,516 0.854,517 0.933,518 0.932,519 0.965,520 7.5,521 0.315,522 3.778,523 1.75,524 2.236,525 1.289,526 0.91,527 0.765,528 0.516,529 0.329,530 18460,531 43742,532 2.056,533 50.7,535 28,538 1,540 6,541 2,542 1.779,543 1.929,544 3.644,545 -0.355,550 113.216,551 1.551,552 3.255,553 4.364,554 5.087,555 5.217,556 5.299,557 3.126,558 4.948,559 5.133,560 3.852,561 2427.01,562 9.057,563 38718.3,568 451.857,569 1.389,570 5.102,571 0.192,572 0.008,573 0.071,574 0.029,575 0.041,576 0.023,577 0.016,578 0.013,579 0.01,580 0.007,581 0.411,582 0.17,583 0.88,584 1.322,585 196.014,586 -0.001,587 -0.386,588 0.056,589 -0.167,590 0.023,591 -0.058,592 -0.07,593 0.141,594 0.07,595 0.153,596 0.121,597 0.127,598 -0.002,599 0.033,600 0.012,601 0.051,602 0.113,603 0.053,604 -0.001,605 -0.199,606 -0.088,607 -0.192,608 0.008,609 -0.16,610 0.09,611 0.131,612 0.149,613 0.179,614 0.119,615 0.184,616 0.029,617 0.078,618 -0.005,619 0.044,620 0.036,621 0.026,622 0.01,623 -0.051,624 -0.028,625 -0.083,626 -0.003,627 -0.08,628 -0.058,629 0.046,630 0.018,631 0.024,632 -0.023,633 0.007,634 1.029,635 2.055,636 0.639,637 45.75,638 0.996,639 1.137,640 3.481,641 12.117,642 0.644,643 3.689,644 3.989,645 4.263,646 4.5,647 4.796,648 4.977,649 5.136,650 5.328,651 5.505,652 5.595,653 7.801,654 0.6,655 513.15,656 3.689,657 5.22,658 6.066,659 6.934,660 7.801,661 8.679,662 9.557,663 10.442,664 11.327,665 12.218,666 8.2,669 2,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 73,705 17,706 2,707 39,709 76,710 27,711 14,712 6,713 6,717 4,718 5,719 1,721 2,724 1,727 1,729 14,730 13,747 37,748 8,749 1,750 9,751 1,755 6,760 0.75,761 2,771 1,776 3,777 1,780 1,792 2,796 3,801 4,802 1,805 36,810 9,811 1,812 2,815 3,824 1,825 2.7,830 2,832 18.667,833 14.226,834 8.278,835 4.704,836 3.179,837 1.388,838 0.96,839 9.625,840 11.379,841 3.882,842 4.443,843 5.016,844 5.597,845 6.235,846 6.615,847 7.055,848 7.519,849 7.951,850 8.158,851 0.889,852 61,853 13.305,854 5.416,855 7.512,856 26.087,857 20.904,859 2.012,860 72.444,864 423.76,865 141.342,866 60.955,867 39.149,868 22,871 141.342,872 484.908,873 60.955,874 39.417,875 19.38,876 56.857,877 33.571,878 70.845,879 4.227,880 423.76,881 39.149,882 423.76,883 202.297,884 22,885 39.149,887 329.591,888 116.169,891 65.333,892 103.393,893 72.72,895 423.76,896 82.955,897 180.491,900 423.76,901 45.068,902 105.647,903 18.011,904 94.719,905 423.76,906 82.955,907 180.491,909 0.568,910 0.342,911 0.177,912 0.099,913 23,914 11,915 0.132,916 10,917 1,918 1.087,919 4.524,920 344.145,921 0.087,922 23,923 178.117,928 26.894,929 12.884,930 6.795,931 1.666,932 82.955,933 11.444,934 9.946,938 4.316,940 18.011,941 687.205,942 47.5,952 72.727,953 82.996,954 0.251,955 0.526,956 0.705,957 0.822,958 0.843,959 0.856,960 5.119,961 1.892,962 6.038,963 6.199,964 4.673,965 5.13,966 1.968,967 6.828,968 4.529,969 6.296,970 1.599,971 7.584,972 5.526,973 4.205,974 4.945,975 0.766,976 7.687,977 3.954,978 7.592,979 1.464,980 9.225,981 4.585,982 6.252,983 7.31,984 1.531,985 10.752,986 5.983,987 8.924,988 1.259,989 10.922,990 3.957,991 6.594,992 7.967,993 0.653,994 12.415,995 6.233,996 10.288,997 1,998 12.654,999 2.772,1000 8.081,1001 9.827,1002 1.235,1003 15.005,1004 7.702,1005 11.674,1006 0.839,1007 14.41,1008 2.275,1009 8.809,1010 10.895,1011 0.482,1012 17.029,1013 8.356,1014 13.08,1015 0.716,1016 16.184,1017 1.827,1018 10.068,1019 12.55,1020 0.995,1021 19.455,1022 9.592,1023 3.183,1024 0.618,1025 17.973,1026 1.588,1027 10.991,1028 13.835,1029 0.337,1030 21.652,1031 10.458,1032 2.814,1033 10.705,1034 19.774,1035 0.791,1036 12.158,1037 15.401,1038 0.792,1039 24.023,1040 11.597,1041 2.676,1042 9.066,1043 21.585,1044 4.549,1045 13.182,1046 16.798,1047 0.229,1048 26.302,1049 12.574,1050 2.555,1051 8.494,1052 23.404,1053 3.642,1054 14.316,1055 18.327,1056 0.621,1057 28.657,1058 13.678,1059 2.472,1060 7.288,1061 25.231,1062 3.551,1063 15.393,1064 19.782,1065 0.153,1066 30.977,1067 14.714,1068 2.301,1069 7.068,1070 27.064,1071 3.108,1072 16.52,1073 21.297,1074 0.48,1075 33.331,1076 15.808,1077 2.136,1078 6.462,1079 28.904,1080 2.851,1081 17.626,1082 22.781,1083 0.1,1084 35.671,1085 16.876,1086 18017,1087 28118,1088 25.948,1089 46.983,1090 56.316,1091 57.41,1092 59.391,1093 56.505,1094 56.357,1095 69.395,1096 9.04,1097 159.458,1098 52.19,1099 5.579,1100 5.324,1101 6.246,1102 5.216,1103 5.183,1104 7.549,1105 1.72,1106 17.739,1107 5.048,1108 19,1109 1.444,1110 1.472,1111 1.523,1112 1.449,1113 1.445,1114 1.779,1115 0.232,1116 4.089,1117 1.338,1118 4.093,1119 4.127,1120 4.078,1121 3.984,1122 5.094,1123 4,1124 3.878,1125 3.921,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.85,1131 3.902,1132 3.734,1133 3.664,1134 4.761,1135 3.671,1136 3.704,1137 3.783,1138 3.576,1139 3.504,1140 4.5,1141 3.508,1142 3.508,1143 3.555,1144 3.467,1145 3.283,1146 4.396,1147 3.317,1148 3.343,1149 3.426,1150 3.335,1151 3.158,1152 4.37,1153 3.143,1154 3.306,1155 3.407,1156 3.158,1157 3.123,1158 4.243,1159 3.089,1160 3.267,1161 3.348,1162 3.073,1163 3.084,1164 4.063,1165 3.073,1166 0.118,1167 0.085,1168 0.17,1169 0.106,1170 0.082,1171 4.61,1172 0.117,1173 3.324,1174 0.022,1175 6.628,1176 0.274,1177 4.139,1178 0.078,1179 3.183,1180 4.549,1181 0.86,1182 10.705,1183 3.048,1184 2.009,1185 1.987,1186 2.058,1187 2.135,1188 1.286,1189 2.112,1190 1.863,1191 1.841,1192 1.98,1193 1.975,1194 1.22,1195 1.983,1196 1.746,1197 1.669,1198 1.952,1199 1.947,1200 1.167,1201 1.957,1202 1.637,1203 1.568,1204 1.885,1205 1.845,1206 1.114,1207 1.859,1208 1.594,1209 1.515,1210 1.834,1211 1.828,1212 1.047,1213 1.836,1214 1.351,1215 1.308,1216 1.725,1217 1.616,1218 0.869,1219 1.638,1220 1.351,1221 1.256,1222 1.601,1223 1.584,1224 0.863,1225 1.606,1226 1.238,1227 1.15,1228 1.583,1229 1.525,1230 0.598,1231 1.54,1232 4.369,1233 5.673,1235 7.172,1236 2.708,1237 8.763,1238 5.094,1239 10.407,1241 7.727,1242 6.096,1247 9.355,1248 3.464,1249 11.106,1252 7.326,1257 43.814,1258 113.216,1259 237.631,1260 318.573,1261 371.328,1262 380.838,1263 386.838,1264 58.979,1265 8.2,1266 65.99,1267 65.99,1268 25,1269 12.748,1270 4.17,1271 3.248,1272 61.865,1273 164,1274 191,1275 0.181,1276 273.862,1277 471.19,1278 659.983,1279 42360,1280 1.4,1281 25.493,1282 0.708,1283 0.625,1284 25.993,1285 22.515,1286 17.537,1287 0.45,1288 0.335,1289 12.51,1290 16.415,1291 12.094,1292 10.064,1293 17.826,1294 13.08,1295 14.979,1296 0.283,1297 0.177,1298 15.388,1299 9.374,1300 13.027,1301 0.186,1302 0.101,1303 13.316,1304 7.046,1305 10.372,1306 0.117,1307 0.053,1308 10.539,1309 4.693,1310 8.685,1311 0.072,1312 0.027,1313 8.921,1314 3.206,1315 0.283,1316 113.653,1317 0.196,1318 32.863,1319 0.498,1320 184,1321 506.233,1322 218.237,1323 512.027,1324 701.26,1325 484,1326 215,1327 498.883,1328 245.226,1329 514.48,1330 754.32,1331 482,1332 7.036}
{0 CHEMBL488691,1 1.566,2 13.167,3 5.412,4 29.285,5 146.181,6 7.199,7 0.425,8 4.358,9 4.488,10 3.907,11 3.842,12 5.335,13 3.817,14 4.949,15 5.154,16 4.261,17 4.247,18 5.862,19 4.197,20 5.203,21 5.433,22 4.361,23 4.439,24 6.067,25 4.35,26 5.294,27 5.549,28 4.273,29 4.438,30 6.119,31 4.321,32 5.305,33 5.581,34 4.297,35 4.4,36 6.129,37 4.303,38 5.204,39 5.436,40 4.318,41 4.453,42 6.067,43 4.359,44 5.321,45 5.569,46 4.347,47 4.522,48 6.144,49 4.405,50 5.366,51 5.627,52 4.303,53 4.495,54 6.156,55 4.366,56 0.022,57 1.067,58 16.044,59 6.266,60 9.304,61 8.914,62 0.429,63 1.716,64 32.625,65 10.225,66 30.644,67 14.916,68 0.523,69 2.108,70 44.144,71 13.655,72 38.008,73 20.369,74 0.487,75 2.202,76 48.415,77 15.059,78 44.925,79 22.77,80 0.797,81 2.182,82 49.159,83 13.865,84 55.522,85 21.717,86 0.539,87 2.152,88 42.365,89 13.629,90 40.239,91 20.596,92 0.493,93 2.312,94 48.186,95 15.807,96 44.261,97 23.781,98 0.571,99 2.24,100 52.306,101 16.669,102 47.458,103 24.458,104 14,105 55,106 0.245,107 0.512,108 0.668,109 0.79,110 0.823,111 0.836,112 3.616,113 0.987,114 -4.71,115 -4.63,116 -4.35,119 38,121 3,124 2,125 8,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 9,169 1,171 3,172 5,175 3,176 5,181 3,183 5,186 1,187 8,190 2,192 1,194 2,197 4,198 6,201 1,203 1,205 4,208 3,209 4,212 1,214 1,217 6,220 1,221 9,224 1,227 6,230 2,231 8,238 3,241 1,242 7,249 3,252 2636,253 24.927,254 24.927,255 24.927,256 24.927,257 24.927,258 22.944,259 40.106,260 14.74,261 25.919,262 19.662,263 19.662,264 19.662,265 19.662,266 19.662,267 16.498,268 60.438,269 6.9,270 21.154,271 4.583,272 2.879,273 1.888,274 1.106,275 0.895,276 0.81,277 4.325,279 1,283 1,284 1035,285 3.24,287 106.71,288 300.701,289 124.36,292 165.074,295 2.009,296 25.023,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 77.333,308 474,309 4.61,310 3.324,311 6.628,312 4.139,313 3.183,314 4.549,315 0.86,316 10.705,317 3.048,318 4.094,319 3.122,320 6.141,321 3.735,322 2.815,323 3.642,324 0.86,325 9.066,326 2.586,327 4.005,328 2.974,329 5.994,330 3.617,331 2.677,332 3.551,333 0.8,334 8.494,335 2.511,336 3.798,337 2.91,338 5.483,339 3.515,340 2.588,341 3.108,342 0.8,343 7.289,344 2.398,345 3.59,346 2.829,347 5.422,348 3.436,349 2.501,350 2.851,351 0.8,352 7.189,353 2.33,354 3.497,355 2.678,356 5.248,357 3.266,358 2.347,359 2.613,360 0.4,361 6.706,362 2.154,363 3.389,364 2.455,365 5.148,366 3.04,367 2.137,368 2.598,370 6.2,371 1.906,372 3.301,373 2.224,374 4.855,375 2.823,376 1.892,377 2.409,379 5.526,380 1.697,381 2.88,382 1.903,383 4.554,384 2.531,385 1.603,386 1.973,388 4.586,389 1.484,390 2.676,391 1.676,392 4.333,393 2.388,394 1.472,395 1.705,397 3.959,398 1.341,399 2.5,400 1.388,401 3.572,402 2.251,403 1.286,404 1.5,406 2.827,407 1.239,408 2.309,409 1.355,410 3.52,411 2.222,412 1.256,413 1.307,415 2.74,416 1.203,417 2.263,418 1.061,419 3.49,420 2,421 1,422 1.263,424 2.275,425 1,426 1.944,427 1,428 3.414,429 1.65,430 0.744,431 0.862,433 1.682,434 0.666,435 1.618,436 0.992,437 3.039,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 17.281,445 0.48,446 0.721,447 0.02,448 43,449 1.194,450 18,451 0.5,452 25,453 0.694,454 37.108,455 1.031,456 40.319,457 0.568,458 33.888,459 0.941,460 8.267,461 0.23,462 9.356,463 0.26,464 0.099,466 0.301,472 0.877,473 1.645,474 0.723,475 1.224,476 0.706,477 1.068,478 1.259,479 1.027,480 0.833,481 0.836,482 0.806,483 0.861,484 0.962,485 1.13,486 0.943,487 0.996,488 0.776,489 0.988,490 0.865,491 1.172,492 0.892,493 1.064,494 0.877,495 1.041,496 0.953,497 0.862,498 0.688,499 0.71,500 0.843,501 0.753,502 0.841,503 1.079,504 0.88,505 0.98,506 0.832,507 1.013,508 0.786,509 1.098,510 0.83,511 1.035,512 0.808,513 1.048,514 1.073,515 0.942,516 0.873,517 0.939,518 0.951,519 0.977,520 7,521 0.289,522 3.556,523 1.597,524 2.201,525 1.209,526 0.858,527 0.721,528 0.454,529 0.304,530 19988,531 46298,532 2.137,533 49.3,535 28,538 1,540 4,541 2,542 1.779,543 2.038,544 3.643,545 -0.355,550 111.215,551 1.566,552 3.271,553 4.262,554 5.044,555 5.255,556 5.34,557 3.126,558 4.948,559 5.134,560 3.854,561 2427.75,562 9.055,563 38664.3,568 436.632,569 1.256,570 5.118,571 0.175,572 0.008,573 0.065,574 0.027,575 0.042,576 0.022,577 0.015,578 0.013,579 0.009,580 0.007,581 0.38,582 0.17,583 0.75,584 0.674,585 195.985,586 -0.007,587 -0.359,588 0.061,589 -0.146,590 0.068,591 -0.041,592 -0.088,593 0.134,594 0.033,595 0.125,596 0.113,597 0.089,598 0.007,599 -0.036,600 -0.021,601 -0.021,602 0.117,603 -0.015,604 0.016,605 -0.142,606 -0.021,607 -0.109,608 0.05,609 -0.069,610 0.069,611 0.148,612 0.13,613 0.183,614 0.111,615 0.179,616 0.014,617 0.039,618 -0.059,619 -0.017,620 0.006,621 -0.042,622 0.011,623 -0.037,624 -0.017,625 -0.067,626 0.019,627 -0.065,628 -0.074,629 0.047,630 0.002,631 0.017,632 -0.03,633 -0.007,634 1.024,635 2.059,636 0.778,637 45.457,638 0.998,639 1.135,640 3.481,641 12.117,642 0.651,643 3.714,644 4.025,645 4.304,646 4.564,647 4.828,648 5.004,649 5.17,650 5.366,651 5.537,652 5.631,653 7.799,654 0.61,655 511.13,656 3.714,657 5.252,658 6.103,659 6.974,660 7.843,661 8.722,662 9.6,663 10.485,664 11.369,665 12.259,666 8.5,669 2,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 71,705 17,706 2,707 40,709 75,710 27,711 14,712 6,713 6,717 5,718 6,719 1,724 3,727 3,729 14,730 13,747 35,748 8,749 1,750 9,751 1,755 6,760 0.8,761 2,771 1,773 1,775 1,776 3,777 1,780 1,792 2,796 4,801 2,802 1,805 36,810 11,811 1,812 2,815 3,824 1,825 2.8,830 2,832 17.667,833 13.226,834 8.028,835 4.454,836 3.16,837 1.376,838 0.986,839 8.445,840 11.556,841 3.902,842 4.466,843 5.035,844 5.619,845 6.243,846 6.621,847 7.06,848 7.523,849 7.954,850 8.16,851 0.889,852 59,853 13.329,854 5.563,855 7.485,856 26.306,857 21.75,859 1.985,860 71.444,864 400.217,865 128.761,866 60.955,867 39.149,868 22,871 128.761,872 461.366,873 60.955,874 21.766,875 24.449,876 56.857,877 33.571,878 70.845,879 4.227,880 400.217,881 39.149,882 400.217,883 189.716,884 22,885 39.149,887 329.591,888 92.626,891 52.752,892 103.393,893 72.72,895 400.217,896 82.955,897 167.91,900 400.217,901 50.138,902 87.997,903 18.011,904 94.719,905 400.217,906 82.955,907 167.91,909 0.574,910 0.339,911 0.182,912 0.1,913 26,914 11,915 0.107,916 8,917 1,918 1.071,919 4.65,920 351.832,921 0.071,922 28,923 178.117,928 25.492,929 11.927,930 6.232,931 1.678,932 82.955,933 11.472,934 9.963,938 4.351,940 18.011,941 651.082,942 48.5,952 70.843,953 80.581,954 0.255,955 0.532,956 0.693,957 0.82,958 0.855,959 0.868,960 5.149,961 1.892,962 6.071,963 6.2,964 4.71,965 5.153,966 1.968,967 6.858,968 4.571,969 6.32,970 1.603,971 7.61,972 5.526,973 4.205,974 4.945,975 0.766,976 7.687,977 3.954,978 7.613,979 1.472,980 9.245,981 4.586,982 6.282,983 7.321,984 1.531,985 10.77,986 6.02,987 8.941,988 1.286,989 10.937,990 3.959,991 6.608,992 7.97,993 0.653,994 12.425,995 6.248,996 10.303,997 1.256,998 12.666,999 2.827,1000 8.108,1001 9.831,1002 1.235,1003 15.017,1004 7.734,1005 11.688,1006 1,1007 14.421,1008 2.74,1009 8.827,1010 10.898,1011 0.482,1012 17.037,1013 8.377,1014 13.092,1015 0.744,1016 16.194,1017 2.275,1018 10.092,1019 12.552,1020 0.995,1021 19.463,1022 9.619,1023 3.183,1024 0.618,1025 17.982,1026 1.682,1027 11.011,1028 13.836,1029 0.337,1030 21.658,1031 10.478,1032 2.815,1033 10.705,1034 19.782,1035 1.372,1036 12.179,1037 15.401,1038 0.792,1039 24.027,1040 11.619,1041 2.677,1042 9.066,1043 21.592,1044 4.549,1045 13.2,1046 16.799,1047 0.229,1048 26.305,1049 12.591,1050 2.588,1051 8.494,1052 23.411,1053 3.642,1054 14.334,1055 18.327,1056 0.621,1057 28.66,1058 13.694,1059 2.501,1060 7.289,1061 25.237,1062 3.551,1063 15.408,1064 19.782,1065 0.153,1066 30.979,1067 14.727,1068 2.347,1069 7.189,1070 27.07,1071 3.108,1072 16.534,1073 21.297,1074 0.48,1075 33.332,1076 15.82,1077 2.137,1078 6.706,1079 28.909,1080 2.851,1081 17.637,1082 22.781,1083 0.1,1084 35.672,1085 16.886,1086 18715,1087 28816,1088 27.334,1089 46.222,1090 58.46,1091 59.539,1092 60.175,1093 58.68,1094 58.537,1095 71.571,1096 9.04,1097 165.833,1098 54.374,1099 5.61,1100 5.324,1101 6.26,1102 5.216,1103 5.183,1104 7.549,1105 1.72,1106 17.739,1107 5.048,1108 14.497,1109 1.461,1110 1.488,1111 1.504,1112 1.467,1113 1.463,1114 1.789,1115 0.226,1116 4.146,1117 1.359,1118 4.094,1119 4.128,1120 4.078,1121 3.984,1122 5.094,1123 4,1124 3.887,1125 3.956,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.877,1131 3.903,1132 3.765,1133 3.711,1134 4.761,1135 3.713,1136 3.781,1137 3.85,1138 3.66,1139 3.606,1140 4.5,1141 3.609,1142 3.521,1143 3.57,1144 3.483,1145 3.298,1146 4.4,1147 3.331,1148 3.376,1149 3.451,1150 3.345,1151 3.194,1152 4.379,1153 3.186,1154 3.268,1155 3.349,1156 3.197,1157 3.091,1158 4.259,1159 3.077,1160 3.249,1161 3.317,1162 3.074,1163 2.976,1164 4.064,1165 2.987,1166 0.115,1167 0.083,1168 0.166,1169 0.103,1170 0.08,1171 4.61,1172 0.114,1173 3.324,1174 0.022,1175 6.628,1176 0.268,1177 4.139,1178 0.076,1179 3.183,1180 4.549,1181 0.86,1182 10.705,1183 3.048,1184 2.009,1185 1.987,1186 2.058,1187 2.135,1188 1.276,1189 2.112,1190 1.863,1191 1.841,1192 1.952,1193 1.947,1194 1.216,1195 1.957,1196 1.714,1197 1.638,1198 1.941,1199 1.942,1200 1.211,1201 1.947,1202 1.63,1203 1.563,1204 1.86,1205 1.844,1206 1.157,1207 1.849,1208 1.577,1209 1.507,1210 1.855,1211 1.751,1212 1.062,1213 1.793,1214 1.494,1215 1.414,1216 1.747,1217 1.735,1218 1.047,1219 1.746,1220 1.346,1221 1.303,1222 1.593,1223 1.613,1224 0.782,1225 1.603,1226 1.194,1227 1.121,1228 1.576,1229 1.525,1230 0.598,1231 1.54,1232 4.394,1233 5.707,1234 2.398,1235 7.206,1236 4.595,1237 8.794,1238 6.529,1239 10.436,1241 3.28,1242 6.099,1247 12.541,1248 3.47,1249 11.114,1252 7.477,1257 43.287,1258 111.215,1259 232.252,1260 302.593,1261 358.103,1262 373.122,1263 379.122,1264 52.295,1265 8.396,1266 65.99,1267 65.99,1268 30,1269 12.789,1270 4.17,1271 3.248,1272 54.238,1273 164,1274 187,1275 0.157,1276 266.469,1277 458.83,1278 641.944,1279 56152,1280 1.4,1281 24.907,1282 0.692,1283 0.609,1284 25.407,1285 21.929,1286 17.623,1287 0.441,1288 0.329,1289 12.595,1290 16.517,1291 12.268,1292 10.124,1293 17.912,1294 13.166,1295 15.447,1296 0.281,1297 0.18,1298 15.856,1299 9.896,1300 13.347,1301 0.183,1302 0.101,1303 13.636,1304 7.351,1305 10.974,1306 0.116,1307 0.054,1308 11.141,1309 5.16,1310 9.025,1311 0.073,1312 0.028,1313 9.26,1314 3.481,1315 0.246,1316 114.168,1317 0.191,1318 32.961,1319 0.431,1320 190,1321 512.233,1322 224.237,1323 517.886,1324 710.96,1325 490,1326 223,1327 506.883,1328 253.559,1329 522.79,1330 767.92,1331 490,1332 6.824}
{0 CHEMBL488704,1 1.582,2 11.182,3 5.448,4 29.681,5 135.515,6 8.135,7 0.459,8 4.246,9 4.369,10 3.902,11 3.769,12 5.235,13 3.74,14 4.831,15 5.021,16 4.305,17 4.186,18 5.756,19 4.131,20 5.078,21 5.301,22 4.378,23 4.348,24 5.946,25 4.255,26 5.134,27 5.375,28 4.37,29 4.345,30 6.008,31 4.244,32 5.172,33 5.418,34 4.257,35 4.359,36 6.016,37 4.244,38 5.13,39 5.384,40 4.328,41 4.331,42 5.979,43 4.218,44 5.077,45 5.324,46 4.373,47 4.309,48 5.937,49 4.205,50 5.028,51 5.24,52 4.458,53 4.281,54 5.952,55 4.187,56 0.019,57 0.943,58 12.59,59 5.776,60 9.098,61 7.762,62 0.354,63 1.56,64 28.202,65 9.922,66 27.159,67 13.388,68 0.409,69 1.911,70 43.86,71 12.927,72 33.021,73 18.003,74 0.481,75 1.983,76 44.894,77 13.343,78 41.777,79 19.039,80 0.57,81 1.995,82 48.248,83 14.194,84 45.716,85 20.039,86 0.535,87 1.953,88 42.558,89 13.43,90 41.381,91 19.585,92 0.397,93 1.854,94 41.034,95 12.708,96 36.759,97 17.998,98 0.457,99 1.742,100 44.301,101 12.029,102 40.297,103 16.261,104 14,105 52,106 0.254,107 0.553,108 0.721,109 0.807,110 0.812,111 0.817,112 3.532,113 1.005,114 -5.16,115 -5.05,116 -4.73,117 1,119 39.7,121 4,124 2,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 11,169 1,171 3,172 7,175 1,176 5,181 2,183 3,186 2,187 10,190 2,192 3,194 7,197 2,198 2,201 1,205 3,208 4,209 8,212 1,214 2,217 9,220 1,221 4,227 5,231 15,234 1,238 6,242 6,249 2,252 1974,253 22.859,254 22.859,255 22.859,256 22.859,257 22.859,258 20.875,259 37.721,260 13.379,261 23.753,262 18.183,263 18.183,264 18.183,265 18.183,266 18.183,267 15.008,268 61.558,269 6.221,270 19.536,271 4.395,272 2.525,273 1.477,274 0.945,275 0.913,276 0.881,277 4.242,283 1,284 810,285 2.915,287 93.923,288 367.234,292 147.508,295 1.763,296 21.736,299 0.75,300 0.83,301 0.83,302 0.9,303 0.5,304 0.83,305 1,306 0.81,307 70.25,308 369,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.707,317 3.048,318 4.104,319 3.168,320 6.189,321 3.843,322 2.904,323 3.668,324 0.86,325 9.207,326 2.728,327 4.033,328 3.053,329 6.098,330 3.685,331 2.757,332 3.557,333 0.8,334 8.913,335 2.554,336 3.882,337 2.965,338 5.982,339 3.598,340 2.668,341 3.114,342 0.8,343 8.464,344 2.467,345 3.729,346 2.789,347 5.546,348 3.418,349 2.487,350 2.847,351 0.4,352 7.503,353 2.306,354 3.46,355 2.393,356 5.172,357 2.997,358 2.086,359 2.808,361 6.228,362 1.892,363 3.229,364 2.219,365 4.737,366 2.862,367 1.894,368 2.491,370 5.211,371 1.829,372 2.998,373 1.973,374 4.635,375 2.752,376 1.838,377 2.061,379 4.956,380 1.595,381 2.814,382 1.885,383 4.451,384 2.463,385 1.55,386 1.882,388 4.312,389 1.398,390 2.656,391 1.554,392 4.256,393 2.297,394 1.381,395 1.726,397 3.76,398 1.253,399 2.542,400 1.264,401 3.522,402 2.161,403 1.186,404 1.546,406 2.599,407 1.122,408 2,409 1.077,410 3.456,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.954,418 1.052,419 3.414,420 1.814,421 0.861,422 0.902,424 2.045,425 0.817,426 1.828,427 0.984,428 3.265,429 1.591,430 0.685,431 0.781,433 1.546,434 0.614,435 1.618,436 0.925,437 3,438 1.589,439 0.618,440 0.618,442 1.372,443 0.6,444 16.5,445 0.5,446 0.704,447 0.021,448 40.5,449 1.227,450 18,451 0.545,452 22.5,453 0.682,454 34.393,455 1.042,456 35.7,457 0.567,458 28.978,459 0.878,460 7.398,461 0.224,462 8.742,463 0.265,464 0.141,466 0.321,472 0.891,473 1.508,474 0.529,475 1.044,476 0.763,477 0.991,478 1.219,479 1.016,480 0.594,481 0.787,482 0.849,483 0.845,484 0.979,485 1.183,486 0.854,487 0.969,488 0.789,489 0.972,490 0.907,491 1.063,492 0.66,493 0.921,494 0.935,495 0.957,496 1.015,497 1.023,498 0.696,499 0.884,500 1.071,501 0.945,502 0.674,503 0.997,504 0.485,505 0.832,506 0.723,507 0.904,508 0.981,509 0.977,510 0.639,511 0.783,512 1.023,513 0.848,514 1.43,515 1.05,516 1.017,517 1.015,518 1.458,519 1.021,520 6.5,521 0.23,522 3.556,523 1.778,524 2.023,525 1.236,526 0.894,527 0.591,528 0.436,529 0.321,530 15310,531 36108,532 2.15,533 47.6,535 21,538 1,540 4,541 4,542 1.759,543 2.041,544 3.451,545 -0.352,550 99.656,551 1.582,552 3.452,553 4.501,554 5.033,555 5.064,556 5.096,557 2.89,558 4.658,559 5.011,560 3.658,561 1931.2,562 8.815,563 28480.3,568 376.569,569 1.301,570 4.989,571 0.176,572 0.007,573 0.068,574 0.033,575 0.039,576 0.025,577 0.018,578 0.012,579 0.009,580 0.008,581 0.394,582 0.17,583 0.75,584 0.712,585 173.376,586 -0.011,587 -0.285,588 0.017,589 -0.099,590 0.07,591 -0.023,592 -0.045,593 0.116,594 0.031,595 0.11,596 0.141,597 0.084,598 -0.007,599 -0.109,600 -0.026,601 -0.033,602 0.13,603 -0.018,604 0.051,605 -0.009,606 0.017,607 -0.03,608 0.098,609 -0.014,610 0.003,611 -0.007,612 -0.028,613 0.01,614 0.006,615 0.003,616 0.166,617 0.034,618 0.066,619 0.037,620 0.175,621 0.046,622 -0.043,623 0.071,624 0.062,625 0.113,626 -0.032,627 0.099,628 -0.145,629 0.013,630 -0.001,631 -0.045,632 -0.193,633 -0.077,634 1.009,635 2.045,636 0.818,637 36.722,638 0.998,639 1.129,640 3.931,641 15.451,642 0.67,643 3.638,644 3.97,645 4.277,646 4.564,647 4.82,648 4.99,649 5.182,650 5.375,651 5.561,652 5.666,653 6.979,654 0.626,655 512.5,656 3.638,657 5.187,658 6.052,659 6.938,660 7.819,661 8.712,662 9.6,663 10.497,664 11.389,665 12.29,666 7.9,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 63,705 17,706 2,707 37,708 1,709 67,710 25,711 14,712 6,713 6,717 5,718 6,724 5,727 5,729 14,730 11,747 30,748 7,749 1,750 8,751 1,755 5,760 0.8,761 2,771 1,773 1,775 1,776 4,780 1,792 1,796 4,800 1,801 2,805 33,810 8,811 1,812 2,814 1,815 2,824 1,825 3.2,830 2,832 16.167,833 11.86,834 7.306,835 3.954,836 3.19,837 1.387,838 0.996,839 7.022,840 11.435,841 3.839,842 4.431,843 5.022,844 5.624,845 6.234,846 6.625,847 7.066,848 7.534,849 7.967,850 8.198,851 1,852 54,853 12.216,854 5.15,855 7.467,856 24.125,857 20.219,859 1.967,860 64.917,864 341.362,865 122.427,866 103.785,868 22,871 168.381,872 363.362,873 57.83,874 21.766,875 18.561,876 56.857,877 33.571,878 67.275,879 4.227,880 341.362,881 45.954,882 341.362,883 180.258,884 22,886 45.954,887 247.193,888 116.169,891 43.739,892 102.948,893 33.571,894 45.954,895 341.362,896 79.83,897 168.381,900 341.362,901 43.804,902 84.872,903 63.965,904 55.571,905 341.362,906 79.83,907 168.381,909 0.578,910 0.347,911 0.193,912 0.103,913 26,914 11,915 0.09,916 6,917 1,918 1.074,919 4.369,920 319.745,921 0.074,922 27,923 158.465,928 22.85,929 10.141,930 4.969,931 1.722,932 79.83,933 11.952,934 9.923,938 4.802,940 18.011,941 589.574,942 45.5,952 62.88,953 71.15,954 0.265,955 0.578,956 0.753,957 0.842,958 0.847,959 0.853,960 5.095,961 1.838,962 6.033,963 5.211,964 4.654,965 5.118,966 1.824,967 6.851,968 4.52,969 6.281,970 1.55,971 7.592,972 4.956,973 4.205,974 4.945,975 0.57,976 7.735,977 3.962,978 7.586,979 1.381,980 9.248,981 4.312,982 6.256,983 7.312,984 1.426,985 10.834,986 6.006,987 8.926,988 1.186,989 10.961,990 3.76,991 6.635,992 7.977,993 0.479,994 12.527,995 6.291,996 10.298,997 1,998 12.709,999 2.599,1000 8.124,1001 9.836,1002 1.153,1003 15.128,1004 7.768,1005 11.693,1006 0.861,1007 14.482,1008 2.275,1009 8.885,1010 10.909,1011 0.346,1012 17.163,1013 8.451,1014 13.105,1015 0.685,1016 16.272,1017 2.045,1018 10.149,1019 12.56,1020 0.931,1021 19.588,1022 9.692,1023 3.184,1024 0.618,1025 18.075,1026 1.546,1027 11.094,1028 13.847,1029 0.237,1030 21.782,1031 10.574,1032 2.904,1033 10.707,1034 19.887,1035 1.372,1036 12.265,1037 15.41,1038 0.742,1039 24.145,1040 11.715,1041 2.757,1042 9.207,1043 21.708,1044 4.549,1045 13.301,1046 16.808,1047 0.158,1048 26.415,1049 12.698,1050 2.668,1051 8.913,1052 23.535,1053 3.668,1054 14.437,1055 18.335,1056 0.583,1057 28.76,1058 13.801,1059 2.487,1060 8.464,1061 25.368,1062 3.557,1063 15.518,1064 19.789,1065 0.104,1066 31.07,1067 14.836,1068 2.086,1069 7.503,1070 27.205,1071 3.114,1072 16.645,1073 21.303,1074 0.452,1075 33.413,1076 15.927,1077 1.894,1078 6.228,1079 29.046,1080 2.847,1081 17.75,1082 22.786,1083 0.068,1084 35.744,1085 16.99,1086 14294,1087 22213,1088 25.255,1089 42.188,1090 54.802,1091 55.869,1092 56.624,1093 55.247,1094 55.033,1095 68.034,1096 7.44,1097 159.436,1098 51.121,1099 5.611,1100 5.327,1101 6.225,1102 5.217,1103 5.184,1104 7.549,1105 1.72,1106 17.742,1107 5.048,1108 13.513,1109 1.481,1110 1.51,1111 1.53,1112 1.493,1113 1.487,1114 1.839,1115 0.201,1116 4.309,1117 1.382,1118 4.096,1119 4.131,1120 6.88,1121 3.987,1122 5.09,1123 4.002,1124 3.913,1125 3.974,1126 4.065,1127 3.837,1128 4.79,1129 3.819,1130 3.875,1131 3.9,1132 3.802,1133 3.762,1134 4.724,1135 3.762,1136 3.7,1137 3.767,1138 3.729,1139 3.54,1140 4.498,1141 3.535,1142 3.481,1143 3.52,1144 3.58,1145 3.267,1146 4.391,1147 3.3,1148 3.254,1149 3.319,1150 3.395,1151 2.988,1152 4.168,1153 3,1154 3.126,1155 3.209,1156 3.087,1157 2.941,1158 4.129,1159 2.91,1160 3.111,1161 3.206,1162 2.979,1163 2.918,1164 3.94,1165 2.904,1166 0.125,1167 0.09,1168 0.179,1169 0.112,1170 0.086,1171 4.611,1172 0.123,1173 3.327,1174 0.023,1175 6.628,1176 0.289,1177 4.14,1178 0.082,1179 3.184,1180 4.549,1181 0.86,1182 10.707,1183 3.048,1184 2.012,1185 1.989,1186 2.073,1187 2.142,1188 1.419,1189 2.122,1190 1.866,1191 1.843,1192 2.011,1193 2.002,1194 1.211,1195 2.011,1196 1.822,1197 1.764,1198 1.941,1199 1.939,1200 1.184,1201 1.951,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.058,1207 1.793,1208 1.428,1209 1.373,1210 1.65,1211 1.691,1212 0.95,1213 1.675,1214 1.327,1215 1.259,1216 1.593,1217 1.589,1218 0.825,1219 1.592,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.606,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.317,1233 5.645,1234 2.398,1235 7.174,1236 4.443,1237 8.795,1238 6.293,1239 10.467,1240 3.556,1241 3.292,1247 9.419,1248 3.497,1249 11.088,1251 0.688,1252 4.977,1257 39.41,1258 99.656,1259 217.507,1260 283.549,1261 317.059,1262 319.059,1263 321.059,1264 45.128,1265 8.246,1266 62.75,1267 62.75,1268 29,1269 12.813,1270 4.17,1271 3.248,1272 47.53,1273 136,1274 143,1275 0.168,1276 244.071,1277 417.3,1278 587.292,1279 44062,1280 1.6,1281 22.786,1282 0.69,1283 0.629,1284 23.786,1285 20.768,1286 16.14,1287 0.436,1288 0.335,1289 11.457,1290 14.88,1291 11.136,1292 9.188,1293 16.717,1294 12.39,1295 14.316,1296 0.275,1297 0.185,1298 15.133,1299 9.609,1300 12.549,1301 0.177,1302 0.101,1303 13.073,1304 7.174,1305 10.762,1306 0.113,1307 0.056,1308 11.3,1309 5.32,1310 8.579,1311 0.07,1312 0.028,1313 8.911,1314 3.502,1315 0.261,1316 109.815,1317 0.199,1318 30.414,1319 0.473,1320 178,1321 473.039,1322 260.84,1323 488.716,1324 673.54,1325 462,1326 212,1327 480.993,1328 258.844,1329 499.719,1330 735.96,1331 469,1332 6.475}
{0 CHEMBL488855,1 1.549,2 13.892,3 5.868,4 34.431,5 150.782,6 7.097,7 0.415,8 4.394,9 4.526,10 3.93,11 3.879,12 5.36,13 3.85,14 4.989,15 5.195,16 4.28,17 4.285,18 5.888,19 4.229,20 5.259,21 5.492,22 4.405,23 4.493,24 6.107,25 4.402,26 5.363,27 5.623,28 4.299,29 4.497,30 6.167,31 4.37,32 5.362,33 5.645,34 4.316,35 4.444,36 6.164,37 4.338,38 5.25,39 5.487,40 4.338,41 4.485,42 6.096,43 4.385,44 5.359,45 5.61,46 4.376,47 4.554,48 6.17,49 4.437,50 5.409,51 5.668,52 4.339,53 4.55,54 6.191,55 4.416,56 0.031,57 1.105,58 16.981,59 6.594,60 9.92,61 9.443,62 0.437,63 1.778,64 34.204,65 10.792,66 31.47,67 15.842,68 0.542,69 2.225,70 46.814,71 14.541,72 39.596,73 21.828,74 0.523,75 2.341,76 51.933,77 16.166,78 46.718,79 24.591,80 0.819,81 2.28,82 52.165,83 14.852,84 57.331,85 23.344,86 0.557,87 2.233,88 44.715,89 14.278,90 41.647,91 21.754,92 0.528,93 2.391,94 50.325,95 16.308,96 46.042,97 24.715,98 0.573,99 2.353,100 54.352,101 17.605,102 47.58,103 25.861,104 14,105 56,106 0.241,107 0.503,108 0.666,109 0.796,110 0.827,111 0.84,112 3.642,113 1,114 -4.91,115 -4.81,116 -4.51,119 37.8,121 4,124 2,125 8,138 6,139 1,140 4,142 1,143 1,146 1,163 5,165 3,166 9,169 1,171 3,172 6,175 3,176 6,181 3,183 5,186 1,187 8,190 2,192 1,194 2,197 4,198 6,201 1,203 1,205 4,208 3,209 5,212 1,214 1,217 6,220 1,221 9,224 1,227 6,230 2,231 8,238 4,241 1,242 8,249 3,252 2878,253 25.635,254 25.635,255 25.635,256 25.635,257 25.635,258 23.651,259 40.106,260 15.24,261 26.626,262 20.162,263 20.162,264 20.162,265 20.162,266 20.162,267 16.998,268 60.438,269 7.15,270 21.654,271 4.66,272 2.976,273 1.926,274 1.088,275 0.885,276 0.804,277 4.353,279 1,283 1,284 1120,285 3.24,288 440.952,289 128.268,292 170.875,295 2.123,296 25.211,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 79.333,308 514,309 4.61,310 3.324,311 6.628,312 4.139,313 3.183,314 4.549,315 0.86,316 10.705,317 3.048,318 4.094,319 3.122,320 6.141,321 3.735,322 2.815,323 3.642,324 0.86,325 9.066,326 2.586,327 4.005,328 2.973,329 5.994,330 3.617,331 2.676,332 3.551,333 0.8,334 8.494,335 2.511,336 3.798,337 2.904,338 5.483,339 3.505,340 2.577,341 3.108,342 0.8,343 7.288,344 2.389,345 3.578,346 2.823,347 5.416,348 3.43,349 2.496,350 2.851,351 0.8,352 7.174,353 2.324,354 3.496,355 2.672,356 5.242,357 3.261,358 2.341,359 2.613,360 0.4,361 6.688,362 2.151,363 3.38,364 2.455,365 5.148,366 3.04,367 2.137,368 2.587,370 6.2,371 1.906,372 3.301,373 2.224,374 4.855,375 2.823,376 1.892,377 2.399,379 5.526,380 1.697,381 2.88,382 1.903,383 4.554,384 2.548,385 1.609,386 1.973,388 4.586,389 1.516,390 2.679,391 1.679,392 4.333,393 2.464,394 1.511,395 1.708,397 3.959,398 1.429,399 2.5,400 1.55,401 3.644,402 2.361,403 1.439,404 1.5,406 3.149,407 1.318,408 2.49,409 1.362,410 3.554,411 2.222,412 1.258,413 1.49,415 2.769,416 1.205,417 2.276,418 1.077,419 3.499,420 2,421 1,422 1.275,424 2.275,425 1,426 2,427 1.065,428 3.414,429 1.984,430 1,431 1,433 2.136,434 0.983,435 1.947,436 1,437 3.247,438 1.696,439 0.764,440 0.867,442 1.745,443 0.705,444 17.781,445 0.481,446 0.721,447 0.019,448 43.5,449 1.176,450 18,451 0.486,452 25.5,453 0.689,454 39.319,455 1.063,456 41.619,457 0.562,458 34.33,459 0.928,460 8.267,461 0.223,462 9.856,463 0.266,464 0.096,466 0.292,472 0.875,473 1.642,474 0.738,475 1.232,476 0.704,477 1.081,478 1.25,479 1.043,480 0.845,481 0.861,482 0.801,483 0.884,484 0.948,485 1.13,486 0.928,487 0.988,488 0.758,489 0.976,490 0.867,491 1.17,492 0.906,493 1.073,494 0.859,495 1.057,496 0.927,497 0.85,498 0.678,499 0.707,500 0.818,501 0.747,502 0.84,503 1.094,504 0.877,505 0.983,506 0.822,507 1.01,508 0.809,509 1.068,510 0.826,511 1,512 0.81,513 1.015,514 1.065,515 0.973,516 0.892,517 0.974,518 0.944,519 1.009,520 7,521 0.286,522 3.556,523 1.563,524 2.227,525 1.268,526 0.829,527 0.727,528 0.483,529 0.319,530 21688,531 49110,532 2.133,533 50,534 2,535 28,538 1,540 4,541 2,542 1.785,543 2.037,544 3.707,545 -0.365,550 114.634,551 1.549,552 3.233,553 4.283,554 5.121,555 5.324,556 5.405,557 3.213,558 4.831,559 5.173,560 3.908,561 2603.04,562 9.13,563 42528.3,568 459.5,569 1.241,570 5.159,571 0.171,572 0.007,573 0.063,574 0.025,575 0.041,576 0.022,577 0.014,578 0.012,579 0.009,580 0.007,581 0.372,582 0.17,583 0.75,584 0.662,585 203.639,586 -0.002,587 -0.348,588 0.061,589 -0.141,590 0.076,591 -0.04,592 -0.078,593 0.12,594 0.029,595 0.108,596 0.121,597 0.075,598 0.018,599 -0.035,600 -0.003,601 -0.009,602 0.126,603 0.001,604 0.01,605 -0.14,606 -0.035,607 -0.118,608 0.053,609 -0.085,610 0.082,611 0.148,612 0.143,613 0.187,614 0.127,615 0.187,616 0.024,617 0.02,618 -0.046,619 -0.02,620 0.02,621 -0.037,622 0.007,623 -0.004,624 -0.004,625 -0.034,626 0.024,627 -0.035,628 -0.074,629 0.029,630 -0.018,631 -0.01,632 -0.03,633 -0.034,634 1.023,635 2.067,636 0.784,637 48.469,638 0.996,639 1.135,640 3.676,641 13.516,642 0.648,643 3.738,644 4.043,645 4.317,646 4.575,647 4.875,648 5.017,649 5.182,650 5.375,651 5.553,652 5.645,653 8.069,654 0.606,655 525.16,656 3.738,657 5.273,658 6.12,659 6.989,660 7.855,661 8.732,662 9.608,663 10.492,664 11.375,665 12.263,666 8.1,669 2,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 74,705 17,706 2,707 41,709 78,710 28,711 14,712 6,713 6,717 5,718 6,719 1,724 4,727 4,729 14,730 14,747 37,748 8,749 1,750 9,751 1,755 6,760 0.8,761 2,771 1,776 4,777 1,780 1,792 2,796 4,801 2,802 1,805 37,810 12,811 1,812 2,815 3,824 1,825 2.7,830 2,832 18.167,833 13.726,834 8.278,835 4.704,836 3.151,837 1.371,838 0.983,839 9.003,840 11.634,841 3.922,842 4.477,843 5.042,844 5.623,845 6.254,846 6.623,847 7.062,848 7.524,849 7.956,850 8.162,851 1,852 62,853 13.708,854 5.706,855 7.471,856 27.122,857 22.416,859 1.971,860 72.944,864 423.76,865 131.296,866 60.955,867 39.149,868 22,871 131.296,872 484.908,873 60.955,874 21.766,875 26.984,876 56.857,877 33.571,878 70.845,879 4.227,880 423.76,881 39.149,882 423.76,883 192.25,884 22,885 39.149,887 353.133,888 92.626,891 55.286,892 103.393,893 72.72,895 423.76,896 82.955,897 170.444,900 423.76,901 52.672,902 87.997,903 18.011,904 94.719,905 423.76,906 82.955,907 170.444,909 0.572,910 0.336,911 0.181,912 0.105,913 26,914 11,915 0.103,916 8,917 1,918 1.069,919 4.732,920 363.271,921 0.069,922 29,923 182.75,928 26.451,929 12.593,930 6.649,931 1.68,932 82.955,933 11.484,934 9.984,938 4.356,940 18.011,941 677.159,942 49.5,952 73.727,953 83.996,954 0.249,955 0.521,956 0.69,957 0.825,958 0.857,959 0.87,960 5.166,961 1.892,962 6.084,963 6.2,964 4.727,965 5.165,966 1.968,967 6.866,968 4.592,969 6.332,970 1.609,971 7.62,972 5.526,973 4.205,974 4.945,975 0.766,976 7.687,977 3.954,978 7.622,979 1.511,980 9.252,981 4.586,982 6.293,983 7.325,984 1.531,985 10.772,986 6.035,987 8.946,988 1.439,989 10.942,990 3.959,991 6.594,992 7.967,993 0.653,994 12.422,995 6.233,996 10.305,997 1.258,998 12.669,999 3.149,1000 8.114,1001 9.832,1002 1.235,1003 15.017,1004 7.743,1005 11.688,1006 1,1007 14.422,1008 2.769,1009 8.815,1010 10.896,1011 0.482,1012 17.036,1013 8.363,1014 13.091,1015 1,1016 16.194,1017 2.275,1018 10.094,1019 12.552,1020 0.995,1021 19.463,1022 9.623,1023 3.183,1024 0.764,1025 17.981,1026 2.136,1027 11.001,1028 13.836,1029 0.337,1030 21.657,1031 10.468,1032 2.815,1033 10.705,1034 19.781,1035 1.745,1036 12.178,1037 15.401,1038 0.792,1039 24.027,1040 11.619,1041 2.676,1042 9.066,1043 21.591,1044 4.549,1045 13.193,1046 16.799,1047 0.229,1048 26.305,1049 12.585,1050 2.577,1051 8.494,1052 23.41,1053 3.642,1054 14.331,1055 18.327,1056 0.621,1057 28.659,1058 13.693,1059 2.496,1060 7.288,1061 25.236,1062 3.551,1063 15.403,1064 19.782,1065 0.153,1066 30.979,1067 14.723,1068 2.341,1069 7.174,1070 27.069,1071 3.108,1072 16.531,1073 21.297,1074 0.48,1075 33.332,1076 15.819,1077 2.137,1078 6.688,1079 28.908,1080 2.851,1081 17.634,1082 22.781,1083 0.1,1084 35.672,1085 16.883,1086 20345,1087 31002,1088 28.027,1089 47.983,1090 59.964,1091 60.945,1092 61.767,1093 60.046,1094 59.893,1095 72.927,1096 9.04,1097 168.545,1098 55.729,1099 5.61,1100 5.324,1101 6.43,1102 5.216,1103 5.183,1104 7.549,1105 1.72,1106 17.739,1107 5.048,1108 14.787,1109 1.463,1110 1.486,1111 1.507,1112 1.465,1113 1.461,1114 1.779,1115 0.22,1116 4.111,1117 1.359,1118 4.094,1119 4.128,1120 4.078,1121 3.984,1122 5.094,1123 4,1124 3.887,1125 3.954,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.876,1131 3.904,1132 3.762,1133 3.716,1134 4.761,1135 3.716,1136 3.785,1137 3.853,1138 3.661,1139 3.614,1140 4.5,1141 3.615,1142 3.526,1143 3.578,1144 3.484,1145 3.307,1146 4.398,1147 3.336,1148 3.401,1149 3.471,1150 3.349,1151 3.215,1152 4.376,1153 3.212,1154 3.268,1155 3.351,1156 3.222,1157 3.096,1158 4.257,1159 3.078,1160 3.25,1161 3.317,1162 3.075,1163 2.979,1164 4.066,1165 2.991,1166 0.112,1167 0.081,1168 0.162,1169 0.101,1170 0.078,1171 4.61,1172 0.111,1173 3.324,1174 0.021,1175 6.628,1176 0.261,1177 4.139,1178 0.074,1179 3.183,1180 4.549,1181 0.86,1182 10.705,1183 3.048,1184 2.009,1185 1.987,1186 2.063,1187 2.135,1188 1.417,1189 2.112,1190 1.863,1191 1.841,1192 2.057,1193 2.033,1194 1.254,1195 2.047,1196 1.838,1197 1.77,1198 1.952,1199 1.947,1200 1.209,1201 1.957,1202 1.669,1203 1.597,1204 1.912,1205 1.881,1206 1.147,1207 1.896,1208 1.625,1209 1.556,1210 1.845,1211 1.843,1212 1.048,1213 1.846,1214 1.361,1215 1.314,1216 1.636,1217 1.618,1218 0.951,1219 1.612,1220 1.31,1221 1.233,1222 1.591,1223 1.54,1224 0.825,1225 1.572,1226 1.194,1227 1.12,1228 1.576,1229 1.524,1230 0.598,1231 1.54,1232 4.419,1233 5.727,1235 7.229,1236 2.708,1237 8.822,1238 5.094,1239 10.465,1241 3.283,1242 6.106,1247 13.924,1248 3.475,1249 11.129,1252 7.523,1257 44.814,1258 114.634,1259 239.273,1260 316.97,1261 378.97,1262 393.99,1263 399.99,1264 55.143,1265 8.483,1266 65.99,1267 65.99,1268 31,1269 12.795,1270 4.17,1271 3.248,1272 56.576,1273 174,1274 211,1275 0.153,1276 276.061,1277 476.13,1278 665.349,1279 63658,1280 1.4,1281 25.614,1282 0.692,1283 0.612,1284 26.114,1285 22.636,1286 18.123,1287 0.442,1288 0.333,1289 13.095,1290 17.017,1291 12.758,1292 10.541,1293 18.412,1294 13.666,1295 15.801,1296 0.282,1297 0.183,1298 16.209,1299 10.249,1300 13.597,1301 0.184,1302 0.103,1303 13.886,1304 7.601,1305 11.151,1306 0.116,1307 0.056,1308 11.318,1309 5.336,1310 9.637,1311 0.074,1312 0.03,1313 9.873,1314 3.955,1315 0.242,1316 117.168,1317 0.189,1318 33.776,1319 0.418,1320 194,1321 516.233,1322 228.237,1323 522.047,1324 716.72,1325 494,1326 227,1327 510.883,1328 257.559,1329 526.952,1330 773.68,1331 494,1332 6.886}
{0 CHEMBL488857,1 1.613,2 13.029,3 4.426,4 19.589,5 136.315,6 7.365,7 0.459,8 4.282,9 4.406,10 3.836,11 3.758,12 5.331,13 3.739,14 4.846,15 5.04,16 4.189,17 4.149,18 5.823,19 4.107,20 5.081,21 5.294,22 4.306,23 4.334,24 6.02,25 4.262,26 5.203,27 5.444,28 4.248,29 4.37,30 6.111,31 4.271,32 5.249,33 5.509,34 4.238,35 4.378,36 6.11,37 4.271,38 5.216,39 5.468,40 4.233,41 4.376,42 6.107,43 4.27,44 5.192,45 5.439,46 4.246,47 4.347,48 6.104,49 4.25,50 5.151,51 5.389,52 4.205,53 4.295,54 6.08,55 4.203,56 0.045,57 0.96,58 14.518,59 5.867,60 11.803,61 8.047,62 0.43,63 1.516,64 29.139,65 9.542,66 34.473,67 13.366,68 0.465,69 1.863,70 38.729,71 12.02,72 42.195,73 17.632,74 0.625,75 2.03,76 44.051,77 13.457,78 54.012,79 20.028,80 0.675,81 2.052,82 45.684,83 14.148,84 58.656,85 21.428,86 0.662,87 2.013,88 44.336,89 14.06,90 55.688,91 20.852,92 0.543,93 1.955,94 43.123,95 13.276,96 55.444,97 19.848,98 0.66,99 1.807,100 42.325,101 12.581,102 59.693,103 18.112,104 38,105 51,106 0.257,107 0.58,108 0.763,109 0.822,110 0.827,111 0.832,112 3.561,113 0.967,114 -4.31,115 -4.25,116 -4.01,119 37.9,121 3,124 3,125 4,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 3,165 3,166 10,169 1,171 4,172 6,175 1,176 5,181 3,183 5,186 2,187 10,190 3,192 1,194 4,197 2,198 3,201 1,203 1,205 4,208 4,209 5,212 1,214 4,217 8,220 1,221 7,227 5,231 10,234 2,238 5,242 7,249 5,252 2204,253 23.281,254 23.281,255 23.281,256 23.281,257 23.281,258 21.298,259 37.175,260 13.761,261 24.186,262 18.105,263 18.105,264 18.105,265 18.105,266 18.105,267 14.941,268 60.16,269 6.345,270 19.463,271 4.431,272 2.403,273 1.254,274 0.883,275 0.852,276 0.822,277 4.257,279 1,283 1,284 940,285 3.742,288 397.664,292 160.205,295 1.913,296 29.139,299 1,300 0.83,301 0.83,302 1,303 1,304 1,305 1,306 0.95,307 73.833,308 443,309 4.611,310 3.326,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.097,319 3.146,320 6.16,321 3.809,322 2.872,323 3.642,324 0.86,325 9.111,326 2.692,327 4.009,328 3.01,329 6.035,330 3.664,331 2.73,332 3.551,333 0.8,334 8.621,335 2.546,336 3.85,337 2.945,338 5.952,339 3.565,340 2.63,341 3.115,342 0.8,343 8.338,344 2.449,345 3.689,346 2.802,347 5.482,348 3.403,349 2.471,350 2.855,351 0.4,352 7.284,353 2.292,354 3.494,355 2.458,356 5.148,357 3.042,358 2.138,359 2.756,361 6.2,362 1.907,363 3.302,364 2.224,365 4.855,366 2.824,367 1.893,368 2.611,370 5.527,371 1.704,372 2.93,373 1.914,374 4.587,375 2.719,376 1.766,377 2.012,379 4.721,380 1.673,381 2.771,382 1.901,383 4.388,384 2.466,385 1.55,386 1.815,388 4.153,389 1.411,390 2.526,391 1.68,392 4.134,393 2.325,394 1.409,395 1.527,397 3.566,398 1.28,399 2.5,400 1.367,401 3.499,402 2.001,403 1.078,404 1.5,406 2.275,407 1,408 2.121,409 1.077,410 3.414,411 2,412 1,413 1.112,415 2.275,416 0.99,417 2,418 1.043,419 3.414,420 1.984,421 1,422 1,424 2.177,425 0.983,426 1.918,427 1,428 3.251,429 1.611,430 0.715,431 0.833,433 1.604,434 0.633,435 1.529,436 0.991,437 2.944,438 1.226,439 0.377,440 0.413,442 0.531,443 0.317,444 16.214,445 0.477,446 0.742,447 0.022,448 41,449 1.206,450 18,451 0.529,452 23,453 0.676,454 34.065,455 1.002,456 38.386,457 0.582,458 33.025,459 0.971,460 8.046,461 0.237,462 8.47,463 0.249,464 0.157,466 0.327,472 0.909,473 1.579,474 0.722,475 1.192,476 0.868,477 1.048,478 1.166,479 0.999,480 0.798,481 0.819,482 0.849,483 0.838,484 0.949,485 1.249,486 0.932,487 1.018,488 0.777,489 0.986,490 0.87,491 1.075,492 0.922,493 1.004,494 0.815,495 1.024,496 0.766,497 1.015,498 0.705,499 0.884,500 0.631,501 0.903,502 0.783,503 0.968,504 0.795,505 0.903,506 0.909,507 0.934,508 0.904,509 1.081,510 0.79,511 0.948,512 0.977,513 0.955,514 1.289,515 0.894,516 0.946,517 0.856,518 1.187,519 0.936,520 7,521 0.326,522 4,523 1.875,524 2.253,525 1.271,526 0.969,527 0.701,528 0.479,529 0.351,530 15775,531 42401,532 2.059,533 48.5,535 24,538 2,541 6,542 1.765,543 1.925,544 3.61,545 0.206,550 106.469,551 1.613,552 3.642,553 4.79,554 5.162,555 5.192,556 5.222,557 3.091,558 4.735,559 5.049,560 3.788,561 2125.23,562 8.891,563 32319.7,568 398.93,569 1.419,570 5.016,571 0.189,572 0.01,573 0.078,574 0.033,575 0.043,576 0.024,577 0.019,578 0.014,579 0.01,580 0.008,581 0.43,582 0.17,583 0.88,584 1.314,585 181.523,586 -0.053,587 -0.3,588 0.04,589 -0.112,590 -0.055,591 -0.029,592 -0.086,593 0.153,594 0.052,595 0.156,596 0.015,597 0.119,598 -0.038,599 -0.138,600 -0.016,601 -0.03,602 0.02,603 -0.009,604 -0.002,605 -0.001,606 -0.06,607 -0.059,608 -0.028,609 -0.062,610 0.06,611 0.001,612 0.077,613 0.05,614 0.061,615 0.066,616 0.049,617 0.069,618 0.025,619 0.045,620 -0.01,621 0.038,622 -0.027,623 -0.039,624 0.035,625 -0.003,626 -0.039,627 0.011,628 -0.162,629 0.142,630 -0.048,631 0.079,632 -0.163,633 0.007,634 1.272,635 3.126,636 0.647,637 41.91,638 1.003,639 1.134,640 3.081,641 9.495,642 0.65,643 3.638,644 3.951,645 4.234,646 4.489,647 4.796,648 4.942,649 5.136,650 5.313,651 5.505,652 5.595,653 7.443,654 0.613,655 486.07,656 3.638,657 5.176,658 6.028,659 6.905,660 7.779,661 8.665,662 9.551,663 10.443,664 11.334,665 12.231,666 7.6,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 66,705 17,706 2,707 37,709 69,710 25,711 14,712 6,713 6,717 4,718 5,719 1,721 1,724 3,727 4,729 14,730 11,747 32,748 8,749 2,750 9,751 1,755 5,760 0.75,761 3,762 1,771 1,776 4,780 1,792 1,794 1,796 3,801 3,802 1,805 34,809 1,810 7,811 1,812 2,814 1,815 2,824 1,825 4.5,826 1,830 2,832 17.667,833 12.56,834 7.722,835 3.904,836 3.196,837 1.395,838 0.945,839 8.451,840 11.277,841 3.839,842 4.419,843 5.002,844 5.593,845 6.235,846 6.61,847 7.059,848 7.523,849 7.963,850 8.179,851 0.889,852 56,853 12.55,854 5.19,855 7.641,856 24.314,857 19.723,859 2.141,860 72.778,864 353.133,865 126.629,866 57.83,867 39.149,868 64.683,871 126.629,872 456.965,873 57.83,874 30.162,875 13.921,876 99.541,877 33.571,878 67.72,879 4.227,880 353.133,881 39.149,882 353.133,883 184.459,884 64.683,885 39.149,887 282.506,888 92.626,889 42.683,891 39.099,892 111.789,893 72.72,895 353.133,896 122.514,897 165.778,900 353.133,901 39.609,902 93.269,903 18.011,904 137.403,905 353.133,906 122.514,907 165.778,909 0.571,910 0.34,911 0.18,912 0.106,913 23,914 11,915 0.13,916 9,917 1,918 1.091,919 4.381,920 320.294,921 0.091,922 22,923 164.974,928 24.953,929 11.515,930 5.926,931 1.622,932 122.514,933 11.32,934 9.811,938 4.197,940 60.694,941 641.424,942 45.5,952 66.185,953 74.877,954 0.267,955 0.603,956 0.792,957 0.854,958 0.859,959 0.864,960 5.083,961 1.766,962 6.009,963 5.527,964 4.635,965 5.106,966 1.824,967 6.817,968 4.5,969 6.27,970 1.55,971 7.567,972 4.721,973 4.205,974 4.945,975 0.57,976 7.703,977 3.974,978 7.573,979 1.409,980 9.222,981 4.153,982 6.229,983 7.302,984 1.426,985 10.787,986 5.98,987 8.911,988 1.078,989 10.933,990 3.566,991 6.608,992 7.97,993 0.479,994 12.471,995 6.272,996 10.282,997 1,998 12.679,999 2.275,1000 8.089,1001 9.828,1002 1.153,1003 15.07,1004 7.737,1005 11.675,1006 1,1007 14.449,1008 2.275,1009 8.846,1010 10.9,1011 0.346,1012 17.1,1013 8.42,1014 13.086,1015 0.715,1016 16.236,1017 2.177,1018 10.106,1019 12.553,1020 0.931,1021 19.526,1022 9.658,1023 3.184,1024 0.377,1025 18.036,1026 1.604,1027 11.048,1028 13.839,1029 0.237,1030 21.72,1031 10.539,1032 2.872,1033 10.706,1034 19.847,1035 0.531,1036 12.217,1037 15.403,1038 0.742,1039 24.085,1040 11.68,1041 2.73,1042 9.111,1043 21.665,1044 4.549,1045 13.251,1046 16.8,1047 0.158,1048 26.358,1049 12.662,1050 2.63,1051 8.621,1052 23.49,1053 3.642,1054 14.387,1055 18.328,1056 0.583,1057 28.707,1058 13.765,1059 2.471,1060 8.338,1061 25.321,1062 3.551,1063 15.468,1064 19.783,1065 0.104,1066 31.02,1067 14.801,1068 2.138,1069 7.284,1070 27.157,1071 3.115,1072 16.594,1073 21.298,1074 0.452,1075 33.368,1076 15.892,1077 1.893,1078 6.2,1079 28.998,1080 2.855,1081 17.7,1082 22.781,1083 0.068,1084 35.703,1085 16.956,1086 15383,1087 25420,1088 24.561,1089 42.909,1090 54.215,1091 55.683,1092 57.165,1093 54.347,1094 54.264,1095 67.304,1096 7.44,1097 155.406,1098 50.395,1099 5.611,1100 5.326,1101 6.491,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 18.149,1109 1.465,1110 1.505,1111 1.545,1112 1.469,1113 1.467,1114 1.819,1115 0.201,1116 4.2,1117 1.362,1118 4.095,1119 4.129,1120 4.078,1121 3.985,1122 6.456,1123 4.001,1124 3.878,1125 3.931,1126 3.966,1127 3.82,1128 5.094,1129 3.814,1130 3.869,1131 3.901,1132 3.759,1133 3.716,1134 4.936,1135 3.717,1136 3.633,1137 3.7,1138 3.525,1139 3.441,1140 4.762,1141 3.442,1142 3.485,1143 3.526,1144 3.427,1145 3.27,1146 4.5,1147 3.301,1148 3.293,1149 3.376,1150 3.313,1151 3.039,1152 4.395,1153 3.049,1154 3.252,1155 3.317,1156 3.115,1157 2.971,1158 4.351,1159 2.981,1160 3.114,1161 3.206,1162 3.065,1163 2.941,1164 4.119,1165 2.91,1166 0.125,1167 0.09,1168 0.179,1169 0.112,1170 0.086,1171 4.611,1172 0.123,1173 3.326,1174 0.023,1175 6.628,1176 0.289,1177 4.14,1178 0.082,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.078,1187 2.144,1188 1.423,1189 2.123,1190 1.865,1191 1.841,1192 2.024,1193 2.021,1194 1.189,1195 2.028,1196 1.836,1197 1.777,1198 1.949,1199 1.945,1200 1.162,1201 1.954,1202 1.603,1203 1.536,1204 1.864,1205 1.825,1206 1.048,1207 1.839,1208 1.385,1209 1.345,1210 1.613,1211 1.651,1212 0.825,1213 1.633,1214 1.249,1215 1.16,1216 1.587,1217 1.543,1218 0.742,1219 1.56,1220 1.194,1221 1.119,1222 1.576,1223 1.524,1224 0.6,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.317,1233 5.631,1235 7.151,1237 8.765,1239 10.432,1241 5.375,1242 6.065,1246 9.126,1247 5.719,1248 3.428,1249 11.034,1251 0.499,1252 4.582,1257 40.454,1258 106.469,1259 240.362,1260 316.136,1261 340.665,1262 342.665,1263 344.665,1264 59.137,1265 8.082,1266 82.98,1267 82.98,1268 24,1269 12.757,1270 4.17,1271 3.248,1272 56.627,1273 149,1274 196,1275 0.185,1276 251.879,1277 434.38,1278 606.346,1279 35533,1280 1.5,1281 24.079,1282 0.708,1283 0.608,1284 24.579,1285 20.678,1286 16.516,1287 0.446,1288 0.322,1289 11.36,1290 15.424,1291 11.006,1292 9.131,1293 16.805,1294 11.923,1295 14.38,1296 0.282,1297 0.175,1298 14.788,1299 8.941,1300 12.39,1301 0.182,1302 0.097,1303 12.679,1304 6.588,1305 9.984,1306 0.113,1307 0.051,1308 10.15,1309 4.485,1310 8.609,1311 0.072,1312 0.027,1313 8.845,1314 3.206,1315 0.289,1316 107.668,1317 0.202,1318 31.326,1319 0.513,1320 176,1321 510.737,1322 209.595,1323 513.72,1324 695.92,1325 484,1326 207,1327 486.286,1328 236.002,1329 503.294,1330 736.3,1331 470,1332 6.553}
{0 CHEMBL495736,1 1.572,2 13.73,3 4.762,4 22.672,5 149.92,6 7.207,7 0.415,8 4.384,9 4.508,10 3.926,11 3.879,12 5.385,13 3.852,14 4.975,15 5.167,16 4.29,17 4.301,18 5.901,19 4.246,20 5.252,21 5.474,22 4.408,23 4.496,24 6.126,25 4.405,26 5.375,27 5.628,28 4.332,29 4.505,30 6.238,31 4.391,32 5.372,33 5.635,34 4.296,35 4.494,36 6.179,37 4.372,38 5.338,39 5.596,40 4.291,41 4.481,42 6.178,43 4.358,44 5.314,45 5.572,46 4.259,47 4.446,48 6.152,49 4.33,50 5.268,51 5.523,52 4.267,53 4.385,54 6.15,55 4.288,56 0.032,57 1.067,58 16.486,59 6.737,60 11.48,61 9.275,62 0.413,63 1.745,64 33.118,65 11.321,66 35.697,67 15.9,68 0.428,69 2.197,70 45.882,71 14.988,72 41.015,73 21.984,74 0.704,75 2.36,76 52.861,77 16.112,78 62.964,79 24.04,80 0.652,81 2.312,82 51.386,83 16.514,84 58.493,85 24.714,86 0.711,87 2.265,88 51.355,89 15.985,90 57.625,91 23.955,92 0.538,93 2.193,94 49.141,95 15.443,96 53.049,97 23.043,98 0.704,99 2.064,100 47.672,101 13.902,102 63.094,103 20.726,104 26,105 57,106 0.245,107 0.56,108 0.757,109 0.837,110 0.842,111 0.846,112 3.642,113 0.986,114 -4.91,115 -4.81,116 -4.51,119 38.4,121 4,122 1,124 2,125 6,127 1,138 6,139 2,140 3,142 1,143 1,146 1,163 7,165 3,166 11,169 1,171 3,172 9,175 1,176 6,181 4,183 5,186 2,187 9,190 3,192 4,194 6,197 2,198 3,201 1,205 5,208 4,209 6,212 1,214 5,217 9,220 1,221 6,227 6,231 16,234 2,238 5,242 9,249 5,252 2845,253 25.591,254 25.591,255 25.591,256 25.591,257 25.591,258 23.607,259 38.982,260 14.917,261 26.467,262 20.06,263 20.06,264 20.06,265 20.06,266 20.06,267 16.87,268 60.276,269 6.858,270 21.389,271 4.618,272 2.598,273 1.329,274 0.815,275 0.788,276 0.76,277 4.351,279 1,283 1,284 1103,285 3.317,288 561.645,292 174.918,295 2.076,296 31.049,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 79.833,308 508,309 4.607,310 3.323,311 6.622,312 4.134,313 3.178,314 4.547,315 0.86,316 10.68,317 3.044,318 4.088,319 3.178,320 6.204,321 3.869,322 2.925,323 3.618,324 0.86,325 9.275,326 2.762,327 4.011,328 3.058,329 6.109,330 3.691,331 2.766,332 3.572,333 0.8,334 8.968,335 2.559,336 3.911,337 2.971,338 5.977,339 3.592,340 2.631,341 3.117,342 0.8,343 8.415,344 2.526,345 3.757,346 2.816,347 5.422,348 3.477,349 2.534,350 2.878,351 0.657,352 7.169,353 2.391,354 3.472,355 2.587,356 5.285,357 3.292,358 2.32,359 2.816,361 6.717,362 2.235,363 3.379,364 2.417,365 5.206,366 3.039,367 2.132,368 2.686,370 6.279,371 1.917,372 3.348,373 2.24,374 4.884,375 2.913,376 1.983,377 2.367,379 5.668,380 1.767,381 2.92,382 2.038,383 4.612,384 2.624,385 1.685,386 2.016,388 4.775,389 1.578,390 2.743,391 1.817,392 4.422,393 2.479,394 1.564,395 1.777,397 4.247,398 1.423,399 2.5,400 1.485,401 4.177,402 2.264,403 1.317,404 1.5,406 3.536,407 1.243,408 2.393,409 1.227,410 3.567,411 2.018,412 1.063,413 1.389,415 2.527,416 1.011,417 2.104,418 1.162,419 3.48,420 2,421 1,422 1.09,424 2.275,425 1,426 2.033,427 1.077,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 2,436 1.01,437 3.414,438 1.779,439 0.878,440 0.987,442 2.043,443 0.78,444 17.714,445 0.479,446 0.772,447 0.021,448 43,449 1.162,450 18,451 0.486,452 25,453 0.676,454 40.067,455 1.083,456 41.686,457 0.571,458 33.929,459 0.917,460 8.119,461 0.219,462 9.952,463 0.269,464 0.116,466 0.327,472 0.892,473 1.523,474 0.737,475 1.174,476 0.836,477 1.045,478 1.135,479 1.025,480 0.835,481 0.88,482 0.84,483 0.902,484 0.855,485 1.269,486 0.917,487 1.077,488 0.686,489 1.036,490 0.956,491 1.033,492 0.935,493 0.979,494 0.997,495 1.009,496 0.841,497 1.037,498 0.754,499 0.907,500 0.787,501 0.936,502 0.77,503 0.987,504 0.884,505 0.967,506 0.841,507 0.987,508 0.948,509 1.068,510 0.834,511 0.94,512 1.004,513 0.953,514 1.193,515 0.892,516 0.85,517 0.81,518 1.088,519 0.867,520 7.5,521 0.301,522 4.222,523 1.75,524 2.356,525 1.486,526 0.847,527 0.661,528 0.549,529 0.322,530 21489,531 52923,532 2.116,533 49.3,534 2,535 25,538 2,540 2,541 5,542 1.785,543 2,544 3.714,545 0.162,550 114.769,551 1.572,552 3.592,553 4.861,554 5.375,555 5.402,556 5.429,557 3.203,558 4.993,559 5.175,560 3.898,561 2595.88,562 9.133,563 42561.7,568 451.857,569 1.338,570 5.15,571 0.183,572 0.007,573 0.074,574 0.028,575 0.042,576 0.027,577 0.016,578 0.012,579 0.011,580 0.006,581 0.406,582 0.17,583 0.75,584 0.782,585 203.682,586 -0.04,587 -0.247,588 0.046,589 -0.082,590 -0.021,591 -0.01,592 -0.078,593 0.137,594 0.019,595 0.112,596 0.009,597 0.071,598 0.004,599 -0.178,600 -0.01,601 -0.081,602 0.065,603 -0.045,604 -0.018,605 0.016,606 -0.06,607 -0.045,608 -0.042,609 -0.054,610 0.025,611 -0.03,612 0.044,613 0.031,614 0.01,615 0.033,616 0.067,617 0.047,618 -0.013,619 -0.017,620 0.013,621 -0.016,622 -0.053,623 -0.05,624 0.006,625 0.004,626 -0.069,627 0.014,628 -0.094,629 0.139,630 0.016,631 0.105,632 -0.09,633 0.07,634 1.208,635 3.629,636 0.757,637 48.586,638 0.999,639 1.133,640 3.676,641 13.516,642 0.65,643 3.738,644 4.06,645 4.357,646 4.615,647 4.92,648 5.037,649 5.215,650 5.384,651 5.587,652 5.71,653 8.047,654 0.61,655 526.14,656 3.738,657 5.283,658 6.142,659 7.02,660 7.896,661 8.781,662 9.664,663 10.553,664 11.441,665 12.333,666 6.8,669 1,671 1,672 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 73,705 17,706 2,707 41,709 77,710 28,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 5,725 1,727 5,729 14,730 14,731 1,747 36,748 8,749 2,750 9,751 1,755 5,760 0.8,761 3,762 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 37,809 1,810 10,811 1,812 2,814 2,815 2,824 1,825 4.1,826 1,830 2,832 18.5,833 13.393,834 8.306,835 4.491,836 3.135,837 1.367,838 0.958,839 8.677,840 11.687,841 3.922,842 4.489,843 5.061,844 5.626,845 6.242,846 6.576,847 6.981,848 7.397,849 7.824,850 8.022,851 1,852 62,853 13.717,854 5.787,855 7.571,856 26.923,857 22.58,859 2.071,860 76.611,864 400.217,865 125.407,866 57.83,867 39.149,868 64.683,871 125.407,872 504.049,873 57.83,874 21.766,875 20.667,876 99.541,877 51.582,878 50.139,879 4.227,880 400.217,881 39.149,882 400.217,883 183.238,884 64.683,885 39.149,887 317.82,888 104.397,889 42.683,891 27.834,892 103.822,893 90.73,895 400.217,896 122.514,897 164.556,900 400.217,901 46.784,902 84.872,903 18.011,904 137.403,905 400.217,906 122.514,907 164.556,909 0.576,910 0.347,911 0.185,912 0.107,913 27,914 12,915 0.104,916 8,917 1,918 1.071,919 4.703,920 364.773,921 0.071,922 28,923 184.75,928 26.451,929 12.138,930 6.127,931 1.693,932 122.514,933 11.66,934 9.934,938 4.607,940 60.694,941 687.287,942 49.5,952 72.952,953 82.707,954 0.254,955 0.58,956 0.785,957 0.868,958 0.873,959 0.877,960 5.178,961 1.983,962 6.12,963 6.279,964 4.745,965 5.176,966 1.908,967 6.927,968 4.625,969 6.353,970 1.685,971 7.676,972 5.668,973 4.29,974 4.987,975 0.57,976 7.803,977 4.091,978 7.652,979 1.564,980 9.326,981 4.775,982 6.34,983 7.342,984 1.5,985 10.881,986 6.119,987 8.983,988 1.317,989 11.031,990 4.247,991 6.698,992 7.994,993 0.479,994 12.56,995 6.399,996 10.348,997 1.063,998 12.772,999 3.536,1000 8.194,1001 9.846,1002 1.2,1003 15.149,1004 7.876,1005 11.735,1006 1,1007 14.537,1008 2.527,1009 8.933,1010 10.91,1011 0.346,1012 17.177,1013 8.545,1014 13.139,1015 1,1016 16.32,1017 2.275,1018 10.2,1019 12.559,1020 0.957,1021 19.595,1022 9.787,1023 3.178,1024 0.878,1025 18.116,1026 2.275,1027 11.129,1028 13.84,1029 0.237,1030 21.785,1031 10.655,1032 2.925,1033 10.68,1034 19.922,1035 2.043,1036 12.3,1037 15.402,1038 0.756,1039 24.143,1040 11.794,1041 2.766,1042 9.275,1043 21.737,1044 4.547,1045 13.325,1046 16.797,1047 0.158,1048 26.41,1049 12.765,1050 2.631,1051 8.968,1052 23.559,1053 3.618,1054 14.459,1055 18.324,1056 0.591,1057 28.751,1058 13.865,1059 2.534,1060 8.415,1061 25.387,1062 3.572,1063 15.533,1064 19.777,1065 0.104,1066 31.058,1067 14.89,1068 2.32,1069 7.169,1070 27.221,1071 3.117,1072 16.657,1073 21.291,1074 0.456,1075 33.398,1076 15.976,1077 2.132,1078 6.717,1079 29.059,1080 2.878,1081 17.758,1082 22.774,1083 0.068,1084 35.725,1085 17.032,1086 20267,1087 32034,1088 27.739,1089 47.432,1090 60.469,1091 62.242,1092 62.999,1093 60.697,1094 60.603,1095 73.638,1096 7.955,1097 174.221,1098 56.741,1099 5.607,1100 5.323,1101 6.212,1102 5.21,1103 5.178,1104 7.547,1105 1.72,1106 17.69,1107 5.044,1108 17.266,1109 1.475,1110 1.518,1111 1.537,1112 1.48,1113 1.478,1114 1.796,1115 0.194,1116 4.249,1117 1.384,1118 4.095,1119 4.131,1120 4.072,1121 3.983,1122 6.456,1123 3.999,1124 3.925,1125 3.981,1126 3.981,1127 3.853,1128 5.088,1129 3.845,1130 3.903,1131 3.929,1132 3.815,1133 3.781,1134 4.936,1135 3.78,1136 3.742,1137 3.802,1138 3.624,1139 3.596,1140 4.763,1141 3.591,1142 3.513,1143 3.555,1144 3.483,1145 3.297,1146 4.499,1147 3.33,1148 3.32,1149 3.39,1150 3.372,1151 3.113,1152 4.383,1153 3.114,1154 3.278,1155 3.347,1156 3.144,1157 3.084,1158 4.363,1159 3.079,1160 3.239,1161 3.309,1162 3.082,1163 2.962,1164 4.164,1165 2.97,1166 0.112,1167 0.081,1168 0.162,1169 0.101,1170 0.078,1171 4.607,1172 0.111,1173 3.323,1174 0.021,1175 6.622,1176 0.26,1177 4.134,1178 0.074,1179 3.178,1180 4.547,1181 0.86,1182 10.68,1183 3.044,1184 2.009,1185 1.986,1186 2.102,1187 2.144,1188 1.486,1189 2.127,1190 1.9,1191 1.874,1192 2.054,1193 2.064,1194 1.343,1195 2.071,1196 1.89,1197 1.836,1198 1.994,1199 1.973,1200 1.196,1201 1.988,1202 1.734,1203 1.676,1204 1.953,1205 1.909,1206 1.127,1207 1.927,1208 1.412,1209 1.37,1210 1.613,1211 1.67,1212 0.905,1213 1.649,1214 1.293,1215 1.222,1216 1.6,1217 1.549,1218 0.825,1219 1.563,1220 1.227,1221 1.162,1222 1.576,1223 1.526,1224 0.699,1225 1.541,1226 1.188,1227 1.112,1228 1.513,1229 1.468,1230 0.674,1231 1.482,1232 4.419,1233 5.74,1235 7.268,1237 8.886,1239 10.553,1241 3.271,1242 6.064,1246 9.629,1247 9.297,1248 3.514,1249 11.107,1251 0.967,1252 4.868,1257 44.508,1258 114.769,1259 262.232,1260 354.838,1261 392.347,1262 394.347,1263 396.347,1264 63.035,1265 8.553,1266 82.98,1267 82.98,1268 30,1269 12.862,1270 4.17,1271 3.248,1272 56.55,1273 175,1274 197,1275 0.153,1276 273.263,1277 473.92,1278 658.522,1279 67468,1280 1.4,1281 25.777,1282 0.697,1283 0.605,1284 26.277,1285 22.376,1286 18.072,1287 0.441,1288 0.329,1289 12.912,1290 16.994,1291 12.57,1292 10.367,1293 18.36,1294 13.473,1295 15.803,1296 0.277,1297 0.183,1298 16.211,1299 10.417,1300 13.95,1301 0.181,1302 0.102,1303 14.238,1304 7.887,1305 11.391,1306 0.114,1307 0.056,1308 11.558,1309 5.643,1310 9.871,1311 0.073,1312 0.031,1313 10.107,1314 4.279,1315 0.242,1316 116.963,1317 0.19,1318 33.721,1319 0.42,1320 196,1321 530.737,1322 229.595,1323 533.518,1324 726.4,1325 504,1326 232,1327 509.074,1328 261.667,1329 526.164,1330 773.5,1331 493,1332 6.347}
{0 CHEMBL495737,1 1.555,2 14.342,3 5.083,4 25.834,5 154.675,6 7.107,7 0.405,8 4.42,9 4.545,10 3.948,11 3.915,12 5.409,13 3.884,14 5.013,15 5.207,16 4.308,17 4.337,18 5.926,19 4.276,20 5.296,21 5.524,22 4.423,23 4.531,24 6.152,25 4.435,26 5.407,27 5.66,28 4.351,29 4.543,30 6.258,31 4.423,32 5.416,33 5.681,34 4.305,35 4.527,36 6.211,37 4.398,38 5.381,39 5.644,40 4.281,41 4.507,42 6.19,43 4.372,44 5.353,45 5.618,46 4.258,47 4.456,48 6.179,49 4.335,50 5.287,51 5.54,52 4.238,53 4.408,54 6.143,55 4.306,56 0.04,57 1.105,58 17.417,59 7.071,60 11.539,61 9.806,62 0.421,63 1.808,64 34.713,65 11.898,66 35.668,67 16.83,68 0.466,69 2.275,70 48.266,71 15.678,72 41.862,73 23.151,74 0.695,75 2.432,76 54.491,77 16.962,78 61.981,79 25.3,80 0.677,81 2.403,82 53.726,83 17.157,84 59.684,85 25.856,86 0.683,87 2.339,88 53.377,89 16.822,90 55.304,91 25.246,92 0.645,93 2.241,94 52.716,95 15.636,96 57.045,97 23.718,98 0.692,99 2.106,100 48.466,101 14.423,102 59.084,103 21.4,104 26,105 58,106 0.24,107 0.547,108 0.75,109 0.841,110 0.845,111 0.849,112 3.668,113 0.998,114 -5.1,115 -5,116 -4.68,119 38.2,121 5,122 1,124 2,125 6,127 1,138 6,139 2,140 3,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 3,172 11,175 1,176 6,181 3,183 7,186 2,187 9,190 3,192 4,194 6,197 2,198 2,201 1,203 2,205 5,208 4,209 6,212 1,214 4,217 8,220 1,221 6,226 1,227 7,231 14,234 2,238 6,242 13,249 5,252 3128,253 26.298,254 26.298,255 26.298,256 26.298,257 26.298,258 24.314,259 38.982,260 15.403,261 27.183,262 20.56,263 20.56,264 20.56,265 20.56,266 20.56,267 17.37,268 57.42,269 7.085,270 21.897,271 4.693,272 2.708,273 1.398,274 0.809,275 0.783,276 0.757,277 4.376,279 1,283 1,284 1182,285 3.464,288 587.764,292 182.6,295 2.202,296 31.408,299 0.75,300 0.83,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.85,307 81.833,308 545,309 4.607,310 3.322,311 6.622,312 4.134,313 3.178,314 4.547,315 0.86,316 10.679,317 3.043,318 4.086,319 3.178,320 6.204,321 3.869,322 2.925,323 3.615,324 0.86,325 9.275,326 2.762,327 4.011,328 3.055,329 6.109,330 3.689,331 2.766,332 3.576,333 0.8,334 8.968,335 2.555,336 3.912,337 2.964,338 5.977,339 3.59,340 2.622,341 3.117,342 0.8,343 8.412,344 2.539,345 3.758,346 2.806,347 5.413,348 3.488,349 2.547,350 2.877,351 0.4,352 7.156,353 2.398,354 3.457,355 2.586,356 5.285,357 3.292,358 2.321,359 2.808,361 6.717,362 2.236,363 3.407,364 2.419,365 5.216,366 3.038,367 2.128,368 2.704,370 6.294,371 1.925,372 3.349,373 2.251,374 4.888,375 2.953,376 2.024,377 2.367,379 5.691,380 1.8,381 2.931,382 2.092,383 4.615,384 2.628,385 1.691,386 2.028,388 4.783,389 1.582,390 2.751,391 1.817,392 4.426,393 2.507,394 1.587,395 1.783,397 4.269,398 1.452,399 2.5,400 1.485,401 4.177,402 2.269,403 1.319,404 1.5,406 3.54,407 1.248,408 2.393,409 1.39,410 3.632,411 2.084,412 1.156,413 1.389,415 2.599,416 1.058,417 2.295,418 1.184,419 3.482,420 2.018,421 1.062,422 1.276,424 2.525,425 1.011,426 2.089,427 1.077,428 3.414,429 2,430 1,431 1.083,433 2.275,434 1,435 2,436 1.015,437 3.414,438 1.984,439 1,440 1,442 2.275,443 0.983,444 18.214,445 0.479,446 0.772,447 0.02,448 43.5,449 1.145,450 18,451 0.474,452 25.5,453 0.671,454 42.112,455 1.108,456 42.986,457 0.566,458 34.161,459 0.899,460 8.144,461 0.214,462 10.428,463 0.274,464 0.112,466 0.318,472 0.891,473 1.522,474 0.751,475 1.184,476 0.833,477 1.058,478 1.128,479 1.041,480 0.847,481 0.902,482 0.836,483 0.923,484 0.864,485 1.223,486 0.918,487 1.05,488 0.696,489 1.018,490 0.931,491 1.059,492 0.937,493 1.009,494 0.991,495 1.031,496 0.859,497 1.05,498 0.78,499 0.927,500 0.813,501 0.959,502 0.786,503 1.026,504 0.9,505 0.986,506 0.851,507 1.009,508 0.998,509 1.023,510 0.904,511 0.935,512 1.049,513 0.948,514 1.271,515 0.911,516 0.909,517 0.829,518 1.16,519 0.891,520 7.5,521 0.293,522 4.222,523 1.875,524 2.276,525 1.486,526 0.887,527 0.55,528 0.533,529 0.373,530 23554,531 57192,532 2.113,533 50,534 2,535 25,538 2,540 4,541 5,542 1.791,543 2,544 3.777,545 0.149,550 118.175,551 1.555,552 3.54,553 4.85,554 5.439,555 5.465,556 5.491,557 3.259,558 4.88,559 5.212,560 3.962,561 2785.44,562 9.208,563 47116.7,568 474.842,569 1.324,570 5.189,571 0.179,572 0.006,573 0.073,574 0.03,575 0.04,576 0.027,577 0.017,578 0.011,579 0.01,580 0.007,581 0.399,582 0.17,583 0.75,584 0.769,585 211.705,586 -0.034,587 -0.24,588 0.047,589 -0.08,590 -0.014,591 -0.009,592 -0.07,593 0.123,594 0.016,595 0.097,596 0.014,597 0.058,598 0.002,599 -0.134,600 -0.005,601 -0.054,602 0.058,603 -0.026,604 -0.004,605 -0.01,606 -0.06,607 -0.063,608 -0.037,609 -0.068,610 0.017,611 -0.039,612 0.022,613 0.009,614 -0.009,615 0.006,616 0.049,617 0.001,618 -0.026,619 -0.038,620 -0.007,621 -0.038,622 -0.051,623 -0.008,624 -0.013,626 -0.073,627 0.01,628 -0.139,629 0.12,630 -0.037,631 0.094,632 -0.138,633 0.05,634 1.206,635 3.639,636 0.737,637 52.543,638 0.998,639 1.133,640 3.869,641 14.971,642 0.647,643 3.761,644 4.078,645 4.369,646 4.625,647 4.92,648 5.03,649 5.198,650 5.352,651 5.545,652 5.673,653 8.384,654 0.606,655 540.17,656 3.761,657 5.303,658 6.159,659 7.034,660 7.907,661 8.789,662 9.67,663 10.556,664 11.441,665 12.331,666 6.6,669 1,671 1,672 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 76,705 17,706 2,707 42,709 80,710 29,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 5,725 1,727 6,729 14,730 15,731 1,747 38,748 8,749 2,750 9,751 1,755 5,760 0.8,761 3,762 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 38,809 1,810 11,811 1,812 2,814 2,815 2,824 1,825 3.9,826 1,830 2,832 19,833 13.893,834 8.556,835 4.741,836 3.115,837 1.363,838 0.956,839 9.232,840 11.703,841 3.942,842 4.5,843 5.067,844 5.63,845 6.236,846 6.557,847 6.941,848 7.328,849 7.72,850 7.877,851 0.9,852 63,853 14.096,854 5.929,855 7.556,856 27.739,857 23.247,859 2.056,860 78.111,864 423.76,865 127.942,866 57.83,867 39.149,868 64.683,871 127.942,872 527.591,873 57.83,874 21.766,875 23.201,876 99.541,877 51.582,878 50.139,879 4.227,880 423.76,881 39.149,882 423.76,883 185.772,884 64.683,885 39.149,887 317.82,888 127.94,889 42.683,891 30.369,892 103.822,893 90.73,895 423.76,896 122.514,897 167.091,900 423.76,901 49.318,902 84.872,903 18.011,904 137.403,905 423.76,906 122.514,907 167.091,909 0.574,910 0.346,911 0.185,912 0.106,913 27,914 12,915 0.113,916 9,917 1,918 1.071,919 4.815,920 373.963,921 0.071,922 28,923 189.421,928 27.413,929 12.798,930 6.54,931 1.728,932 122.514,933 11.822,934 9.964,938 4.793,940 60.694,941 713.364,942 50.5,952 75.836,953 86.122,954 0.249,955 0.567,956 0.776,957 0.87,958 0.875,959 0.879,960 5.194,961 2.024,962 6.133,963 6.294,964 4.762,965 5.187,966 1.824,967 6.934,968 4.645,969 6.365,970 1.691,971 7.685,972 5.691,973 4.29,974 4.987,975 0.57,976 7.803,977 4.091,978 7.661,979 1.587,980 9.332,981 4.783,982 6.351,983 7.346,984 1.426,985 10.882,986 6.133,987 8.99,988 1.319,989 11.035,990 4.269,991 6.698,992 7.994,993 0.479,994 12.56,995 6.401,996 10.352,997 1.156,998 12.775,999 3.54,1000 8.199,1001 9.847,1002 1.153,1003 15.149,1004 7.886,1005 11.738,1006 1.062,1007 14.539,1008 2.599,1009 8.933,1010 10.91,1011 0.346,1012 17.176,1013 8.548,1014 13.141,1015 1,1016 16.321,1017 2.525,1018 10.202,1019 12.559,1020 0.931,1021 19.594,1022 9.794,1023 3.178,1024 1,1025 18.116,1026 2.275,1027 11.128,1028 13.84,1029 0.237,1030 21.784,1031 10.658,1032 2.925,1033 10.679,1034 19.922,1035 2.275,1036 12.3,1037 15.402,1038 0.742,1039 24.142,1040 11.799,1041 2.766,1042 9.275,1043 21.737,1044 4.547,1045 13.324,1046 16.797,1047 0.158,1048 26.409,1049 12.768,1050 2.622,1051 8.968,1052 23.559,1053 3.615,1054 14.458,1055 18.324,1056 0.583,1057 28.75,1058 13.867,1059 2.547,1060 8.412,1061 25.387,1062 3.576,1063 15.531,1064 19.777,1065 0.104,1066 31.056,1067 14.892,1068 2.321,1069 7.156,1070 27.22,1071 3.117,1072 16.655,1073 21.291,1074 0.452,1075 33.396,1076 15.977,1077 2.128,1078 6.717,1079 29.058,1080 2.877,1081 17.755,1082 22.774,1083 0.068,1084 35.724,1085 17.032,1086 22214,1087 34833,1088 28.433,1089 49.194,1090 61.775,1091 63.509,1092 64.167,1093 61.937,1094 61.873,1095 74.912,1096 7.44,1097 176.738,1098 57.999,1099 5.607,1100 5.322,1101 6.212,1102 5.209,1103 5.178,1104 7.547,1105 1.72,1106 17.687,1107 5.043,1108 17.637,1109 1.471,1110 1.512,1111 1.528,1112 1.475,1113 1.473,1114 1.784,1115 0.177,1116 4.208,1117 1.381,1118 4.094,1119 4.13,1120 4.069,1121 3.982,1122 6.456,1123 3.997,1124 3.928,1125 3.981,1126 3.988,1127 3.867,1128 5.087,1129 3.858,1130 3.913,1131 3.942,1132 3.815,1133 3.78,1134 4.937,1135 3.78,1136 3.742,1137 3.802,1138 3.624,1139 3.596,1140 4.763,1141 3.591,1142 3.544,1143 3.596,1144 3.508,1145 3.35,1146 4.499,1147 3.365,1148 3.399,1149 3.459,1150 3.401,1151 3.209,1152 4.378,1153 3.221,1154 3.308,1155 3.375,1156 3.164,1157 3.1,1158 4.359,1159 3.092,1160 3.25,1161 3.316,1162 3.109,1163 2.974,1164 4.183,1165 2.985,1166 0.11,1167 0.079,1168 0.158,1169 0.098,1170 0.076,1171 4.607,1172 0.108,1173 3.322,1174 0.02,1175 6.622,1176 0.254,1177 4.134,1178 0.072,1179 3.178,1180 4.547,1181 0.86,1182 10.679,1183 3.043,1184 2.008,1185 1.984,1186 2.102,1187 2.144,1188 1.486,1189 2.127,1190 1.912,1191 1.887,1192 2.057,1193 2.064,1194 1.343,1195 2.07,1196 1.893,1197 1.836,1198 2.015,1199 1.987,1200 1.24,1201 2.005,1202 1.734,1203 1.676,1204 1.954,1205 1.91,1206 1.162,1207 1.927,1208 1.481,1209 1.425,1210 1.695,1211 1.709,1212 0.905,1213 1.705,1214 1.337,1215 1.285,1216 1.602,1217 1.585,1218 0.875,1219 1.588,1220 1.287,1221 1.218,1222 1.585,1223 1.541,1224 0.825,1225 1.558,1226 1.194,1227 1.12,1228 1.576,1229 1.524,1230 0.695,1231 1.54,1232 4.443,1233 5.759,1235 7.281,1237 8.896,1239 10.559,1241 3.283,1242 6.046,1246 9.639,1247 10.3,1248 3.552,1249 11.128,1251 0.974,1252 4.883,1257 46.034,1258 118.175,1259 269.007,1260 368.604,1261 413.333,1262 415.333,1263 417.333,1264 66.293,1265 8.588,1266 82.98,1267 82.98,1268 30,1269 12.861,1270 4.17,1271 3.248,1272 58.903,1273 187,1274 210,1275 0.149,1276 282.855,1277 491.22,1278 681.927,1279 71988,1280 1.3,1281 26.485,1282 0.697,1283 0.607,1284 26.985,1285 23.083,1286 18.572,1287 0.442,1288 0.333,1289 13.412,1290 17.491,1291 13.064,1292 10.773,1293 18.86,1294 13.973,1295 16.156,1296 0.279,1297 0.185,1298 16.564,1299 10.74,1300 14.191,1301 0.182,1302 0.104,1303 14.48,1304 8.133,1305 11.61,1306 0.115,1307 0.058,1308 11.777,1309 5.831,1310 9.967,1311 0.073,1312 0.032,1313 10.203,1314 4.39,1315 0.235,1316 119.963,1317 0.188,1318 34.605,1319 0.404,1320 200,1321 534.737,1322 233.595,1323 537.505,1324 732.08,1325 508,1326 236,1327 513.074,1328 265.501,1329 529.843,1330 778.38,1331 497,1332 7.215}
{0 CHEMBL495948,1 1.564,2 12.6,3 4.777,4 22.821,5 139.565,6 7.31,7 0.436,8 4.316,9 4.433,10 3.873,11 3.831,12 5.323,13 3.804,14 4.908,15 5.094,16 4.247,17 4.257,18 5.838,19 4.205,20 5.187,21 5.404,22 4.378,23 4.461,24 6.071,25 4.375,26 5.307,27 5.55,28 4.321,29 4.486,30 6.185,31 4.38,32 5.315,33 5.565,34 4.304,35 4.494,36 6.149,37 4.381,38 5.298,39 5.547,40 4.314,41 4.487,42 6.15,43 4.365,44 5.276,45 5.527,46 4.275,47 4.43,48 6.131,49 4.307,50 5.201,51 5.444,52 4.22,53 4.32,54 6.105,55 4.206,56 0.022,57 0.978,58 14.986,59 6.453,60 10.735,61 8.65,62 0.365,63 1.631,64 30.556,65 10.82,66 32.964,67 14.842,68 0.411,69 2.075,70 42.72,71 14.478,72 38.82,73 20.689,74 0.61,75 2.253,76 48.927,77 15.661,78 57.958,79 22.745,80 0.548,81 2.248,82 47.756,83 16.41,84 55.412,85 23.755,86 0.543,87 2.221,88 47.455,89 16.415,90 52.556,91 23.807,92 0.451,93 2.092,94 47.475,95 15.972,96 51.411,97 22.887,98 0.677,99 1.869,100 47.054,101 13.912,102 64.316,103 19.77,104 26,105 55,106 0.247,107 0.55,108 0.741,109 0.828,110 0.833,111 0.837,112 3.589,113 0.982,114 -4.65,115 -4.57,116 -4.29,119 39.7,121 4,122 1,124 2,125 5,127 1,138 6,139 2,140 3,142 2,146 1,163 7,165 3,166 12,171 1,172 10,175 1,176 8,181 1,183 8,186 2,187 12,190 1,192 1,194 10,197 2,198 6,205 6,208 4,209 10,214 2,217 9,220 1,221 5,227 7,231 13,234 1,238 5,242 8,252 2322,253 24.229,254 24.229,255 24.229,256 24.229,257 24.229,258 22.308,259 29.269,260 14.034,261 25.047,262 19.071,263 19.071,264 19.071,265 19.071,266 19.071,267 15.986,268 41.928,269 6.425,270 20.304,271 4.524,272 2.606,273 1.397,274 0.846,275 0.816,276 0.787,277 4.298,279 1,283 1,284 961,285 3,288 509.111,292 159.814,295 1.886,296 29.284,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 75.333,308 441,309 4.65,310 3.332,311 6.759,312 4.195,313 3.228,314 4.588,315 0.86,316 11.131,317 3.128,318 4.15,319 3.178,320 6.204,321 3.87,322 2.926,323 3.745,324 0.86,325 9.275,326 2.763,327 4.012,328 3.069,329 6.142,330 3.739,331 2.795,332 3.487,333 0.8,334 9.049,335 2.647,336 3.882,337 2.955,338 6.062,339 3.632,340 2.696,341 3.117,342 0.8,343 8.787,344 2.513,345 3.737,346 2.803,347 5.675,348 3.373,349 2.428,350 2.921,352 7.464,353 2.305,354 3.531,355 2.424,356 5.285,357 3.276,358 2.316,359 2.862,361 6.716,362 2.194,363 3.35,364 2.337,365 5.055,366 3.059,367 2.144,368 2.392,370 6.068,371 1.903,372 3.128,373 2.195,374 4.754,375 2.686,376 1.748,377 2.352,379 5.09,380 1.619,381 2.826,382 1.818,383 4.526,384 2.59,385 1.65,386 1.875,388 4.584,389 1.54,390 2.627,391 1.549,392 4.263,393 2.289,394 1.341,395 1.661,397 3.697,398 1.266,399 2.5,400 1.482,401 4.173,402 2.192,403 1.287,404 1.5,406 3.444,407 1.144,408 2.393,409 1.183,410 3.484,411 2.018,412 1.062,413 1.389,415 2.526,416 1.011,417 2.09,418 1.077,419 3.414,420 2,421 1,422 1.083,424 2.275,425 1,426 2,427 1.013,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.852,436 1,437 3.382,438 1.51,439 0.607,440 0.735,442 1.315,443 0.54,444 16.814,445 0.48,446 0.756,447 0.022,448 41,449 1.171,450 17.5,451 0.5,452 23.5,453 0.671,454 37.443,455 1.07,456 38.986,457 0.573,458 32.051,459 0.916,460 7.67,461 0.219,462 9.419,463 0.269,464 0.122,466 0.345,472 0.859,473 1.476,474 0.714,475 1.15,476 0.82,477 1.026,478 1.139,479 1.009,480 0.812,481 0.849,482 0.833,483 0.872,484 0.845,485 1.191,486 0.896,487 1.017,488 0.662,489 0.987,490 0.954,491 1.011,492 0.907,493 0.938,494 0.984,495 0.967,496 0.836,497 1.014,498 0.734,499 0.894,500 0.776,501 0.922,502 0.661,503 1.019,504 0.764,505 0.98,506 0.731,507 0.994,508 0.896,509 1.075,510 0.815,511 0.971,512 0.96,513 0.977,514 1.276,515 0.958,516 1.021,517 0.932,518 1.203,519 0.973,520 7,521 0.215,522 4.222,523 1.875,524 2.276,525 1.667,526 1.047,527 0.599,528 0.496,529 0.367,530 17847,531 43987,532 2.123,533 48.5,534 2,535 23,538 1,540 2,541 5,542 1.771,543 2,544 3.599,545 -0.373,550 106.346,551 1.564,552 3.481,553 4.69,554 5.242,555 5.271,556 5.301,557 3.047,558 4.686,559 5.096,560 3.783,561 2250.98,562 8.972,563 34595,568 413.947,569 1.366,570 5.067,571 0.179,572 0.006,573 0.077,574 0.031,575 0.04,576 0.029,577 0.019,578 0.012,579 0.011,580 0.009,581 0.414,582 0.17,583 0.75,584 0.808,585 188.024,586 -0.028,587 -0.239,588 0.048,589 -0.08,590 -0.018,591 -0.01,592 -0.092,593 0.139,594 0.028,595 0.132,596 0.004,597 0.091,598 0.006,599 -0.103,600 0.003,601 -0.029,602 0.079,603 -0.003,604 -0.04,605 0.045,606 -0.044,607 0.004,608 -0.038,609 -0.008,611 0.007,612 0.044,613 0.054,614 0.008,615 0.052,616 0.092,617 0.015,618 0.046,619 -0.021,620 0.058,621 -0.011,622 -0.012,623 -0.076,624 0.053,625 -0.01,626 -0.032,627 0.002,628 -0.091,629 0.04,630 -0.024,631 0.015,632 -0.129,633 -0.024,634 1.206,635 3.614,636 0.8,637 41.306,638 1,639 1.129,640 3.417,641 11.678,642 0.657,643 3.689,644 4.025,645 4.344,646 4.625,647 4.949,648 5.1,649 5.308,650 5.481,651 5.659,652 5.778,653 7.462,654 0.617,655 497.09,656 3.689,657 5.242,658 6.111,659 7,660 7.889,661 8.785,662 9.682,663 10.583,664 11.484,665 12.388,666 5.9,669 1,672 1,676 2,680 2,681 6,682 2,686 6,688 17,699 1,701 2,702 1,703 68,705 17,706 2,707 39,709 72,710 27,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 5,725 1,727 5,729 14,730 13,731 1,747 33,748 7,749 1,750 8,751 1,755 4,760 0.8,761 3,762 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 35,809 1,810 9,812 2,814 2,815 2,824 1,825 4.4,826 1,830 2,832 17.5,833 12.643,834 7.833,835 4.241,836 3.175,837 1.375,838 0.96,839 7.634,840 11.654,841 3.882,842 4.466,843 5.074,844 5.684,845 6.344,846 6.766,847 7.267,848 7.737,849 8.161,850 8.427,851 1,852 61,853 12.978,854 5.517,855 7.575,856 25.474,857 21.542,859 2.075,860 72.611,864 376.675,865 123.731,866 39.82,867 39.149,868 64.683,871 123.731,872 480.507,873 39.82,874 21.766,875 18.561,876 99.541,877 33.571,878 52.895,879 1.899,880 376.675,881 39.149,882 376.675,883 163.55,884 64.683,885 39.149,887 294.278,888 104.397,889 42.683,891 28.485,892 101.494,893 72.72,895 376.675,896 104.503,897 162.879,900 376.675,901 45.107,902 84.872,904 137.403,905 376.675,906 104.503,907 162.879,909 0.578,910 0.353,911 0.191,912 0.112,913 27,914 12,915 0.083,916 6,917 1,918 1.071,919 4.47,920 347.205,921 0.071,922 28,923 171.525,928 24.572,929 10.873,930 5.216,931 1.73,932 104.503,933 11.621,934 10.003,938 4.555,940 42.683,941 644.057,942 47.5,952 67.967,953 76.793,954 0.257,955 0.572,956 0.77,957 0.861,958 0.866,959 0.871,960 5.143,961 1.748,962 6.098,963 6.068,964 4.71,965 5.153,966 1.771,967 6.929,968 4.595,969 6.329,970 1.65,971 7.668,972 5.09,973 4.29,974 4.987,975 0.57,976 7.854,977 4.1,978 7.636,979 1.341,980 9.334,981 4.584,982 6.326,983 7.344,984 1.413,985 10.952,986 6.119,987 8.977,988 1.287,989 11.057,990 3.697,991 6.723,992 8.024,993 0.479,994 12.682,995 6.447,996 10.352,997 1.062,998 12.815,999 3.444,1000 8.211,1001 9.878,1002 1.15,1003 15.299,1004 7.92,1005 11.75,1006 1,1007 14.598,1008 2.526,1009 8.985,1010 10.968,1011 0.346,1012 17.376,1013 8.638,1014 13.166,1015 1,1016 16.399,1017 2.275,1018 10.252,1019 12.62,1020 0.93,1021 19.827,1022 9.886,1023 3.228,1024 0.607,1025 18.212,1026 2.275,1027 11.21,1028 13.922,1029 0.237,1030 22.065,1031 10.799,1032 2.926,1033 11.131,1034 20.037,1035 1.315,1036 12.388,1037 15.488,1038 0.742,1039 24.462,1040 11.954,1041 2.795,1042 9.275,1043 21.87,1044 4.588,1045 13.437,1046 16.9,1047 0.158,1048 26.777,1049 12.967,1050 2.696,1051 9.049,1052 23.711,1053 3.745,1054 14.584,1055 18.433,1056 0.583,1057 29.161,1058 14.088,1059 2.428,1060 8.787,1061 25.557,1062 3.487,1063 15.678,1064 19.899,1065 0.104,1066 31.515,1067 15.151,1068 2.316,1069 7.464,1070 27.41,1071 3.117,1072 16.817,1073 21.42,1074 0.452,1075 33.9,1076 16.264,1077 2.144,1078 6.716,1079 29.267,1080 2.921,1081 17.936,1082 22.913,1083 0.068,1084 36.276,1085 17.355,1086 16838,1087 26662,1088 26.353,1089 44.665,1090 57.968,1091 59.645,1092 60.684,1093 58.168,1094 58.066,1095 71.095,1096 6.64,1097 169.673,1098 54.486,1099 5.65,1100 5.332,1101 6.348,1102 5.269,1103 5.228,1104 7.588,1105 1.72,1106 18.367,1107 5.128,1108 16.504,1109 1.486,1110 1.529,1111 1.556,1112 1.491,1113 1.489,1114 1.823,1115 0.17,1116 4.351,1117 1.397,1118 4.113,1119 4.143,1120 4.104,1121 4.025,1122 6.456,1123 4.035,1124 3.927,1125 3.984,1126 3.934,1127 3.788,1128 5.096,1129 3.785,1130 3.841,1131 3.862,1132 3.815,1133 3.778,1134 4.919,1135 3.776,1136 3.742,1137 3.801,1138 3.623,1139 3.596,1140 4.752,1141 3.591,1142 3.468,1143 3.507,1144 3.459,1145 3.262,1146 4.498,1147 3.293,1148 3.31,1149 3.377,1150 3.263,1151 3.102,1152 4.378,1153 3.094,1154 3.252,1155 3.317,1156 3.128,1157 2.987,1158 4.302,1159 2.997,1160 3.156,1161 3.241,1162 3.057,1163 2.941,1164 4.16,1165 2.928,1166 0.119,1167 0.085,1168 0.173,1169 0.108,1170 0.083,1171 4.65,1172 0.118,1173 3.332,1174 0.022,1175 6.759,1176 0.285,1177 4.195,1178 0.08,1179 3.228,1180 4.588,1181 0.86,1182 11.131,1183 3.128,1184 2.042,1185 2.022,1186 2.108,1187 2.151,1188 1.486,1189 2.137,1190 1.896,1191 1.839,1192 2.075,1193 2.066,1194 1.344,1195 2.075,1196 1.827,1197 1.807,1198 1.962,1199 1.918,1200 1.224,1201 1.936,1202 1.734,1203 1.676,1204 1.908,1205 1.9,1206 1.016,1207 1.91,1208 1.365,1209 1.328,1210 1.602,1211 1.625,1212 0.905,1213 1.608,1214 1.289,1215 1.219,1216 1.589,1217 1.544,1218 0.825,1219 1.56,1220 1.194,1221 1.121,1222 1.576,1223 1.524,1224 0.694,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.387,1230 0.591,1231 1.429,1232 4.369,1233 5.7,1235 7.244,1237 8.879,1239 10.563,1241 3.273,1242 6.158,1246 9.614,1247 8.707,1249 11.104,1251 0.973,1252 4.874,1257 41.959,1258 106.346,1259 236.716,1260 318.928,1261 356.438,1262 358.438,1263 360.438,1264 58.189,1265 8.478,1266 70.95,1267 70.95,1268 30,1269 12.908,1270 4.17,1271 3.248,1272 52.049,1273 154,1274 179,1275 0.163,1276 256.876,1277 445.62,1278 618.538,1279 58985,1280 1.5,1281 24.363,1282 0.696,1283 0.605,1284 24.863,1285 21.169,1286 17.088,1287 0.438,1288 0.327,1289 12.225,1290 16.077,1291 11.894,1292 9.798,1293 17.377,1294 12.766,1295 15.023,1296 0.273,1297 0.181,1298 15.431,1299 9.944,1300 13.448,1301 0.177,1302 0.1,1303 13.737,1304 7.631,1305 11.156,1306 0.11,1307 0.055,1308 11.322,1309 5.548,1310 9.745,1311 0.07,1312 0.03,1313 9.959,1314 4.211,1315 0.254,1316 110.61,1317 0.195,1318 31.971,1319 0.451,1320 188,1321 508.405,1322 219.819,1323 512.351,1324 699.36,1325 484,1326 225,1327 491.384,1328 252.836,1329 508.605,1330 750.78,1331 477,1332 6}
{0 CHEMBL496151,1 1.61,2 12.429,3 4.853,4 23.555,5 138.66,6 7.434,7 0.436,8 4.31,9 4.43,10 3.878,11 3.803,12 5.333,13 3.785,14 4.893,15 5.077,16 4.259,17 4.22,18 5.86,19 4.179,20 5.173,21 5.388,22 4.363,23 4.404,24 6.108,25 4.329,26 5.254,27 5.499,28 4.282,29 4.412,30 6.134,31 4.312,32 5.265,33 5.516,34 4.27,35 4.405,36 6.136,37 4.305,38 5.232,39 5.478,40 4.255,41 4.404,42 6.117,43 4.297,44 5.212,45 5.466,46 4.245,47 4.358,48 6.098,49 4.255,50 5.122,51 5.359,52 4.227,53 4.297,54 6.021,55 4.21,56 0.045,57 0.99,58 14.588,59 6.07,60 12.017,61 8.201,62 0.395,63 1.616,64 29.686,65 10.216,66 31.992,67 14.079,68 0.577,69 2.018,70 42.368,71 13.236,72 49.928,73 19.123,74 0.604,75 2.133,76 46.375,77 14.376,78 54.335,79 21.114,80 0.713,81 2.104,82 46.156,83 14.553,84 61.456,85 21.524,86 0.642,87 2.082,88 44.569,89 14.505,90 54.366,91 21.256,92 0.616,93 2.005,94 44.261,95 13.591,96 56.68,97 20.302,98 0.522,99 1.821,100 40.49,101 12.423,102 46.725,103 17.828,104 21,105 55,106 0.255,107 0.571,108 0.741,109 0.83,110 0.834,111 0.839,112 3.589,113 0.965,114 -4.51,115 -4.44,116 -4.18,119 38.8,121 4,124 2,125 4,127 2,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 10,169 1,171 4,172 6,175 1,176 6,179 1,181 4,183 5,186 2,187 10,190 2,192 1,194 4,197 2,198 3,201 1,203 3,205 6,208 4,209 5,212 1,214 2,217 8,220 1,221 8,224 1,227 5,231 10,234 1,238 5,242 9,245 2,249 5,252 2351,253 24.013,254 24.013,255 24.013,256 24.013,257 24.013,258 22.03,259 38.066,260 13.969,261 24.913,262 19.15,263 19.15,264 19.15,265 19.15,266 19.15,267 15.986,268 60.412,269 6.513,270 20.529,271 4.456,272 2.464,273 1.388,274 0.829,275 0.799,276 0.769,277 4.297,279 1,283 1,284 949,285 3,288 516.123,292 160.789,295 1.902,296 31.223,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 75.833,308 435,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.183,320 6.2,321 3.86,322 2.92,323 3.642,324 0.86,325 9.256,326 2.744,327 4.011,328 3.068,329 6.107,330 3.691,331 2.766,332 3.551,333 0.8,334 8.958,335 2.557,336 3.898,337 2.96,338 5.984,339 3.592,340 2.653,341 3.117,342 0.8,343 8.465,344 2.479,345 3.748,346 2.82,347 5.482,348 3.428,349 2.491,350 2.876,351 0.4,352 7.285,353 2.326,354 3.496,355 2.493,356 5.149,357 3.197,358 2.244,359 2.837,361 6.202,362 2.13,363 3.304,364 2.446,365 5.055,366 3.04,367 2.136,368 2.611,370 6.104,371 1.906,372 3.27,373 2.224,374 4.855,375 2.823,376 1.893,377 2.291,379 5.526,380 1.697,381 2.887,382 1.904,383 4.58,384 2.581,385 1.651,386 1.974,388 4.685,389 1.529,390 2.712,391 1.807,392 4.387,393 2.419,394 1.513,395 1.743,397 4.124,398 1.361,399 2.5,400 1.459,401 4.141,402 2.232,403 1.286,404 1.5,406 3.465,407 1.211,408 2.351,409 1.18,410 3.499,411 2.018,412 1.062,413 1.346,415 2.51,416 1.011,417 2.09,418 1.077,419 3.465,420 2,421 1,422 1.083,424 2.275,425 1,426 2,427 1.036,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.918,436 1,437 3.414,438 1.611,439 0.715,440 0.834,442 1.614,443 0.633,444 16.714,445 0.478,446 0.81,447 0.023,448 42,449 1.2,450 18,451 0.514,452 24,453 0.686,454 36.143,455 1.033,456 39.086,457 0.583,458 33.001,459 0.943,460 7.938,461 0.227,462 9.095,463 0.26,464 0.123,466 0.347,472 0.897,473 1.523,474 0.708,475 1.153,476 0.853,477 1.015,478 1.111,479 1.07,480 0.797,481 0.892,482 0.798,483 0.889,484 1,485 1.198,486 0.941,487 1.001,488 0.967,489 0.989,490 0.903,491 1.049,492 0.906,493 0.987,494 0.86,495 0.998,496 0.879,497 1.004,498 0.739,499 0.88,500 0.879,501 0.91,502 0.782,503 1.021,504 0.821,505 0.955,506 0.909,507 0.983,508 0.857,509 1.022,510 0.78,511 0.895,512 0.896,513 0.921,514 1.176,515 0.949,516 0.901,517 0.875,518 0.847,519 0.921,520 7.5,521 0.33,522 4,523 1.875,524 2.316,525 1.368,526 1.007,527 0.67,528 0.463,529 0.332,530 18119,531 45985,532 2.123,533 47.8,535 22,538 2,540 4,541 4,542 1.772,543 2,544 3.59,545 0.191,550 107.852,551 1.61,552 3.603,553 4.678,554 5.238,555 5.267,556 5.297,557 3.065,558 4.901,559 5.095,560 3.783,561 2251.17,562 8.976,563 34900,568 406.428,569 1.366,570 5.067,571 0.192,572 0.009,573 0.073,574 0.032,575 0.043,576 0.025,577 0.019,578 0.013,579 0.009,580 0.007,581 0.423,582 0.17,583 0.75,584 0.74,585 188.298,586 -0.052,587 -0.263,588 0.045,589 -0.087,590 -0.049,591 -0.011,592 -0.065,593 0.084,594 0.038,595 0.087,596 0.044,597 0.068,598 -0.026,599 -0.114,600 -0.03,601 -0.03,602 0.011,603 -0.024,604 -0.027,605 0.002,606 -0.041,607 -0.046,608 -0.024,609 -0.038,610 0.027,611 0.008,612 0.052,613 0.055,614 0.007,615 0.054,616 0.049,617 0.017,618 -0.001,619 -0.005,620 -0.011,621 -0.011,622 0.007,623 0.007,624 0.053,625 0.038,626 -0.023,627 0.041,628 -0.145,629 0.1,630 -0.006,631 0.065,632 -0.094,633 0.029,634 1.529,635 4.082,636 0.8,637 42.062,638 1.003,639 1.132,640 3.283,641 10.776,642 0.655,643 3.689,644 4.025,645 4.317,646 4.595,647 4.905,648 5.03,649 5.226,650 5.416,651 5.606,652 5.714,653 7.497,654 0.619,655 498.08,656 3.689,657 5.242,658 6.103,659 6.987,660 7.866,661 8.757,662 9.643,663 10.538,664 11.43,665 12.327,666 7.5,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 67,705 17,706 2,707 39,709 71,710 26,711 14,712 6,713 6,717 5,718 6,719 1,724 6,727 6,729 14,730 12,747 32,748 8,749 2,750 9,751 1,755 5,760 0.8,761 3,763 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 35,809 1,810 8,811 1,812 2,814 2,815 2,824 1,825 4.5,826 1,830 2,832 17.5,833 12.393,834 7.722,835 4.104,836 3.162,837 1.375,838 0.959,839 7.605,840 11.596,841 3.882,842 4.466,843 5.042,844 5.63,845 6.262,846 6.627,847 7.073,848 7.536,849 7.975,850 8.196,851 1,852 59,853 12.97,854 5.523,855 7.603,856 25.29,857 21.235,859 2.103,860 73.611,864 353.133,865 122.873,866 57.83,867 39.149,868 64.683,871 122.873,872 456.965,873 57.83,874 21.766,875 18.561,876 99.541,877 33.571,878 67.72,879 4.227,880 353.133,881 39.149,882 353.133,883 180.703,884 64.683,885 39.149,887 258.964,888 116.169,889 42.683,891 43.739,892 103.393,893 72.72,895 353.133,896 122.514,897 162.022,900 353.133,901 44.249,902 84.872,903 18.011,904 137.403,905 353.133,906 122.514,907 162.022,909 0.581,910 0.345,911 0.187,912 0.109,913 27,914 12,915 0.085,916 6,917 1,918 1.071,919 4.511,920 343.777,921 0.071,922 28,923 171.525,928 24.535,929 10.849,930 5.495,931 1.629,932 122.514,933 11.35,934 9.857,938 4.217,940 60.694,941 637.668,942 47.5,952 67.185,953 75.877,954 0.265,955 0.594,956 0.771,957 0.863,958 0.868,959 0.873,960 5.143,961 1.893,962 6.089,963 6.104,964 4.71,965 5.153,966 1.824,967 6.903,968 4.579,969 6.329,970 1.651,971 7.648,972 5.526,973 4.29,974 4.987,975 0.57,976 7.781,977 4.06,978 7.632,979 1.513,980 9.302,981 4.685,982 6.312,983 7.331,984 1.426,985 10.868,986 6.068,987 8.967,988 1.286,989 11.01,990 4.124,991 6.686,992 7.991,993 0.479,994 12.546,995 6.349,996 10.334,997 1.062,998 12.753,999 3.465,1000 8.173,1001 9.843,1002 1.153,1003 15.147,1004 7.823,1005 11.723,1006 1,1007 14.52,1008 2.51,1009 8.921,1010 10.91,1011 0.346,1012 17.176,1013 8.493,1014 13.13,1015 1,1016 16.304,1017 2.275,1018 10.187,1019 12.56,1020 0.931,1021 19.602,1022 9.737,1023 3.184,1024 0.715,1025 18.102,1026 2.275,1027 11.122,1028 13.843,1029 0.237,1030 21.793,1031 10.607,1032 2.92,1033 10.706,1034 19.911,1035 1.614,1036 12.294,1037 15.406,1038 0.742,1039 24.156,1040 11.751,1041 2.766,1042 9.256,1043 21.728,1044 4.549,1045 13.324,1046 16.802,1047 0.158,1048 26.426,1049 12.726,1050 2.653,1051 8.958,1052 23.552,1053 3.642,1054 14.461,1055 18.33,1056 0.583,1057 28.771,1058 13.829,1059 2.491,1060 8.465,1061 25.382,1062 3.551,1063 15.538,1064 19.784,1065 0.104,1066 31.08,1067 14.86,1068 2.244,1069 7.285,1070 27.218,1071 3.117,1072 16.664,1073 21.298,1074 0.452,1075 33.423,1076 15.95,1077 2.136,1078 6.202,1079 29.058,1080 2.876,1081 17.768,1082 22.782,1083 0.068,1084 35.754,1085 17.01,1086 17028,1087 27347,1088 26.353,1089 43.909,1090 58.309,1091 59.257,1092 60.354,1093 58.252,1094 58.14,1095 71.179,1096 7.44,1097 168.766,1098 54.159,1099 5.611,1100 5.327,1101 6.18,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 16.486,1109 1.495,1110 1.519,1111 1.548,1112 1.494,1113 1.491,1114 1.825,1115 0.191,1116 4.327,1117 1.389,1118 4.097,1119 4.131,1120 4.079,1121 3.986,1122 6.449,1123 4.002,1124 3.913,1125 3.97,1126 3.966,1127 3.82,1128 5.094,1129 3.814,1130 3.878,1131 3.903,1132 3.805,1133 3.761,1134 4.936,1135 3.762,1136 3.723,1137 3.783,1138 3.607,1139 3.565,1140 4.762,1141 3.562,1142 3.488,1143 3.526,1144 3.458,1145 3.271,1146 4.5,1147 3.306,1148 3.255,1149 3.319,1150 3.318,1151 2.992,1152 4.393,1153 3.008,1154 3.175,1155 3.252,1156 3.075,1157 2.945,1158 4.341,1159 2.937,1160 3.144,1161 3.222,1162 3.024,1163 2.941,1164 4.129,1165 2.926,1166 0.118,1167 0.085,1168 0.17,1169 0.106,1170 0.082,1171 4.611,1172 0.117,1173 3.327,1174 0.022,1175 6.628,1176 0.275,1177 4.14,1178 0.078,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.091,1187 2.145,1188 1.459,1189 2.126,1190 1.879,1191 1.842,1192 2.044,1193 2.056,1194 1.304,1195 2.06,1196 1.861,1197 1.818,1198 1.954,1199 1.946,1200 1.181,1201 1.957,1202 1.708,1203 1.648,1204 1.932,1205 1.894,1206 1.048,1207 1.909,1208 1.381,1209 1.343,1210 1.599,1211 1.644,1212 0.825,1213 1.624,1214 1.196,1215 1.123,1216 1.576,1217 1.525,1218 0.777,1219 1.54,1220 1.153,1221 1.071,1222 1.513,1223 1.405,1224 0.681,1225 1.429,1226 1.145,1227 1.064,1228 1.479,1229 1.387,1230 0.594,1231 1.427,1232 4.369,1233 5.7,1235 7.235,1237 8.86,1239 10.532,1241 3.248,1242 6.077,1246 10.082,1247 7.643,1248 3.439,1249 11.061,1251 0.303,1252 4.706,1257 41.454,1258 107.852,1259 241.369,1260 313.408,1261 350.918,1262 352.918,1263 354.918,1264 58.17,1265 8.434,1266 82.98,1267 82.98,1268 30,1269 12.852,1270 4.17,1271 3.248,1272 51.98,1273 155,1274 162,1275 0.161,1276 254.078,1277 439.32,1278 611.711,1279 56641,1280 1.5,1281 24.363,1282 0.696,1283 0.599,1284 24.863,1285 20.962,1286 17.034,1287 0.437,1288 0.322,1289 11.996,1290 15.971,1291 11.69,1292 9.624,1293 17.322,1294 12.55,1295 15.292,1296 0.278,1297 0.176,1298 15.7,1299 9.674,1300 13.216,1301 0.179,1302 0.098,1303 13.505,1304 7.24,1305 11.034,1306 0.113,1307 0.053,1308 11.2,1309 5.222,1310 9.567,1311 0.071,1312 0.029,1313 9.803,1314 3.913,1315 0.252,1316 110.559,1317 0.195,1318 32.049,1319 0.446,1320 188,1321 522.737,1322 222.593,1323 526.156,1324 717.86,1325 496,1326 223,1327 509.395,1328 253.221,1329 524.31,1330 771.34,1331 492,1332 7.195}
{0 CHEMBL496152,1 1.59,2 13.167,3 5.262,4 27.687,5 143.411,6 7.316,7 0.425,8 4.348,9 4.469,10 3.908,11 3.834,12 5.35,13 3.815,14 4.94,15 5.129,16 4.277,17 4.243,18 5.874,19 4.202,20 5.19,21 5.402,22 4.39,23 4.436,24 6.084,25 4.361,26 5.298,27 5.54,28 4.32,29 4.467,30 6.15,31 4.362,32 5.349,33 5.611,34 4.306,35 4.468,36 6.162,37 4.358,38 5.291,39 5.539,40 4.291,41 4.465,42 6.124,43 4.351,44 5.285,45 5.543,46 4.284,47 4.429,48 6.12,49 4.316,50 5.217,51 5.464,52 4.255,53 4.367,54 6.075,55 4.264,56 0.015,57 1.025,58 15.498,59 6.392,60 11.089,61 8.73,62 0.445,63 1.658,64 32.008,65 10.63,66 33.931,67 14.7,68 0.547,69 2.067,70 43.114,71 13.553,72 42.215,73 19.669,74 0.564,75 2.241,76 48.17,77 15.215,78 49.425,79 22.412,80 0.748,81 2.259,82 50.782,83 15.764,84 58.122,85 23.632,86 0.628,87 2.201,88 47.268,89 15.576,90 48.715,91 22.908,92 0.607,93 2.146,94 47.692,95 14.889,96 50.667,97 22.326,98 0.512,99 1.972,100 44.885,101 13.92,102 48.267,103 20.245,104 26,105 56,106 0.25,107 0.545,108 0.725,109 0.828,110 0.832,111 0.837,112 3.616,113 0.97,114 -4.71,115 -4.63,116 -4.35,119 38.6,121 4,124 3,125 4,127 2,138 6,139 1,140 4,142 1,143 1,146 1,163 4,165 3,166 11,169 1,171 3,172 6,175 2,176 7,181 3,183 5,186 2,187 10,190 2,192 1,194 4,197 2,198 5,201 1,203 1,205 6,208 4,209 5,212 1,214 2,217 8,220 2,221 8,227 5,231 10,234 1,238 5,241 2,242 9,249 5,252 2576,253 24.884,254 24.884,255 24.884,256 24.884,257 24.884,258 22.9,259 40.223,260 14.471,261 25.921,262 19.577,263 19.577,264 19.577,265 19.577,266 19.577,267 16.413,268 63.698,269 6.659,270 21.065,271 4.539,272 2.659,273 1.515,274 0.861,275 0.832,276 0.804,277 4.325,279 1,283 1,284 1031,285 3.162,288 535.445,292 167.325,295 1.944,296 28.009,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 77.833,308 474,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.194,320 6.204,321 3.865,322 2.925,323 3.642,324 0.86,325 9.275,326 2.747,327 4.012,328 3.079,329 6.11,330 3.694,331 2.771,332 3.551,333 0.86,334 8.972,335 2.559,336 3.904,337 2.962,338 5.985,339 3.595,340 2.656,341 3.117,342 0.8,343 8.468,344 2.482,345 3.754,346 2.829,347 5.482,348 3.435,349 2.497,350 2.883,351 0.8,352 7.285,353 2.333,354 3.496,355 2.663,356 5.285,357 3.257,358 2.319,359 2.84,360 0.4,361 6.716,362 2.169,363 3.351,364 2.457,365 5.148,366 3.041,367 2.137,368 2.611,370 6.2,371 1.906,372 3.301,373 2.224,374 4.856,375 2.823,376 1.893,377 2.367,379 5.527,380 1.697,381 2.897,382 1.904,383 4.596,384 2.607,385 1.677,386 1.985,388 4.738,389 1.551,390 2.728,391 1.851,392 4.405,393 2.429,394 1.523,395 1.763,397 4.165,398 1.371,399 2.5,400 1.505,401 4.177,402 2.255,403 1.316,404 1.5,406 3.53,407 1.229,408 2.393,409 1.193,410 3.504,411 2.018,412 1.063,413 1.389,415 2.527,416 1.011,417 2.093,418 1.077,419 3.471,420 2,421 1,422 1.086,424 2.275,425 1,426 2,427 1.036,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.918,436 1,437 3.414,438 1.611,439 0.715,440 0.834,442 1.614,443 0.633,444 17.214,445 0.478,446 0.772,447 0.021,448 42.75,449 1.188,450 18,451 0.5,452 24.75,453 0.688,454 37.887,455 1.052,456 40.386,457 0.577,458 33.844,459 0.94,460 8.196,461 0.228,462 9.376,463 0.26,464 0.129,466 0.337,472 0.866,473 1.573,474 0.71,475 1.214,476 0.738,477 1.053,478 1.276,479 1.017,480 0.815,481 0.837,482 0.903,483 0.849,484 1.018,485 1.208,486 0.951,487 1.009,488 0.844,489 0.994,490 0.894,491 1.11,492 0.925,493 1.041,494 0.899,495 1.046,496 0.871,497 0.956,498 0.728,499 0.84,500 0.817,501 0.875,502 0.765,503 1.032,504 0.827,505 0.972,506 0.768,507 0.998,508 0.825,509 1.026,510 0.783,511 0.914,512 0.825,513 0.937,514 1.098,515 0.982,516 0.883,517 0.908,518 1.079,519 0.943,520 7.5,521 0.33,522 4,523 1.875,524 2.356,525 1.431,526 1.007,527 0.686,528 0.484,529 0.332,530 19588,531 48434,532 2.12,533 48.6,535 25,538 1,540 4,541 4,542 1.778,543 2,544 3.655,545 -0.355,550 111.33,551 1.59,552 3.47,553 4.614,554 5.268,555 5.297,556 5.326,557 3.086,558 4.892,559 5.136,560 3.837,561 2417.3,562 9.055,563 38393.1,568 429.05,569 1.352,570 5.109,571 0.188,572 0.009,573 0.071,574 0.031,575 0.042,576 0.026,577 0.018,578 0.013,579 0.01,580 0.007,581 0.414,582 0.17,583 0.75,584 0.795,585 195.784,586 -0.017,587 -0.305,588 0.059,589 -0.136,590 0.04,591 -0.034,592 -0.098,593 0.121,594 0.045,595 0.138,596 0.064,597 0.105,598 -0.026,599 -0.108,600 -0.033,601 -0.029,602 0.071,603 -0.025,604 -0.022,605 -0.046,606 -0.063,607 -0.09,608 -0.007,609 -0.08,610 0.029,611 0.048,612 0.071,613 0.088,614 0.06,615 0.087,616 0.053,617 0.009,618 -0.006,619 -0.016,620 0.044,621 -0.021,622 0.016,624 0.049,625 0.027,626 0.017,627 0.031,628 -0.11,629 0.049,630 0.007,631 0.036,632 -0.101,633 0.016,634 1.03,635 2.142,636 0.778,637 44.42,638 1.001,639 1.133,640 3.481,641 12.117,642 0.652,643 3.714,644 4.043,645 4.344,646 4.615,647 4.927,648 5.056,649 5.252,650 5.434,651 5.628,652 5.74,653 7.739,654 0.614,655 512.11,656 3.714,657 5.263,658 6.125,659 7.008,660 7.887,661 8.777,662 9.664,663 10.558,664 11.45,665 12.347,666 7.1,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 70,705 17,706 2,707 40,709 74,710 27,711 14,712 6,713 6,717 5,718 6,719 1,724 6,727 6,729 14,730 13,747 34,748 8,749 1,750 9,751 1,755 5,760 0.8,761 3,771 1,776 5,780 1,792 1,795 1,796 4,801 3,802 1,805 36,810 8,811 1,812 3,814 2,815 2,824 1,825 4.3,829 1,830 2,832 18,833 13.36,834 8.056,835 4.259,836 3.155,837 1.37,838 0.974,839 8.135,840 11.671,841 3.902,842 4.477,843 5.055,844 5.637,845 6.268,846 6.633,847 7.077,848 7.538,849 7.977,850 8.199,851 0.889,852 61,853 13.321,854 5.593,855 7.531,856 26.123,857 21.722,859 2.031,860 73.111,864 388.446,865 133.756,866 57.83,867 39.149,868 33,871 133.756,872 460.595,873 57.83,874 32.649,875 18.561,876 56.857,877 44.571,878 67.72,879 4.227,880 388.446,881 39.149,882 388.446,883 191.586,884 33,885 39.149,887 294.278,888 116.169,889 11,891 43.739,892 114.276,893 72.72,895 388.446,896 90.83,897 172.905,900 388.446,901 44.249,902 95.755,903 18.011,904 105.719,905 388.446,906 90.83,907 172.905,909 0.577,910 0.348,911 0.187,912 0.109,913 27,914 12,915 0.095,916 7,917 1,918 1.071,919 4.588,920 355.781,921 0.071,922 28,923 176.117,928 25.492,929 11.488,930 5.736,931 1.662,932 90.83,933 11.43,934 9.924,938 4.309,940 18.011,941 652.181,942 48.5,952 70.069,953 79.292,954 0.259,955 0.566,956 0.753,957 0.86,958 0.864,959 0.869,960 5.16,961 1.893,962 6.107,963 6.2,964 4.727,965 5.165,966 2.038,967 6.921,968 4.592,969 6.341,970 1.677,971 7.666,972 5.527,973 4.29,974 4.987,975 0.57,976 7.803,977 4.06,978 7.643,979 1.523,980 9.32,981 4.738,982 6.33,983 7.338,984 1.659,985 10.887,986 6.079,987 8.977,988 1.316,989 11.028,990 4.165,991 6.698,992 7.994,993 0.479,994 12.566,995 6.358,996 10.344,997 1.063,998 12.772,999 3.53,1000 8.19,1001 9.847,1002 1.38,1003 15.163,1004 7.834,1005 11.732,1006 1,1007 14.538,1008 2.527,1009 8.936,1010 10.912,1011 0.346,1012 17.19,1013 8.503,1014 13.138,1015 1,1016 16.322,1017 2.275,1018 10.202,1019 12.562,1020 1.143,1021 19.613,1022 9.746,1023 3.184,1024 0.715,1025 18.12,1026 2.275,1027 11.137,1028 13.844,1029 0.237,1030 21.803,1031 10.617,1032 2.925,1033 10.706,1034 19.927,1035 1.614,1036 12.309,1037 15.407,1038 0.933,1039 24.165,1040 11.759,1041 2.771,1042 9.275,1043 21.743,1044 4.549,1045 13.337,1046 16.803,1047 0.158,1048 26.434,1049 12.734,1050 2.656,1051 8.972,1052 23.566,1053 3.642,1054 14.473,1055 18.33,1056 0.751,1057 28.778,1058 13.836,1059 2.497,1060 8.468,1061 25.396,1062 3.551,1063 15.55,1064 19.784,1065 0.104,1066 31.086,1067 14.866,1068 2.319,1069 7.285,1070 27.23,1071 3.117,1072 16.676,1073 21.299,1074 0.596,1075 33.429,1076 15.956,1077 2.137,1078 6.716,1079 29.069,1080 2.883,1081 17.779,1082 22.782,1083 0.068,1084 35.759,1085 17.016,1086 18476,1087 29311,1088 27.046,1089 45.671,1090 59.25,1091 60.814,1092 61.666,1093 59.358,1094 59.32,1095 72.36,1096 9.16,1097 171.655,1098 55.097,1099 5.611,1100 5.327,1101 6.218,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 16.888,1109 1.481,1110 1.52,1111 1.542,1112 1.484,1113 1.483,1114 1.809,1115 0.229,1116 4.291,1117 1.377,1118 4.097,1119 4.132,1120 4.08,1121 3.986,1122 5.095,1123 4.002,1124 3.917,1125 3.972,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.878,1131 3.903,1132 3.809,1133 3.763,1134 4.762,1135 3.765,1136 3.73,1137 3.788,1138 3.615,1139 3.57,1140 4.651,1141 3.568,1142 3.489,1143 3.527,1144 3.461,1145 3.271,1146 4.5,1147 3.307,1148 3.299,1149 3.366,1150 3.32,1151 3.034,1152 4.391,1153 3.04,1154 3.254,1155 3.319,1156 3.118,1157 2.99,1158 4.309,1159 3.003,1160 3.159,1161 3.244,1162 3.07,1163 2.941,1164 4.105,1165 2.929,1166 0.115,1167 0.083,1168 0.166,1169 0.103,1170 0.08,1171 4.611,1172 0.114,1173 3.327,1174 0.022,1175 6.628,1176 0.268,1177 4.14,1178 0.076,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.092,1187 2.145,1188 1.463,1189 2.127,1190 1.881,1191 1.842,1192 2.045,1193 2.058,1194 1.311,1195 2.062,1196 1.861,1197 1.82,1198 1.955,1199 1.947,1200 1.181,1201 1.957,1202 1.712,1203 1.654,1204 1.934,1205 1.899,1206 1.048,1207 1.913,1208 1.381,1209 1.343,1210 1.603,1211 1.646,1212 0.825,1213 1.625,1214 1.249,1215 1.178,1216 1.598,1217 1.554,1218 0.8,1219 1.569,1220 1.195,1221 1.122,1222 1.576,1223 1.525,1224 0.687,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.387,1230 0.595,1231 1.429,1232 4.394,1233 5.72,1235 7.253,1237 8.878,1239 10.549,1241 5.096,1242 6.093,1247 8.563,1248 3.459,1249 16.739,1251 0.935,1252 4.901,1257 42.981,1258 111.33,1259 242.893,1260 323.011,1261 368.785,1262 370.785,1263 372.785,1264 55.961,1265 8.516,1266 71.98,1267 71.98,1268 30,1269 12.872,1270 4.17,1271 3.248,1272 54.264,1273 164,1274 188,1275 0.158,1276 263.671,1277 456.62,1278 635.116,1279 63134,1280 1.4,1281 25.07,1282 0.696,1283 0.609,1284 25.57,1285 21.923,1286 17.572,1287 0.439,1288 0.323,1289 12.355,1290 16.424,1291 11.996,1292 9.906,1293 17.86,1294 12.936,1295 15.461,1296 0.276,1297 0.176,1298 15.869,1299 9.878,1300 13.64,1301 0.179,1302 0.099,1303 13.929,1304 7.555,1305 11.256,1306 0.113,1307 0.054,1308 11.423,1309 5.397,1310 9.8,1311 0.072,1312 0.03,1313 10.036,1314 4.079,1315 0.248,1316 114.325,1317 0.192,1318 32.841,1319 0.435,1320 192,1321 538.323,1322 227.367,1323 537.012,1324 734.08,1325 508,1326 228,1327 519.759,1328 259.218,1329 536.204,1330 787.04,1331 501,1332 6.292}
{0 CHEMBL496356,1 1.59,2 13.167,3 4.919,4 24.2,5 143.6,6 7.316,7 0.425,8 4.348,9 4.47,10 3.902,11 3.842,12 5.361,13 3.819,14 4.934,15 5.122,16 4.273,17 4.263,18 5.876,19 4.214,20 5.214,21 5.435,22 4.391,23 4.457,24 6.103,25 4.373,26 5.329,27 5.579,28 4.323,29 4.471,30 6.207,31 4.365,32 5.329,33 5.586,34 4.305,35 4.467,36 6.167,37 4.357,38 5.298,39 5.549,40 4.291,41 4.47,42 6.151,43 4.353,44 5.296,45 5.555,46 4.288,47 4.423,48 6.159,49 4.313,50 5.215,51 5.461,52 4.256,53 4.346,54 6.117,55 4.251,56 0.034,57 1.028,58 15.543,59 6.403,60 11.439,61 8.74,62 0.4,63 1.682,64 31.388,65 10.805,66 35.231,67 15.035,68 0.452,69 2.123,70 44.049,71 14.111,72 41.5,73 20.663,74 0.693,75 2.268,76 50.403,77 15.451,78 61.28,79 22.849,80 0.696,81 2.237,82 49.33,83 15.684,84 60.852,85 23.41,86 0.616,87 2.217,88 47.645,89 15.764,90 52.983,91 23.254,92 0.563,93 2.151,94 48.318,95 14.937,96 56.948,97 22.393,98 0.66,99 1.938,100 45.402,101 13.442,102 60.426,103 19.474,104 26,105 56,106 0.25,107 0.565,108 0.75,109 0.834,110 0.838,111 0.843,112 3.616,113 0.976,114 -4.71,115 -4.63,116 -4.35,119 38.6,121 4,122 1,124 2,125 5,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 5,165 3,166 11,169 1,171 4,172 7,175 1,176 6,181 4,183 5,186 2,187 10,190 3,192 2,194 6,197 2,198 3,201 1,203 1,205 6,208 4,209 6,212 1,214 4,217 8,220 1,221 8,227 5,231 12,234 2,238 5,242 9,249 5,252 2576,253 24.884,254 24.884,255 24.884,256 24.884,257 24.884,258 22.9,259 38.756,260 14.471,261 25.762,262 19.577,263 19.577,264 19.577,265 19.577,266 19.577,267 16.413,268 61.928,269 6.659,270 20.918,271 4.539,272 2.532,273 1.357,274 0.822,275 0.793,276 0.764,277 4.325,279 1,283 1,284 1031,285 3.162,288 535.445,292 167.325,295 1.944,296 30.747,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 77.833,308 474,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.178,320 6.204,321 3.869,322 2.925,323 3.642,324 0.86,325 9.275,326 2.762,327 4.012,328 3.062,329 6.11,330 3.697,331 2.771,332 3.551,333 0.8,334 8.972,335 2.565,336 3.904,337 2.959,338 5.985,339 3.597,340 2.656,341 3.117,342 0.8,343 8.468,344 2.495,345 3.754,346 2.818,347 5.482,348 3.441,349 2.497,350 2.883,351 0.4,352 7.285,353 2.359,354 3.496,355 2.467,356 5.285,357 3.289,358 2.319,359 2.84,361 6.716,362 2.228,363 3.351,364 2.411,365 5.148,366 3.041,367 2.137,368 2.611,370 6.2,371 1.906,372 3.301,373 2.224,374 4.856,375 2.823,376 1.893,377 2.367,379 5.527,380 1.697,381 2.897,382 1.904,383 4.596,384 2.617,385 1.677,386 1.985,388 4.738,389 1.571,390 2.728,391 1.816,392 4.405,393 2.432,394 1.523,395 1.763,397 4.165,398 1.377,399 2.5,400 1.484,401 4.177,402 2.26,403 1.316,404 1.5,406 3.53,407 1.236,408 2.393,409 1.19,410 3.504,411 2.018,412 1.063,413 1.389,415 2.527,416 1.011,417 2.093,418 1.077,419 3.471,420 2,421 1,422 1.086,424 2.275,425 1,426 2,427 1.036,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.918,436 1,437 3.414,438 1.612,439 0.715,440 0.834,442 1.614,443 0.633,444 17.214,445 0.478,446 0.772,447 0.021,448 42.5,449 1.181,450 18,451 0.5,452 24.5,453 0.681,454 38.284,455 1.063,456 40.386,457 0.577,458 33.447,459 0.929,460 7.988,461 0.222,462 9.583,463 0.266,464 0.119,466 0.337,472 0.894,473 1.523,474 0.723,475 1.164,476 0.836,477 1.03,478 1.118,479 1.058,480 0.816,481 0.888,482 0.821,483 0.899,484 0.887,485 1.248,486 0.917,487 1.046,488 0.695,489 1.011,490 0.94,491 1.019,492 0.913,493 0.961,494 0.975,495 0.987,496 0.826,497 0.998,498 0.732,499 0.883,500 0.777,501 0.91,502 0.718,503 1.031,504 0.813,505 0.973,506 0.796,507 0.995,508 0.875,509 1.051,510 0.777,511 0.924,512 0.936,513 0.932,514 1.279,515 0.885,516 0.908,517 0.816,518 1.164,519 0.883,520 7.5,521 0.33,522 4,523 1.875,524 2.356,525 1.431,526 1.007,527 0.686,528 0.484,529 0.332,530 19588,531 48906,532 2.12,533 48.6,534 2,535 23,538 2,540 2,541 5,542 1.778,543 2,544 3.655,545 0.176,550 111.33,551 1.59,552 3.597,553 4.772,554 5.308,555 5.336,556 5.365,557 3.086,558 4.892,559 5.136,560 3.837,561 2417.3,562 9.055,563 38393.1,568 429.05,569 1.352,570 5.109,571 0.188,572 0.009,573 0.071,574 0.031,575 0.042,576 0.026,577 0.018,578 0.013,579 0.01,580 0.007,581 0.414,582 0.17,583 0.75,584 0.795,585 195.784,586 -0.046,587 -0.255,588 0.046,589 -0.085,590 -0.026,591 -0.01,592 -0.071,593 0.099,594 0.028,595 0.1,596 0.022,597 0.068,598 -0.013,599 -0.154,600 -0.012,601 -0.062,602 0.062,603 -0.031,604 -0.013,605 0.027,606 -0.042,607 -0.025,608 -0.026,609 -0.031,610 0.042,611 0.014,612 0.06,613 0.055,614 0.03,615 0.058,616 0.067,617 0.006,618 0.006,619 -0.015,620 0.019,621 -0.015,622 -0.009,623 -0.034,624 0.058,625 0.013,626 -0.022,627 0.033,628 -0.138,629 0.139,631 0.111,632 -0.133,633 0.057,634 1.21,635 3.619,636 0.778,637 44.42,638 1.001,639 1.133,640 3.481,641 12.117,642 0.652,643 3.714,644 4.043,645 4.344,646 4.615,647 4.927,648 5.056,649 5.252,650 5.434,651 5.628,652 5.74,653 7.739,654 0.614,655 512.11,656 3.714,657 5.263,658 6.125,659 7.008,660 7.887,661 8.777,662 9.664,663 10.558,664 11.45,665 12.347,666 7.1,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 70,705 17,706 2,707 40,709 74,710 27,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 5,725 1,727 5,729 14,730 13,731 1,747 34,748 8,749 2,750 9,751 1,755 5,760 0.8,761 3,762 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 36,809 1,810 9,811 1,812 2,814 2,815 2,824 1,825 4.3,826 1,830 2,832 18,833 12.893,834 8.056,835 4.304,836 3.155,837 1.37,838 0.961,839 8.135,840 11.671,841 3.902,842 4.477,843 5.055,844 5.637,845 6.268,846 6.633,847 7.077,848 7.538,849 7.977,850 8.199,851 0.889,852 61,853 13.337,854 5.647,855 7.586,856 26.106,857 21.921,859 2.086,860 75.111,864 376.675,865 122.873,866 57.83,867 39.149,868 64.683,871 122.873,872 480.507,873 57.83,874 21.766,875 18.561,876 99.541,877 33.571,878 67.72,879 4.227,880 376.675,881 39.149,882 376.675,883 180.703,884 64.683,885 39.149,887 294.278,888 104.397,889 42.683,891 43.739,892 103.393,893 72.72,895 376.675,896 122.514,897 162.022,900 376.675,901 44.249,902 84.872,903 18.011,904 137.403,905 376.675,906 122.514,907 162.022,909 0.577,910 0.348,911 0.187,912 0.109,913 27,914 12,915 0.095,916 7,917 1,918 1.071,919 4.588,920 355.781,921 0.071,922 28,923 178.117,928 25.492,929 11.488,930 5.736,931 1.641,932 122.514,933 11.383,934 9.897,938 4.251,940 60.694,941 661.21,942 48.5,952 70.069,953 79.292,954 0.259,955 0.587,956 0.779,957 0.866,958 0.871,959 0.875,960 5.16,961 1.893,962 6.107,963 6.2,964 4.727,965 5.165,966 1.824,967 6.921,968 4.603,969 6.341,970 1.677,971 7.666,972 5.527,973 4.29,974 4.987,975 0.57,976 7.803,977 4.081,978 7.643,979 1.523,980 9.32,981 4.738,982 6.33,983 7.338,984 1.426,985 10.887,986 6.099,987 8.977,988 1.316,989 11.028,990 4.165,991 6.698,992 7.994,993 0.479,994 12.566,995 6.385,996 10.344,997 1.063,998 12.772,999 3.53,1000 8.19,1001 9.847,1002 1.153,1003 15.163,1004 7.858,1005 11.732,1006 1,1007 14.538,1008 2.527,1009 8.936,1010 10.912,1011 0.346,1012 17.19,1013 8.532,1014 13.138,1015 1,1016 16.322,1017 2.275,1018 10.202,1019 12.562,1020 0.931,1021 19.613,1022 9.773,1023 3.184,1024 0.715,1025 18.12,1026 2.275,1027 11.137,1028 13.844,1029 0.237,1030 21.803,1031 10.645,1032 2.925,1033 10.706,1034 19.927,1035 1.614,1036 12.309,1037 15.407,1038 0.742,1039 24.165,1040 11.786,1041 2.771,1042 9.275,1043 21.743,1044 4.549,1045 13.337,1046 16.803,1047 0.158,1048 26.434,1049 12.761,1050 2.656,1051 8.972,1052 23.566,1053 3.642,1054 14.473,1055 18.33,1056 0.583,1057 28.778,1058 13.862,1059 2.497,1060 8.468,1061 25.396,1062 3.551,1063 15.55,1064 19.784,1065 0.104,1066 31.086,1067 14.891,1068 2.319,1069 7.285,1070 27.23,1071 3.117,1072 16.676,1073 21.299,1074 0.452,1075 33.429,1076 15.98,1077 2.137,1078 6.716,1079 29.069,1080 2.883,1081 17.779,1082 22.782,1083 0.068,1084 35.759,1085 17.038,1086 18476,1087 29439,1088 27.046,1089 45.671,1090 59.25,1091 60.877,1092 61.666,1093 59.365,1094 59.32,1095 72.36,1096 7.44,1097 171.655,1098 55.421,1099 5.611,1100 5.327,1101 6.218,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 16.888,1109 1.481,1110 1.522,1111 1.542,1112 1.484,1113 1.483,1114 1.809,1115 0.186,1116 4.291,1117 1.386,1118 4.098,1119 4.133,1120 4.08,1121 3.987,1122 6.456,1123 4.002,1124 3.925,1125 3.982,1126 3.966,1127 3.82,1128 5.094,1129 3.814,1130 3.878,1131 3.903,1132 3.815,1133 3.781,1134 4.936,1135 3.78,1136 3.742,1137 3.802,1138 3.624,1139 3.596,1140 4.762,1141 3.591,1142 3.492,1143 3.53,1144 3.463,1145 3.274,1146 4.5,1147 3.309,1148 3.312,1149 3.379,1150 3.322,1151 3.102,1152 4.397,1153 3.095,1154 3.254,1155 3.319,1156 3.136,1157 2.991,1158 4.363,1159 3.005,1160 3.159,1161 3.243,1162 3.07,1163 2.941,1164 4.161,1165 2.929,1166 0.115,1167 0.083,1168 0.166,1169 0.103,1170 0.08,1171 4.611,1172 0.114,1173 3.327,1174 0.022,1175 6.628,1176 0.268,1177 4.14,1178 0.076,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.102,1187 2.145,1188 1.486,1189 2.128,1190 1.895,1191 1.844,1192 2.052,1193 2.065,1194 1.343,1195 2.071,1196 1.862,1197 1.834,1198 1.963,1199 1.947,1200 1.181,1201 1.958,1202 1.734,1203 1.676,1204 1.943,1205 1.909,1206 1.048,1207 1.925,1208 1.384,1209 1.345,1210 1.604,1211 1.648,1212 0.905,1213 1.627,1214 1.29,1215 1.22,1216 1.596,1217 1.546,1218 0.825,1219 1.562,1220 1.196,1221 1.123,1222 1.576,1223 1.525,1224 0.695,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.387,1230 0.596,1231 1.429,1232 4.394,1233 5.72,1235 7.253,1237 8.878,1239 10.549,1241 3.256,1242 6.087,1246 9.619,1247 8.635,1248 3.449,1249 11.083,1251 0.959,1252 4.848,1257 42.981,1258 111.33,1259 251.819,1260 334.03,1261 371.54,1262 373.54,1263 375.54,1264 60.049,1265 8.516,1266 82.98,1267 82.98,1268 30,1269 12.872,1270 4.17,1271 3.248,1272 54.264,1273 164,1274 188,1275 0.158,1276 263.671,1277 456.62,1278 635.116,1279 63134,1280 1.4,1281 25.07,1282 0.696,1283 0.602,1284 25.57,1285 21.669,1286 17.572,1287 0.439,1288 0.325,1289 12.458,1290 16.497,1291 12.134,1292 10.006,1293 17.86,1294 13.016,1295 15.461,1296 0.276,1297 0.18,1298 15.869,1299 10.069,1300 13.64,1301 0.179,1302 0.1,1303 13.929,1304 7.621,1305 11.256,1306 0.113,1307 0.055,1308 11.423,1309 5.485,1310 9.8,1311 0.072,1312 0.03,1313 10.036,1314 4.137,1315 0.248,1316 113.917,1317 0.192,1318 32.841,1319 0.435,1320 192,1321 526.737,1322 225.928,1323 529.657,1324 722.4,1325 500,1326 228,1327 509.638,1328 257.834,1329 525.901,1330 773.72,1331 493,1332 7.68}
{0 CHEMBL496787,1 1.649,2 13.167,3 4.08,4 16.646,5 140.194,6 7.56,7 0.425,8 4.332,9 4.447,10 3.912,11 3.801,12 5.374,13 3.795,14 4.914,15 5.092,16 4.284,17 4.206,18 5.9,19 4.181,20 5.168,21 5.372,22 4.397,23 4.397,24 6.132,25 4.337,26 5.255,27 5.487,28 4.321,29 4.433,30 6.159,31 4.339,32 5.316,33 5.569,34 4.312,35 4.44,36 6.174,37 4.34,38 5.28,39 5.524,40 4.297,41 4.427,42 6.163,43 4.327,44 5.248,45 5.494,46 4.289,47 4.376,48 6.155,49 4.285,50 5.165,51 5.397,52 4.257,53 4.317,54 6.098,55 4.233,56 0.08,57 0.996,58 14.555,59 6.111,60 11.892,61 8.093,62 0.533,63 1.6,64 30.361,65 10.075,66 39.027,67 13.56,68 0.801,69 1.987,70 41.919,71 12.824,72 55.866,73 18.289,74 0.714,75 2.147,76 45.551,77 14.349,78 55.623,79 20.893,80 0.825,81 2.178,82 48.694,83 15.201,84 64.988,85 22.554,86 0.792,87 2.126,88 46.993,89 14.971,90 59.237,91 21.8,92 0.777,93 2.032,94 45.906,95 13.801,96 62.054,97 20.373,98 0.723,99 1.854,100 42.284,101 12.784,102 59.609,103 18.176,104 26,105 56,106 0.26,107 0.587,108 0.764,109 0.833,110 0.837,111 0.842,112 3.616,113 0.947,114 -3.77,115 -3.74,116 -3.55,119 38.2,121 2,124 2,125 6,127 2,138 6,139 1,140 4,142 1,143 1,146 1,163 3,165 3,166 9,169 1,171 3,172 6,175 2,176 5,179 1,181 3,183 5,186 2,187 10,190 3,192 1,194 2,197 2,198 5,201 1,203 1,205 4,208 4,209 4,212 1,214 4,217 8,220 2,221 7,227 5,231 8,234 2,238 5,241 2,242 7,249 5,252 2576,253 24.884,254 24.884,255 24.884,256 24.884,257 24.884,258 22.9,259 39.216,260 14.471,261 25.906,262 19.577,263 19.577,264 19.577,265 19.577,266 19.577,267 16.413,268 63.265,269 6.659,270 21.151,271 4.439,272 2.369,273 1.25,274 0.816,275 0.787,276 0.757,277 4.325,279 1,283 1,284 1031,285 3.162,288 535.445,292 167.325,295 1.944,296 34.28,299 0.75,300 0.67,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.85,307 78.833,308 474,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.212,320 6.204,321 3.862,322 2.925,323 3.642,324 0.86,325 9.275,326 2.739,327 4.012,328 3.09,329 6.11,330 3.693,331 2.771,332 3.551,333 0.86,334 8.972,335 2.556,336 3.904,337 2.964,338 5.985,339 3.593,340 2.656,341 3.117,342 0.8,343 8.468,344 2.477,345 3.754,346 2.836,347 5.482,348 3.433,349 2.497,350 2.883,351 0.8,352 7.285,353 2.325,354 3.496,355 2.686,356 5.285,357 3.247,358 2.319,359 2.84,360 0.4,361 6.716,362 2.143,363 3.351,364 2.457,365 5.148,366 3.041,367 2.137,368 2.611,370 6.2,371 1.906,372 3.301,373 2.224,374 4.856,375 2.823,376 1.893,377 2.367,379 5.527,380 1.697,381 2.897,382 1.904,383 4.596,384 2.612,385 1.677,386 1.985,388 4.738,389 1.56,390 2.728,391 1.837,392 4.405,393 2.429,394 1.523,395 1.763,397 4.165,398 1.371,399 2.5,400 1.678,401 4.177,402 2.232,403 1.316,404 1.5,406 3.53,407 1.197,408 2.393,409 1.388,410 3.504,411 2,412 1.063,413 1.389,415 2.527,416 1,417 2.093,418 1.077,419 3.471,420 1.984,421 1,422 1.086,424 2.275,425 0.983,426 2,427 1.045,428 3.414,429 1.963,430 1,431 1,433 2.275,434 0.949,435 1.918,436 1.042,437 3.414,438 1.611,439 0.715,440 0.834,442 1.614,443 0.633,444 17.048,445 0.474,446 0.772,447 0.021,448 43,449 1.194,450 18,451 0.5,452 25,453 0.694,454 36.835,455 1.023,456 40.552,457 0.596,458 34.896,459 0.969,460 8.448,461 0.235,462 9.124,463 0.253,464 0.12,466 0.34,472 0.907,473 1.565,474 0.697,475 1.193,476 0.858,477 1.025,478 1.243,479 1.042,480 0.821,481 0.853,482 0.922,483 0.857,484 1.003,485 1.174,486 0.955,487 0.965,488 0.764,489 0.97,490 0.826,491 1.102,492 0.934,493 1.045,494 0.836,495 1.064,496 0.79,497 1.009,498 0.726,499 0.893,500 0.769,501 0.918,502 0.809,503 1.006,504 0.819,505 0.941,506 0.851,507 0.972,508 0.924,509 1.022,510 0.806,511 0.897,512 0.996,513 0.931,514 1.145,515 0.944,516 0.923,517 0.877,518 1.135,519 0.941,520 7.5,521 0.33,522 4,523 1.875,524 2.356,525 1.431,526 1.007,527 0.686,528 0.484,529 0.332,530 19588,531 53586,532 2.12,533 47.1,535 26,538 2,541 4,542 1.778,543 2,544 3.655,545 0.204,550 112.126,551 1.649,552 3.719,553 4.837,554 5.271,555 5.301,556 5.33,557 3.086,558 4.892,559 5.136,560 3.837,561 2417.3,562 9.055,563 38393.1,568 413.947,569 1.352,570 5.109,571 0.188,572 0.009,573 0.071,574 0.031,575 0.042,576 0.026,577 0.018,578 0.013,579 0.01,580 0.007,581 0.414,582 0.33,583 0.75,584 0.795,585 195.784,586 -0.062,587 -0.297,588 0.047,589 -0.118,590 -0.054,591 -0.023,592 -0.132,593 0.103,594 0.022,595 0.121,596 -0.033,597 0.088,598 -0.014,599 -0.078,600 -0.042,601 0.01,602 0.062,603 -0.009,604 -0.017,605 -0.023,606 -0.082,607 -0.09,608 -0.026,609 -0.095,610 0.028,612 0.064,613 0.046,614 0.019,615 0.058,616 0.019,617 0.022,618 0.004,619 0.01,620 -0.015,621 0.005,622 -0.037,623 0.005,624 0.03,625 0.038,626 -0.065,627 0.032,628 -0.139,629 0.098,630 -0.03,631 0.066,632 -0.15,633 0.011,634 1.433,635 3.494,636 0.778,637 44.42,638 1.008,639 1.134,640 2.544,641 6.47,642 0.652,643 3.714,644 4.043,645 4.344,646 4.615,647 4.927,648 5.056,649 5.252,650 5.434,651 5.628,652 5.74,653 7.739,654 0.62,655 514.08,656 3.714,657 5.263,658 6.125,659 7.008,660 7.887,661 8.777,662 9.664,663 10.558,664 11.45,665 12.347,666 7.4,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 68,705 17,706 2,707 40,709 72,710 26,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 4,727 4,729 14,730 12,747 32,748 9,749 2,750 10,751 1,755 5,760 0.8,761 4,762 1,771 1,776 5,780 1,792 1,794 1,795 1,796 4,801 2,802 1,805 36,809 1,810 8,811 1,812 3,814 2,815 2,824 1,825 5.9,826 1,829 1,830 2,832 18,833 12.56,834 8.056,835 4.026,836 3.155,837 1.37,838 0.959,839 8.105,840 11.671,841 3.902,842 4.477,843 5.055,844 5.637,845 6.268,846 6.633,847 7.077,848 7.538,849 7.977,850 8.199,851 0.889,852 61,853 13.324,854 5.642,855 7.642,856 25.824,857 21.447,859 2.142,860 77.111,864 353.133,865 122.396,866 57.83,867 39.149,868 75.683,871 122.396,872 467.965,873 57.83,874 21.766,875 18.084,876 99.541,877 44.571,878 67.72,879 4.227,880 353.133,881 39.149,882 353.133,883 180.227,884 75.683,885 39.149,887 306.049,888 69.084,889 53.683,891 43.263,892 103.393,893 72.72,895 353.133,896 133.513,897 161.545,900 353.133,901 43.773,902 84.872,903 18.011,904 148.403,905 353.133,906 133.513,907 161.545,909 0.577,910 0.348,911 0.187,912 0.109,913 27,914 12,915 0.097,916 7,917 1,918 1.071,919 4.588,920 355.781,921 0.071,922 28,923 178.117,928 25.455,929 11.463,930 5.721,931 1.611,932 133.513,933 11.319,934 9.857,938 4.169,940 60.694,941 648.191,942 48.5,952 68.512,953 77.086,954 0.271,955 0.611,956 0.795,957 0.866,958 0.871,959 0.876,960 5.16,961 1.893,962 6.107,963 6.2,964 4.727,965 5.165,966 2.038,967 6.921,968 4.584,969 6.341,970 1.677,971 7.666,972 5.527,973 4.29,974 4.987,975 0.57,976 7.803,977 4.06,978 7.643,979 1.523,980 9.32,981 4.738,982 6.33,983 7.338,984 1.659,985 10.887,986 6.066,987 8.977,988 1.316,989 11.028,990 4.165,991 6.698,992 7.994,993 0.479,994 12.566,995 6.355,996 10.344,997 1.063,998 12.772,999 3.53,1000 8.19,1001 9.847,1002 1.38,1003 15.163,1004 7.819,1005 11.732,1006 1,1007 14.538,1008 2.527,1009 8.936,1010 10.912,1011 0.346,1012 17.19,1013 8.497,1014 13.138,1015 1,1016 16.322,1017 2.275,1018 10.202,1019 12.562,1020 1.143,1021 19.613,1022 9.732,1023 3.184,1024 0.715,1025 18.12,1026 2.275,1027 11.137,1028 13.844,1029 0.237,1030 21.803,1031 10.608,1032 2.925,1033 10.706,1034 19.927,1035 1.614,1036 12.309,1037 15.407,1038 0.933,1039 24.165,1040 11.746,1041 2.771,1042 9.275,1043 21.743,1044 4.549,1045 13.337,1046 16.803,1047 0.158,1048 26.434,1049 12.724,1050 2.656,1051 8.972,1052 23.566,1053 3.642,1054 14.473,1055 18.33,1056 0.751,1057 28.778,1058 13.824,1059 2.497,1060 8.468,1061 25.396,1062 3.551,1063 15.55,1064 19.784,1065 0.104,1066 31.086,1067 14.857,1068 2.319,1069 7.285,1070 27.23,1071 3.117,1072 16.676,1073 21.299,1074 0.596,1075 33.429,1076 15.945,1077 2.137,1078 6.716,1079 29.069,1080 2.883,1081 17.779,1082 22.782,1083 0.068,1084 35.759,1085 17.007,1086 18476,1087 30723,1088 27.046,1089 44.364,1090 59.25,1091 61.022,1092 61.666,1093 59.366,1094 59.32,1095 72.36,1096 9.16,1097 171.655,1098 54.831,1099 5.611,1100 5.327,1101 6.218,1102 5.246,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 16.888,1109 1.481,1110 1.526,1111 1.542,1112 1.484,1113 1.483,1114 1.809,1115 0.229,1116 4.291,1117 1.371,1118 4.096,1119 4.131,1120 4.079,1121 3.986,1122 6.456,1123 4.001,1124 3.903,1125 3.956,1126 3.966,1127 3.82,1128 5.094,1129 3.814,1130 3.878,1131 3.902,1132 3.8,1133 3.737,1134 4.936,1135 3.743,1136 3.706,1137 3.758,1138 3.601,1139 3.506,1140 4.762,1141 3.519,1142 3.487,1143 3.524,1144 3.458,1145 3.268,1146 4.607,1147 3.303,1148 3.312,1149 3.379,1150 3.319,1151 3.1,1152 4.5,1153 3.094,1154 3.254,1155 3.318,1156 3.136,1157 2.985,1158 4.389,1159 2.999,1160 3.129,1161 3.209,1162 3.07,1163 2.941,1164 4.263,1165 2.91,1166 0.115,1167 0.083,1168 0.166,1169 0.103,1170 0.08,1171 4.611,1172 0.114,1173 3.327,1174 0.022,1175 6.628,1176 0.268,1177 4.14,1178 0.076,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.08,1187 2.145,1188 1.436,1189 2.125,1190 1.868,1191 1.841,1192 2.029,1193 2.046,1194 1.202,1195 2.045,1196 1.85,1197 1.798,1198 1.95,1199 1.946,1200 1.171,1201 1.955,1202 1.653,1203 1.601,1204 1.874,1205 1.879,1206 1.048,1207 1.879,1208 1.38,1209 1.342,1210 1.604,1211 1.645,1212 0.903,1213 1.625,1214 1.288,1215 1.217,1216 1.594,1217 1.545,1218 0.825,1219 1.56,1220 1.195,1221 1.122,1222 1.576,1223 1.525,1224 0.628,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.58,1231 1.429,1232 4.394,1233 5.72,1235 7.253,1237 8.878,1239 10.549,1241 3.239,1242 6.08,1246 9.494,1247 6.143,1248 3.436,1249 16.692,1251 0.379,1252 4.692,1257 42.169,1258 112.126,1259 252.889,1260 328.928,1261 358.438,1262 360.438,1263 362.438,1264 60.005,1265 8.516,1266 92.21,1267 92.21,1268 30,1269 12.872,1270 4.17,1271 3.248,1272 54.264,1273 164,1274 188,1275 0.158,1276 258.075,1277 448.11,1278 621.462,1279 63134,1280 1.5,1281 25.07,1282 0.696,1283 0.594,1284 25.57,1285 21.37,1286 17.572,1287 0.439,1288 0.316,1289 12.039,1290 16.365,1291 11.746,1292 9.634,1293 17.86,1294 12.633,1295 15.461,1296 0.276,1297 0.171,1298 15.869,1299 9.553,1300 13.64,1301 0.179,1302 0.095,1303 13.929,1304 7.186,1305 11.256,1306 0.113,1307 0.051,1308 11.423,1309 5.091,1310 9.8,1311 0.072,1312 0.028,1313 10.036,1314 3.775,1315 0.248,1316 114.825,1317 0.192,1318 32.841,1319 0.435,1320 192,1321 570.473,1322 229.471,1323 562.566,1324 763.52,1325 532,1326 228,1327 534.183,1328 261.377,1329 546.911,1330 806.24,1331 513,1332 6.208}
{0 CHEMBL499852,1 1.539,2 14.949,3 5.539,4 30.679,5 159.276,6 7.015,7 0.395,8 4.454,9 4.581,10 3.971,11 3.949,12 5.432,13 3.915,14 5.05,15 5.247,16 4.326,17 4.371,18 5.95,19 4.305,20 5.337,21 5.569,22 4.44,23 4.564,24 6.177,25 4.462,26 5.445,27 5.701,28 4.366,29 4.577,30 6.281,31 4.452,32 5.447,33 5.712,34 4.324,35 4.564,36 6.231,37 4.43,38 5.424,39 5.69,40 4.291,41 4.54,42 6.221,43 4.399,44 5.395,45 5.665,46 4.248,47 4.483,48 6.191,49 4.35,50 5.328,51 5.588,52 4.238,53 4.42,54 6.17,55 4.31,56 0.049,57 1.143,58 18.338,59 7.406,60 11.578,61 10.335,62 0.429,63 1.871,64 36.287,65 12.475,66 35.663,67 17.751,68 0.484,69 2.354,70 50.481,71 16.423,72 42.159,73 24.37,74 0.727,75 2.51,76 56.664,77 17.626,78 62.332,79 26.41,80 0.666,81 2.476,82 55.257,83 17.995,84 58.264,85 27.07,86 0.71,87 2.431,88 55.704,89 17.472,90 56.618,91 26.385,92 0.614,93 2.315,94 54.639,95 16.452,96 54.11,97 24.982,98 0.794,99 2.154,100 51.992,101 14.619,102 63.024,103 22.088,104 26,105 59,106 0.236,107 0.536,108 0.743,109 0.844,110 0.848,111 0.852,112 3.693,113 1.01,114 -5.29,115 -5.18,116 -4.84,119 38,121 6,122 1,124 2,125 6,127 1,138 6,139 2,140 3,142 1,143 1,146 1,163 9,165 3,166 11,169 1,171 3,172 12,175 1,176 6,181 3,183 9,186 2,187 9,190 3,192 3,194 8,197 2,198 2,201 1,203 2,205 5,208 4,209 5,212 1,214 6,217 8,220 1,221 6,227 6,231 14,234 2,236 1,238 7,242 11,249 6,252 3502,253 27.005,254 27.005,255 27.005,256 27.005,257 27.005,258 25.021,259 40.813,260 15.903,261 27.89,262 21.06,263 21.06,264 21.06,265 21.06,266 21.06,267 17.87,268 60.316,269 7.332,270 22.4,271 4.765,272 2.813,273 1.461,274 0.804,275 0.779,276 0.753,277 4.401,279 1,283 1,284 1263,285 3.606,288 613.842,292 190.37,295 2.36,296 31.665,299 0.75,300 0.67,301 0.67,302 0.9,303 1,304 0.83,305 1,306 0.83,307 83.833,308 583,309 4.607,310 3.321,311 6.622,312 4.133,313 3.178,314 4.547,315 0.86,316 10.679,317 3.043,318 4.086,319 3.178,320 6.204,321 3.869,322 2.925,323 3.614,324 0.86,325 9.275,326 2.762,327 4.011,328 3.055,329 6.109,330 3.689,331 2.765,332 3.576,333 0.8,334 8.968,335 2.552,336 3.912,337 2.963,338 5.977,339 3.59,340 2.619,341 3.117,342 0.8,343 8.411,344 2.544,345 3.758,346 2.805,347 5.412,348 3.49,349 2.551,350 2.877,351 0.4,352 7.154,353 2.4,354 3.449,355 2.585,356 5.285,357 3.293,358 2.321,359 2.806,361 6.717,362 2.237,363 3.419,364 2.419,365 5.218,366 3.037,367 2.125,368 2.707,370 6.296,371 1.931,372 3.349,373 2.256,374 4.889,375 2.974,376 2.043,377 2.367,379 5.695,380 1.82,381 2.937,382 2.112,383 4.616,384 2.634,385 1.696,386 2.034,388 4.786,389 1.586,390 2.757,391 1.817,392 4.427,393 2.542,394 1.609,395 1.788,397 4.278,398 1.493,399 2.5,400 1.536,401 4.177,402 2.326,403 1.376,404 1.5,406 3.543,407 1.297,408 2.493,409 1.483,410 3.699,411 2.253,412 1.312,413 1.493,415 3.015,416 1.226,417 2.393,418 1.188,419 3.484,420 2.018,421 1.063,422 1.389,424 2.527,425 1.011,426 2.093,427 1.077,428 3.414,429 2,430 1,431 1.085,433 2.275,434 1,435 2,436 1.041,437 3.414,438 1.984,439 1,440 1,442 2.275,443 0.983,444 18.714,445 0.48,446 0.772,447 0.02,448 44,449 1.128,450 18,451 0.462,452 26,453 0.667,454 44.177,455 1.133,456 44.286,457 0.561,458 34.381,459 0.882,460 8.144,461 0.209,462 10.928,463 0.28,464 0.109,466 0.31,472 0.889,473 1.522,474 0.764,475 1.193,476 0.831,477 1.071,478 1.122,479 1.056,480 0.858,481 0.923,482 0.832,483 0.943,484 0.856,485 1.214,486 0.913,487 1.046,488 0.69,489 1.014,490 0.942,491 1.027,492 0.938,493 0.988,494 0.999,495 1.015,496 0.836,497 1.075,498 0.786,499 0.957,500 0.809,501 0.981,502 0.805,503 1.039,504 0.922,505 1.003,506 0.876,507 1.029,508 1.011,509 1.06,510 0.92,511 0.957,512 1.055,513 0.972,514 1.32,515 0.868,516 0.98,517 0.828,518 1.204,519 0.888,520 7.5,521 0.334,522 4.222,523 1.875,524 2.356,525 1.431,526 0.887,527 0.575,528 0.451,529 0.362,530 25787,531 61717,532 2.11,533 50.6,534 4,535 25,538 2,540 4,541 5,542 1.797,543 2,544 3.836,545 0.136,550 121.55,551 1.539,552 3.491,553 4.842,554 5.5,555 5.525,556 5.55,557 3.36,558 4.907,559 5.249,560 4.028,561 2984.99,562 9.279,563 52074.2,568 497.999,569 1.309,570 5.228,571 0.174,572 0.006,573 0.072,574 0.029,575 0.041,576 0.026,577 0.017,578 0.011,579 0.009,580 0.007,581 0.392,582 0.17,583 0.75,584 0.757,585 219.84,586 -0.029,587 -0.233,588 0.047,589 -0.077,590 -0.008,591 -0.009,592 -0.062,593 0.11,594 0.013,595 0.084,596 0.02,597 0.047,598 0.01,599 -0.129,600 0.004,601 -0.048,602 0.064,603 -0.019,604 -0.007,605 0.021,606 -0.056,607 -0.043,608 -0.042,609 -0.053,610 0.028,611 -0.062,612 0.018,613 -0.011,614 -0.007,615 -0.01,616 0.041,617 -0.009,618 -0.044,619 -0.056,620 -0.025,621 -0.061,622 -0.067,623 -0.051,624 -0.027,625 -0.022,626 -0.092,627 -0.014,628 -0.133,629 0.158,630 -0.055,631 0.086,632 -0.141,633 0.044,634 1.204,635 3.647,636 0.718,637 56.856,638 0.996,639 1.133,640 4.059,641 16.479,642 0.645,643 3.784,644 4.094,645 4.382,646 4.635,647 4.927,648 5.03,649 5.193,650 5.338,651 5.517,652 5.635,653 8.743,654 0.602,655 554.2,656 3.784,657 5.323,658 6.176,659 7.048,660 7.919,661 8.799,662 9.677,663 10.562,664 11.445,665 12.334,666 6.3,669 1,671 1,672 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 79,705 17,706 2,707 43,709 83,710 30,711 14,712 6,713 6,717 5,718 6,719 1,721 1,724 5,725 1,727 7,729 14,730 16,731 1,747 40,748 8,749 2,750 9,751 1,755 5,760 0.8,761 3,762 1,771 1,776 5,780 1,792 1,794 1,796 4,801 2,802 1,805 39,809 1,810 12,811 1,812 2,814 2,815 2,824 1,825 3.8,826 1,830 2,832 19.5,833 14.393,834 8.806,835 4.991,836 3.097,837 1.359,838 0.954,839 9.799,840 11.72,841 3.961,842 4.511,843 5.074,844 5.633,845 6.238,846 6.553,847 6.928,848 7.3,849 7.67,850 7.778,851 1,852 64,853 14.475,854 6.071,855 7.541,856 28.555,857 23.914,859 2.041,860 79.611,864 447.302,865 130.476,866 57.83,867 39.149,868 64.683,871 130.476,872 551.134,873 57.83,874 21.766,875 25.736,876 99.541,877 51.582,878 50.139,879 4.227,880 447.302,881 39.149,882 447.302,883 188.307,884 64.683,885 39.149,887 341.362,888 127.94,889 42.683,891 32.903,892 103.822,893 90.73,895 447.302,896 122.514,897 169.625,900 447.302,901 51.853,902 84.872,903 18.011,904 137.403,905 447.302,906 122.514,907 169.625,909 0.572,910 0.343,911 0.184,912 0.106,913 27,914 12,915 0.12,916 10,917 1,918 1.071,919 4.927,920 383.254,921 0.071,922 28,923 195.376,928 28.376,929 13.468,930 6.953,931 1.753,932 122.514,933 11.929,934 9.988,938 4.911,940 60.694,941 739.441,942 51.5,952 78.719,953 89.537,954 0.244,955 0.554,956 0.768,957 0.872,958 0.876,959 0.881,960 5.211,961 2.043,962 6.146,963 6.296,964 4.779,965 5.198,966 1.824,967 6.942,968 4.664,969 6.377,970 1.696,971 7.694,972 5.695,973 4.29,974 4.987,975 0.57,976 7.803,977 4.091,978 7.67,979 1.609,980 9.338,981 4.786,982 6.361,983 7.35,984 1.426,985 10.884,986 6.146,987 8.996,988 1.376,989 11.04,990 4.278,991 6.698,992 7.994,993 0.479,994 12.56,995 6.401,996 10.357,997 1.312,998 12.778,999 3.543,1000 8.205,1001 9.848,1002 1.153,1003 15.149,1004 7.893,1005 11.741,1006 1.063,1007 14.541,1008 3.015,1009 8.933,1010 10.91,1011 0.346,1012 17.176,1013 8.548,1014 13.143,1015 1,1016 16.322,1017 2.527,1018 10.205,1019 12.559,1020 0.931,1021 19.594,1022 9.798,1023 3.178,1024 1,1025 18.117,1026 2.275,1027 11.128,1028 13.84,1029 0.237,1030 21.784,1031 10.658,1032 2.925,1033 10.679,1034 19.922,1035 2.275,1036 12.301,1037 15.402,1038 0.742,1039 24.142,1040 11.802,1041 2.765,1042 9.275,1043 21.737,1044 4.547,1045 13.323,1046 16.797,1047 0.158,1048 26.409,1049 12.769,1050 2.619,1051 8.968,1052 23.559,1053 3.614,1054 14.459,1055 18.324,1056 0.583,1057 28.75,1058 13.869,1059 2.551,1060 8.411,1061 25.387,1062 3.576,1063 15.531,1064 19.777,1065 0.104,1066 31.056,1067 14.892,1068 2.321,1069 7.154,1070 27.22,1071 3.117,1072 16.655,1073 21.291,1074 0.452,1075 33.396,1076 15.978,1077 2.125,1078 6.717,1079 29.058,1080 2.877,1081 17.755,1082 22.774,1083 0.068,1084 35.724,1085 17.032,1086 24321,1087 37836,1088 29.126,1089 50.955,1090 62.988,1091 64.764,1092 65.454,1093 63.249,1094 63.144,1095 76.178,1096 7.44,1097 179.291,1098 59.279,1099 5.607,1100 5.321,1101 6.301,1102 5.209,1103 5.178,1104 7.547,1105 1.72,1106 17.687,1107 5.043,1108 18.004,1109 1.465,1110 1.506,1111 1.522,1112 1.471,1113 1.468,1114 1.772,1115 0.173,1116 4.17,1117 1.379,1118 4.094,1119 4.13,1120 4.068,1121 3.981,1122 6.456,1123 3.997,1124 3.933,1125 3.982,1126 3.991,1127 3.874,1128 5.086,1129 3.864,1130 3.915,1131 3.949,1132 3.815,1133 3.78,1134 4.938,1135 3.779,1136 3.742,1137 3.802,1138 3.624,1139 3.596,1140 4.763,1141 3.591,1142 3.592,1143 3.653,1144 3.533,1145 3.431,1146 4.499,1147 3.426,1148 3.455,1149 3.502,1150 3.421,1151 3.252,1152 4.377,1153 3.278,1154 3.31,1155 3.378,1156 3.224,1157 3.102,1158 4.356,1159 3.094,1160 3.253,1161 3.318,1162 3.13,1163 2.987,1164 4.214,1165 2.999,1166 0.107,1167 0.077,1168 0.154,1169 0.096,1170 0.074,1171 4.607,1172 0.106,1173 3.321,1174 0.02,1175 6.622,1176 0.248,1177 4.133,1178 0.071,1179 3.178,1180 4.547,1181 0.86,1182 10.679,1183 3.043,1184 2.007,1185 1.984,1186 2.102,1187 2.144,1188 1.486,1189 2.127,1190 1.919,1191 1.893,1192 2.06,1193 2.064,1194 1.344,1195 2.07,1196 1.893,1197 1.836,1198 2.028,1199 1.996,1200 1.294,1201 2.016,1202 1.734,1203 1.676,1204 1.954,1205 1.91,1206 1.171,1207 1.927,1208 1.571,1209 1.509,1210 1.794,1211 1.764,1212 0.985,1213 1.777,1214 1.369,1215 1.327,1216 1.603,1217 1.624,1218 0.905,1219 1.614,1220 1.289,1221 1.219,1222 1.595,1223 1.544,1224 0.825,1225 1.561,1226 1.195,1227 1.122,1228 1.576,1229 1.525,1230 0.695,1231 1.54,1232 4.466,1233 5.778,1235 7.295,1237 8.905,1239 10.566,1241 3.293,1242 6.032,1246 9.647,1247 11.459,1248 3.577,1249 11.147,1251 0.978,1252 4.896,1257 47.561,1258 121.55,1259 275.76,1260 382.541,1261 434.489,1262 436.489,1263 438.489,1264 69.51,1265 8.622,1266 82.98,1267 82.98,1268 30,1269 12.865,1270 4.17,1271 3.248,1272 61.319,1273 198,1274 235,1275 0.144,1276 292.448,1277 508.52,1278 705.332,1279 76695,1280 1.3,1281 27.192,1282 0.697,1283 0.61,1284 27.692,1285 23.791,1286 19.072,1287 0.444,1288 0.337,1289 13.912,1290 17.991,1291 13.554,1292 11.189,1293 19.36,1294 14.473,1295 16.51,1296 0.28,1297 0.188,1298 16.918,1299 11.094,1300 14.441,1301 0.183,1302 0.106,1303 14.73,1304 8.361,1305 11.781,1306 0.116,1307 0.059,1308 11.948,1309 6.005,1310 10.122,1311 0.074,1312 0.033,1313 10.357,1314 4.523,1315 0.229,1316 122.963,1317 0.185,1318 35.492,1319 0.388,1320 204,1321 538.737,1322 237.595,1323 541.667,1324 737.84,1325 512,1326 240,1327 517.074,1328 269.501,1329 534.003,1330 784.1,1331 501,1332 6.745}
{0 CHEMBL50,1 1.516,2 7.909,3 1.504,4 2.261,5 75.428,6 9.445,7 0.5,8 3.653,9 3.689,10 3.355,11 3.153,12 5.103,13 3.218,14 4.032,15 4.068,16 3.775,17 3.526,18 5.509,19 3.594,20 4.365,21 4.421,22 3.954,23 3.633,24 6.023,25 3.716,26 4.422,27 4.517,28 3.873,29 3.534,30 6.107,31 3.61,32 4.282,33 4.39,34 3.634,35 3.406,36 5.853,37 3.461,38 4.126,39 4.237,40 3.499,41 3.263,42 5.787,43 3.306,44 3.986,45 4.108,46 3.344,47 3.087,48 5.728,49 3.127,50 3.824,51 3.947,52 2.987,53 2.808,54 5.451,55 2.845,56 0.345,57 0.385,58 4.328,59 2.984,60 53.135,61 2.053,62 0.381,63 0.581,64 5.027,65 4.56,66 53.625,67 3.695,68 0.881,69 0.76,70 10.022,71 5.938,72 127.752,73 4.657,74 1.143,75 0.783,76 14.195,77 6.214,78 149.904,79 5.501,80 0.944,81 0.685,82 12.853,83 5.449,84 133.42,85 4.508,86 0.817,87 0.59,88 10.793,89 4.732,90 129.32,91 4.314,92 0.708,93 0.512,94 9.733,95 4.15,96 117.464,97 4.112,98 0.623,99 0.422,100 8.482,101 3.367,102 103.425,103 2.735,104 37,105 36,106 0.281,107 0.568,108 0.723,109 0.858,110 0.916,111 0.927,112 3.148,113 0.765,114 -1.46,115 -1.54,116 -1.59,119 46.9,137 2,138 5,139 2,140 5,150 1,163 3,166 4,171 6,172 5,176 2,179 2,180 1,181 6,183 1,186 1,187 5,190 3,191 1,192 6,194 2,198 2,201 1,202 1,203 3,205 4,209 1,212 2,213 1,214 2,217 3,224 1,225 2,226 6,227 2,234 1,236 4,238 1,246 2,247 1,252 564,253 14.223,254 14.223,255 14.223,256 14.223,257 14.223,258 12.238,259 14.586,260 7.94,261 14.466,262 11.764,263 11.764,264 11.764,265 11.764,266 11.764,267 8.768,268 17.089,269 3.736,270 12.246,271 3.484,272 1.939,273 1.101,274 0.375,275 0.063,277 3.818,281 1,282 1,283 1,284 368,285 2.236,288 165.599,292 88.661,295 1.198,296 49.811,298 1,299 1,300 1,301 1,302 0.4,304 1,305 1,306 0.77,307 51,308 174,309 4.645,310 3.756,311 6.925,312 4.266,313 3.291,314 4.292,315 0.86,316 11.548,317 3.209,318 4.298,319 3.116,320 6.384,321 3.875,322 2.903,323 3.961,325 9.691,326 2.818,327 4.028,328 2.985,329 5.898,330 3.577,331 2.625,332 3.534,334 8.016,335 2.49,336 3.629,337 2.878,338 5.542,339 3.269,340 2.294,341 2.954,343 6.971,344 2.22,345 3.289,346 2.337,347 5.06,348 2.889,349 1.958,350 2.533,352 5.813,353 1.813,354 3.264,355 2.252,356 4.989,357 2.851,358 1.899,359 2.502,361 5.561,362 1.792,363 2.828,364 1.902,365 4.451,366 2.372,367 1.414,368 1.951,370 3.901,371 1.347,372 2.806,373 1.712,374 4.039,375 2.318,376 1.354,377 1.818,379 3.505,380 1.286,381 1.693,382 1.262,383 3.355,384 1.343,385 0.422,386 0.489,388 1.037,389 0.38,390 1.403,391 0.598,392 3.062,393 1.021,394 0.101,395 0.122,397 0.235,398 0.091,399 1.263,400 0.438,401 2.669,402 0.88,403 -0.095,404 -0.126,406 -0.248,407 -0.091,408 0.972,409 -0.047,410 2.542,411 0.578,412 -0.356,413 -0.448,415 -0.97,416 -0.328,417 0.726,418 -0.081,419 2.374,420 0.325,421 -0.588,422 -0.682,424 -1.442,425 -0.519,426 0.495,427 -0.379,428 2.129,429 0.161,430 -0.742,431 -0.925,433 -1.901,434 -0.672,435 0.132,436 -0.684,437 1.888,438 -0.233,439 -1.179,440 -1.414,442 -3.202,443 -1.084,444 9.833,445 0.447,446 0.792,447 0.036,448 31.5,449 1.432,450 17.5,451 0.795,452 14,453 0.636,454 13.685,455 0.622,456 23.767,457 0.743,458 25.318,459 1.151,460 6.521,461 0.296,462 3.859,463 0.175,464 0.203,466 0.508,472 1.065,473 0.746,474 0.762,475 0.708,476 1.049,477 0.614,478 0.775,479 1.184,480 0.566,481 1.147,482 0.678,483 0.881,484 0.974,485 1.157,486 0.872,487 1.139,488 0.9,489 1.015,490 0.959,491 1.013,492 0.944,493 1.01,494 0.906,495 0.983,496 1.184,497 0.942,498 1.157,499 0.943,500 1.163,501 1.002,502 0.945,503 0.989,504 1.049,505 1.004,506 1.065,507 1.057,508 0.823,509 1.052,510 0.966,511 1.069,512 0.866,513 1.088,514 1.34,515 1.117,516 1.461,517 1.139,518 1.426,519 1.289,520 5.5,521 0.012,522 3.333,523 2.375,524 2.133,525 0.931,526 0.669,527 0.311,528 0.197,529 0.117,530 4248,531 17512,532 1.991,533 31.3,535 5,538 5,542 1.65,543 1.784,544 2.989,545 2.779,547 1,548 1,550 48.526,551 1.516,552 3.061,553 3.899,554 4.625,555 4.938,556 5,557 2.461,558 3.971,559 4.433,560 3.105,561 717.251,562 7.641,563 7533.79,564 1,565 1,567 1,568 160,569 1.539,570 4.344,571 0.229,572 0.004,573 0.093,574 0.059,575 0.061,576 0.033,577 0.028,578 0.016,579 0.015,580 0.015,581 0.553,582 0.33,583 1,584 0.714,585 98.502,586 -0.264,587 0.28,588 -0.123,589 0.291,590 -0.286,591 0.208,592 -0.079,593 -0.165,594 0.043,595 -0.145,596 -0.041,597 -0.039,598 -0.028,599 -0.17,600 -0.071,601 -0.174,602 -0.02,603 -0.156,604 0.079,605 -0.049,606 0.04,607 -0.053,608 0.06,609 -0.037,610 -0.167,611 0.022,612 -0.163,613 0.019,614 -0.157,615 -0.039,616 0.03,617 -0.025,618 -0.056,619 -0.036,620 -0.019,621 -0.074,622 0.134,623 -0.095,624 0.069,625 -0.1,626 0.181,627 -0.069,628 -0.256,629 -0.174,630 -0.383,631 -0.194,632 -0.257,633 -0.302,634 2.554,635 5.143,636 0.727,637 14.364,638 1.053,639 1.111,640 0.233,641 0.054,642 0.687,643 3.219,644 3.611,645 3.912,646 4.19,647 4.443,648 4.564,649 4.644,650 4.7,651 4.779,652 4.7,653 4.84,654 0.707,655 302.25,656 3.219,657 4.796,658 5.673,659 6.583,660 7.478,661 8.392,662 9.294,663 10.21,664 11.115,665 12.031,681 5,686 7,688 12,690 1,700 4,701 1,703 32,705 14,706 2,707 24,709 34,710 15,711 12,712 7,713 5,714 3,717 3,718 4,729 15,733 2,737 1,741 3,743 1,744 1,747 10,748 7,749 5,750 7,760 0.667,761 7,776 3,780 1,788 2,794 1,796 2,805 22,809 5,812 1,825 21.9,827 5,828 1,830 1,832 12.333,833 5.5,834 4.694,835 1.59,836 2.665,837 1.382,838 0.863,839 3.385,840 9.639,841 3.497,842 4.174,843 4.775,844 5.342,845 5.885,846 6.199,847 6.495,848 6.845,849 7.183,850 7.402,851 1,852 40,853 8.199,854 3.841,855 8.553,856 14.235,857 11.784,859 3.053,860 67.167,864 58.856,865 69.373,868 249.562,871 69.373,872 308.417,876 47.381,877 248.939,878 22.614,880 58.856,882 58.856,883 69.373,884 249.562,887 58.856,888 249.562,892 64.129,893 5.243,895 58.856,896 249.562,897 69.373,900 58.856,901 21.991,902 47.381,904 249.562,905 58.856,906 249.562,907 69.373,909 0.607,910 0.367,911 0.192,912 0.105,913 19,914 10,915 0.029,916 1,917 1,918 1.125,919 3.207,920 181.861,921 0.125,922 16,923 98.107,928 14.556,929 5.116,930 2.375,932 249.562,933 5.641,938 -1.961,940 213.417,941 377.79,942 32,946 12.143,950 -1.919,952 33.709,953 35.542,954 0.303,955 0.612,956 0.78,957 0.925,958 0.988,959 1,960 4.771,961 1.354,962 5.714,963 3.901,964 4.29,965 4.86,966 0.908,967 6.594,968 4.212,969 6.037,970 0.422,971 7.33,972 3.505,973 4.111,974 4.879,976 7.615,977 3.985,978 7.389,979 0.101,980 9.041,981 1.037,982 5.964,983 7.126,984 0.739,985 10.749,986 5.828,987 8.772,988 -0.095,989 10.804,990 0.235,991 6.524,992 7.87,994 12.549,995 6.346,996 10.182,997 -0.356,998 12.6,999 -0.248,1000 7.926,1001 9.656,1002 0.593,1003 15.236,1004 7.739,1005 11.61,1006 -0.588,1007 14.419,1008 -0.97,1009 8.817,1010 10.739,1012 17.383,1013 8.596,1014 13.054,1015 -0.742,1016 16.255,1017 -1.442,1018 10.058,1019 12.335,1020 0.469,1021 19.908,1022 9.824,1023 3.291,1024 -1.179,1025 18.105,1026 -1.901,1027 11.101,1028 13.587,1030 22.212,1031 10.837,1032 2.903,1033 11.548,1034 19.967,1035 -3.202,1036 12.286,1037 15.096,1038 0.366,1039 24.677,1040 12.005,1041 2.625,1042 9.691,1043 21.838,1044 4.292,1045 13.397,1046 16.435,1048 27.052,1049 13.09,1050 2.294,1051 8.016,1052 23.717,1053 3.961,1054 14.567,1055 17.904,1056 0.283,1057 29.497,1058 14.239,1059 1.958,1060 6.971,1061 25.603,1062 3.534,1063 15.711,1064 19.29,1066 31.905,1067 15.358,1068 1.899,1069 5.813,1070 27.494,1071 2.954,1072 16.879,1073 20.741,1074 0.217,1075 34.344,1076 16.505,1077 1.414,1078 5.561,1079 29.39,1080 2.533,1081 18.04,1082 22.151,1084 36.769,1085 17.642,1086 4249,1087 8705,1088 15.145,1089 21.989,1090 37.1,1091 38.754,1092 39.411,1093 36.562,1094 36.524,1095 48.313,1096 1.72,1097 112.557,1098 34.892,1099 5.508,1100 5.756,1101 6.223,1102 5.363,1103 5.291,1104 7.292,1105 1.72,1106 19.201,1107 5.209,1108 13.755,1109 1.546,1110 1.615,1111 1.642,1112 1.523,1113 1.522,1114 2.013,1115 0.072,1116 4.69,1117 1.454,1118 4.028,1119 4.026,1120 4.006,1121 3.935,1122 7.429,1123 3.95,1124 3.863,1125 3.873,1126 3.822,1127 3.787,1128 6.531,1129 3.793,1130 3.485,1131 3.477,1132 3.452,1133 3.326,1134 6.492,1135 3.356,1136 3.068,1137 3.061,1138 3.024,1139 2.857,1140 6.459,1141 2.892,1142 2.936,1143 2.97,1144 2.829,1145 2.746,1146 6.445,1147 2.75,1148 2.892,1149 2.913,1150 2.783,1151 2.709,1152 6.402,1153 2.723,1154 2.782,1155 2.782,1156 2.706,1157 2.495,1158 4.754,1159 2.537,1160 2.592,1161 2.573,1162 2.508,1163 2.143,1164 4.443,1165 2.238,1166 0.194,1167 0.156,1168 0.289,1169 0.178,1170 0.137,1171 4.645,1172 0.179,1173 3.756,1174 0.036,1175 6.925,1176 0.481,1177 4.266,1178 0.134,1179 3.291,1180 4.292,1181 0.86,1182 11.548,1183 3.209,1184 1.952,1185 1.951,1186 2.007,1187 2.062,1188 1.125,1189 2.04,1190 1.835,1191 1.824,1192 1.911,1193 1.936,1194 1.02,1195 1.927,1196 1.383,1197 1.387,1198 1.447,1199 1.582,1200 0.483,1201 1.535,1202 0.938,1203 0.936,1204 1.14,1205 1.216,1206 0.16,1207 1.163,1208 0.883,1209 0.839,1210 1.091,1211 1.14,1212 0.095,1213 1.13,1214 0.815,1215 0.791,1216 1.001,1217 1.079,1218 0.023,1219 1.048,1220 0.613,1221 0.603,1222 0.836,1223 0.99,1225 0.935,1226 0.305,1227 0.319,1228 0.62,1229 0.829,1231 0.736,1232 3.892,1233 5.263,1235 6.836,1237 8.508,1239 10.23,1246 47.909,1249 5.353,1257 22.638,1258 48.526,1259 97.952,1260 124.781,1261 148,1262 158,1263 160,1264 63.985,1265 6.974,1266 131.36,1267 131.36,1268 18,1269 12.544,1270 3.907,1271 3.17,1272 34.277,1273 64,1274 64,1275 0.276,1276 137.03,1277 249.59,1278 326.113,1279 8350,1281 16.016,1282 0.728,1283 0.497,1284 16.016,1285 10.939,1286 10.38,1287 0.432,1288 0.255,1289 6.005,1290 9.868,1291 5.94,1292 4.863,1293 10.38,1294 6.123,1295 10.037,1296 0.279,1297 0.129,1298 10.037,1299 4.65,1300 8.612,1301 0.176,1302 0.065,1303 8.612,1304 3.173,1305 7.132,1306 0.11,1307 0.033,1308 7.132,1309 2.135,1310 5.547,1311 0.066,1312 0.017,1313 5.547,1314 1.41,1315 0.413,1316 66.56,1317 0.257,1318 21.023,1319 0.819,1320 120,1321 466.219,1322 136.83,1323 439.531,1324 577.37,1325 402,1326 145,1327 415.061,1328 162.607,1329 414.148,1330 610.53,1331 389,1332 4.5}
{0 CHEMBL508207,1 1.407,2 11.941,3 5.729,4 32.82,5 139.816,6 6.236,7 0.289,8 4.394,9 4.535,10 3.824,11 3.867,12 5.261,13 3.822,14 5.031,15 5.246,16 4.171,17 4.303,18 5.82,19 4.222,20 5.351,21 5.611,22 4.315,23 4.525,24 6.076,25 4.41,26 5.438,27 5.714,28 4.245,29 4.534,30 6.168,31 4.39,32 5.406,33 5.693,34 4.213,35 4.486,36 6.132,37 4.347,38 5.309,39 5.572,40 4.218,41 4.469,42 6.067,43 4.338,44 5.323,45 5.589,46 4.2,47 4.461,48 6.066,49 4.336,50 5.313,51 5.561,52 4.183,53 4.439,54 6.078,55 4.323,56 0.077,57 1.107,58 19.031,59 7.061,60 11.358,61 10.533,62 0.418,63 1.827,64 36.254,65 11.968,66 28.436,67 18.195,68 0.513,69 2.348,70 49.144,71 15.588,72 36.795,73 24.843,74 0.598,75 2.44,76 53.506,77 16.681,78 45.932,79 26.574,80 0.676,81 2.296,82 51.865,83 15.865,84 49.44,85 25.405,86 0.597,87 2.237,88 47.198,89 15.06,90 41.463,91 23.861,92 0.517,93 2.233,94 47.985,95 14.515,96 38.36,97 23.451,98 0.571,99 2.162,100 48.104,101 14.381,102 39.685,103 22.599,104 9,105 52,106 0.22,107 0.433,108 0.621,109 0.751,110 0.787,111 0.791,112 3.561,113 1.061,114 -5.5,115 -5.38,116 -5.02,119 36,121 11,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 3,172 8,175 1,176 6,181 3,183 6,186 2,187 10,190 2,192 3,194 6,197 2,198 3,201 1,205 6,208 4,209 8,212 1,214 2,217 10,220 1,221 7,227 6,231 16,234 1,238 6,242 9,249 4,252 2124,253 23.825,254 23.825,255 23.825,256 23.825,257 23.825,258 22.618,259 36.077,260 14.26,261 24.555,262 18.7,263 18.7,264 18.7,265 18.7,266 18.7,267 16.626,268 59.582,269 6.671,270 19.73,271 4.822,272 3.46,273 2.256,274 1.423,275 1.193,276 1.167,277 4.275,283 1,284 890,285 2.828,288 392.24,289 111.937,292 151.819,295 1.834,296 21.532,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 72.5,308 406,309 4.609,310 3.326,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.164,320 6.188,321 3.838,322 2.899,323 3.578,324 0.86,325 9.203,326 2.723,327 3.891,328 3.04,329 6.097,330 3.674,331 2.748,332 3.121,333 0.8,334 8.908,335 2.543,336 3.74,337 2.851,338 5.981,339 3.539,340 2.6,341 2.852,342 0.8,343 8.454,344 2.442,345 3.552,346 2.541,347 5.445,348 3.363,349 2.404,350 2.807,351 0.4,352 7.165,353 2.29,354 3.317,355 2.23,356 5.074,357 2.933,358 1.982,359 2.43,361 5.959,362 1.883,363 3,364 1.975,365 4.644,366 2.875,367 1.901,368 2.058,370 4.954,371 1.846,372 2.833,373 1.965,374 4.463,375 2.618,376 1.651,377 1.888,379 4.365,380 1.6,381 2.608,382 1.607,383 4.253,384 2.471,385 1.526,386 1.613,388 3.787,389 1.434,390 2.569,391 1.593,392 3.725,393 2.345,394 1.425,395 1.574,397 3.315,398 1.303,399 2.247,400 1.247,401 3.521,402 2.247,403 1.247,404 1.247,406 2.64,407 1.247,408 2.121,409 1.227,410 3.438,411 2.024,412 1.078,413 1.112,415 2.606,416 1.016,417 2,418 1.077,419 3.414,420 1.984,421 1,422 1,424 2.275,425 0.983,426 2,427 1.077,428 3.414,429 1.984,430 1,431 1,433 2.136,434 0.983,435 1.902,436 1.025,437 3.247,438 1.613,439 0.712,440 0.82,442 1.599,443 0.636,444 16.167,445 0.475,446 0.598,447 0.018,448 35,449 1.029,450 12,451 0.353,452 23,453 0.676,454 41.005,455 1.206,456 39.633,457 0.528,458 24.505,459 0.721,460 5.73,461 0.169,462 11.016,463 0.324,464 0.062,466 0.297,472 0.916,473 1.629,474 0.954,475 1.359,476 0.776,477 1.187,478 1.207,479 1.147,480 1.039,481 1.061,482 0.876,483 1.036,484 0.886,485 1.151,486 0.929,487 1.001,488 0.708,489 0.964,490 0.901,491 1.095,492 1.017,493 1.054,494 0.958,495 1.041,496 0.995,497 0.943,498 0.917,499 0.857,500 1.124,501 0.87,502 0.79,503 1.1,504 1.01,505 1.049,506 0.981,507 1.045,508 1.105,509 1.082,510 1.067,511 1.006,512 1.281,513 1.013,514 1.6,515 1.079,516 1.216,517 1.061,518 1.655,519 1.084,520 5.5,521 0.216,522 3.333,523 1.688,524 1.827,525 1.226,526 0.927,527 0.596,528 0.356,529 0.26,530 16755,531 29472,532 2.163,533 54.7,534 10,535 18,538 1,540 8,541 4,542 1.765,543 2.082,544 3.525,545 -0.392,550 105.51,551 1.407,552 2.769,553 3.972,554 4.806,555 5.035,556 5.062,557 2.94,558 4.558,559 5.054,560 3.72,561 2086.71,562 8.897,563 31532.1,568 467.161,569 1.166,570 5.043,571 0.145,572 0.006,573 0.064,574 0.029,575 0.035,576 0.024,577 0.018,578 0.012,579 0.007,580 0.006,581 0.345,582 0.17,583 0.63,584 0.631,585 180.758,586 0.031,587 -0.275,588 0.094,589 -0.112,590 0.148,591 -0.017,592 0.003,593 0.033,594 0.012,595 0.011,596 0.165,597 0.007,598 0.056,599 -0.07,600 0.075,601 0.016,602 0.192,603 0.046,604 0.044,605 -0.049,606 -0.019,607 -0.076,608 0.09,609 -0.058,610 0.051,611 0.058,612 0.084,613 0.1,614 0.038,615 0.097,616 0.12,617 -0.009,618 -0.007,619 -0.043,620 0.04,621 -0.041,622 -0.071,623 0.004,624 -0.05,625 -0.022,626 -0.154,627 -0.027,628 -0.192,629 0.004,630 -0.161,631 -0.075,632 -0.267,633 -0.105,634 0.955,635 2.111,636 0.853,637 39.322,638 0.988,639 1.138,640 4.271,641 18.24,642 0.622,643 3.664,644 3.97,645 4.277,646 4.554,647 4.852,648 5.017,649 5.193,650 5.371,651 5.553,652 5.659,653 7.226,654 0.574,655 467.73,656 3.664,657 5.198,658 6.057,659 6.932,660 7.809,661 8.695,662 9.581,663 10.473,664 11.364,665 12.261,666 6.7,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 75,705 11,706 1,707 38,709 79,710 27,711 8,712 4,713 2,717 5,718 6,724 13,727 13,729 8,730 19,747 41,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,776 4,777 1,780 1,792 1,796 4,801 2,805 34,810 15,811 1,812 2,814 2,815 2,825 2.7,830 2,832 16.333,833 13.717,834 7.639,835 5.217,836 2.339,837 1.28,838 0.968,839 8.083,840 10.683,841 3.795,842 4.311,843 4.879,844 5.461,845 6.082,846 6.503,847 6.927,848 7.33,849 7.703,850 7.794,851 0.875,852 59,853 12.69,854 5.344,855 7.343,856 25.726,857 22.033,859 1.843,860 62.667,864 470.844,865 96.452,866 57.83,868 22,871 96.452,872 492.844,873 57.83,874 21.766,875 36.303,876 18.952,877 51.582,878 43.452,879 4.227,880 470.844,882 470.844,883 154.283,884 22,887 329.591,888 163.253,891 43.47,892 59.231,893 51.582,895 470.844,896 79.83,897 96.452,900 470.844,901 55.734,902 46.967,903 18.011,904 55.571,905 470.844,906 79.83,907 96.452,909 0.569,910 0.342,911 0.19,912 0.108,913 25,914 10,915 0.076,916 6,917 1,918 1.069,919 4.468,920 330.288,921 0.069,922 29,923 158.974,928 24.088,929 11.408,930 5.632,931 1.922,932 79.83,933 4.025,934 10.13,938 3.209,940 18.011,941 647.127,942 43.5,952 74.068,953 85.384,954 0.226,955 0.445,956 0.638,957 0.772,958 0.808,959 0.813,960 5.055,961 1.651,962 6.019,963 4.954,964 4.654,965 4.997,966 1.824,967 6.821,968 4.55,969 6.197,970 1.526,971 7.565,972 4.365,973 4.111,974 4.783,975 0.57,976 7.687,977 3.928,978 7.483,979 1.425,980 9.212,981 3.787,982 6.232,983 7.122,984 1.426,985 10.799,986 6.022,987 8.805,988 1.247,989 10.921,990 3.315,991 6.553,992 7.825,993 0.479,994 12.497,995 6.255,996 10.168,997 1.078,998 12.669,999 2.64,1000 8.086,1001 9.651,1002 1.153,1003 15.101,1004 7.768,1005 11.558,1006 1,1007 14.444,1008 2.606,1009 8.819,1010 10.781,1011 0.346,1012 17.145,1013 8.423,1014 12.969,1015 1,1016 16.236,1017 2.275,1018 10.105,1019 12.414,1020 0.931,1021 19.571,1022 9.681,1023 3.184,1024 0.712,1025 18.042,1026 2.136,1027 11.04,1028 13.747,1029 0.237,1030 21.77,1031 10.552,1032 2.899,1033 10.706,1034 19.858,1035 1.599,1036 12.221,1037 15.304,1038 0.742,1039 24.134,1040 11.7,1041 2.748,1042 9.203,1043 21.682,1044 4.548,1045 13.255,1046 16.733,1047 0.158,1048 26.407,1049 12.679,1050 2.6,1051 8.908,1052 23.512,1053 3.578,1054 14.397,1055 18.261,1056 0.583,1057 28.753,1058 13.785,1059 2.404,1060 8.454,1061 25.347,1062 3.121,1063 15.479,1064 19.735,1065 0.104,1066 31.064,1067 14.82,1068 1.982,1069 7.165,1070 27.187,1071 2.852,1072 16.609,1073 21.252,1074 0.452,1075 33.408,1076 15.912,1077 1.901,1078 5.959,1079 29.03,1080 2.807,1081 17.716,1082 22.747,1083 0.068,1084 35.74,1085 16.976,1086 15639,1087 21005,1088 26.235,1089 46.643,1090 55.73,1091 56.641,1092 57.46,1093 55.776,1094 55.824,1095 64.511,1096 7.44,1097 157.999,1098 52.918,1099 5.609,1100 5.326,1101 6.43,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 11.249,1109 1.467,1110 1.491,1111 1.512,1112 1.468,1113 1.469,1114 1.698,1115 0.196,1116 4.158,1117 1.393,1118 4.096,1119 4.133,1120 4.065,1121 3.981,1122 5.085,1123 3.997,1124 3.91,1125 3.969,1126 3.797,1127 3.765,1128 4.763,1129 3.763,1130 3.849,1131 3.907,1132 3.708,1133 3.731,1134 4.499,1135 3.717,1136 3.717,1137 3.782,1138 3.591,1139 3.566,1140 4.384,1141 3.558,1142 3.503,1143 3.549,1144 3.418,1145 3.291,1146 4.331,1147 3.32,1148 3.319,1149 3.396,1150 3.172,1151 3.131,1152 4.168,1153 3.13,1154 3.278,1155 3.364,1156 3.057,1157 3.125,1158 4.075,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.967,1164 3.946,1165 2.977,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.609,1172 0.12,1173 3.326,1174 0.023,1175 6.628,1176 0.282,1177 4.139,1178 0.08,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.008,1185 1.985,1186 2.099,1187 2.144,1188 1.469,1189 2.126,1190 1.881,1191 1.82,1192 2.051,1193 2.056,1194 1.343,1195 2.063,1196 1.717,1197 1.658,1198 1.975,1199 1.896,1200 1.336,1201 1.919,1202 1.713,1203 1.649,1204 1.954,1205 1.883,1206 1.32,1207 1.912,1208 1.712,1209 1.647,1210 1.932,1211 1.873,1212 1.164,1213 1.901,1214 1.371,1215 1.331,1216 1.599,1217 1.636,1218 0.825,1219 1.62,1220 1.195,1221 1.121,1222 1.576,1223 1.525,1224 0.825,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.389,1230 0.689,1231 1.429,1232 4.344,1233 5.652,1235 7.166,1236 2.708,1237 8.776,1238 4.977,1239 10.44,1241 3.367,1247 18.728,1248 3.81,1249 11.194,1251 1.177,1252 5.104,1257 43.019,1258 105.51,1259 207.686,1260 297.934,1261 360.432,1262 377.652,1263 379.652,1264 51.429,1265 8.344,1266 62.75,1267 62.75,1268 31,1269 12.787,1270 3.585,1271 2.7,1272 49.719,1273 146,1274 164,1275 0.164,1276 260.124,1277 451.44,1278 626.462,1279 51150,1281 23.33,1282 0.686,1283 0.618,1284 23.33,1285 21.021,1286 16.746,1287 0.441,1288 0.354,1289 13.252,1290 16.06,1291 12.967,1292 10.737,1293 16.746,1294 13.442,1295 14.39,1296 0.277,1297 0.197,1298 14.39,1299 10.244,1300 12.728,1301 0.179,1302 0.113,1303 12.728,1304 8.04,1305 10.765,1306 0.115,1307 0.064,1308 10.765,1309 6.026,1310 9.177,1311 0.072,1312 0.036,1313 9.177,1314 4.561,1315 0.256,1316 105.08,1317 0.195,1318 31.253,1319 0.459,1320 180,1321 422.384,1322 196.969,1323 400.217,1324 565.7,1325 382,1326 213,1327 428.978,1328 231.58,1329 432.46,1330 640.22,1331 407,1332 7.441}
{0 CHEMBL509396,1 1.438,2 9,3 5.75,4 33.057,5 114.401,6 6.41,7 0.355,8 4.175,9 4.311,10 3.621,11 3.656,12 5.094,13 3.617,14 4.786,15 4.989,16 3.96,17 4.078,18 5.636,19 3.999,20 5.088,21 5.347,22 4.058,23 4.242,24 5.868,25 4.132,26 5.112,27 5.389,28 4,29 4.189,30 5.912,31 4.068,32 5.019,33 5.287,34 3.99,35 4.118,36 5.88,37 4.03,38 4.908,39 5.128,40 4.009,41 4.164,42 5.803,43 4.075,44 5.028,45 5.262,46 3.983,47 4.237,48 5.848,49 4.125,50 5.098,51 5.341,52 3.9,53 4.239,54 5.852,55 4.103,56 0.058,57 0.877,58 14.84,59 5.667,60 9.941,61 8.248,62 0.32,63 1.426,64 27.964,65 9.884,66 25.758,67 14.4,68 0.416,69 1.783,70 37.764,71 11.824,72 33.673,73 18.787,74 0.447,75 1.762,76 38.91,77 11.523,78 39.455,79 18.607,80 0.595,81 1.625,82 36.068,83 9.605,84 45.473,85 15.973,86 0.432,87 1.616,88 31.79,89 9.799,90 35.469,91 15.603,92 0.415,93 1.742,94 35.767,95 11.128,96 34.408,97 17.512,98 0.414,99 1.729,100 38.355,101 12.409,102 32.993,103 18.82,104 9,105 42,106 0.236,107 0.461,108 0.587,109 0.677,110 0.74,111 0.79,112 3.375,113 1.039,114 -5.22,115 -5.11,116 -4.78,119 36.7,121 10,124 2,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 9,165 1,166 5,169 3,171 5,172 9,175 1,176 5,181 5,183 6,186 1,187 8,190 1,191 1,192 5,194 2,197 2,198 6,201 1,203 1,205 4,208 1,209 4,212 2,214 4,217 10,221 4,224 1,226 4,227 10,231 8,236 2,238 8,242 8,249 8,252 1296,253 19.549,254 19.549,255 19.549,256 19.549,257 19.549,258 18.317,259 26.206,260 11.774,261 20.126,262 15.258,263 15.258,264 15.258,265 15.258,266 15.258,267 13.163,268 45.44,269 5.518,270 16.035,271 4.468,272 3.097,273 2.324,274 1.775,275 1.392,276 1.092,277 4.077,283 1,284 544,285 2.828,287 71.402,288 138.352,289 90.261,292 118.265,295 1.286,296 19.987,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 60,308 252,309 4.601,310 3.304,311 6.608,312 4.125,313 3.164,314 4.544,315 0.86,316 10.637,317 3.041,318 4.044,319 3.01,320 6.055,321 3.666,322 2.734,323 3.555,324 0.86,325 8.737,326 2.551,327 3.706,328 2.758,329 5.559,330 3.554,331 2.594,332 2.992,333 0.4,334 7.605,335 2.491,336 3.554,337 2.553,338 5.443,339 3.406,340 2.438,341 2.822,342 0.4,343 7.161,344 2.35,345 3.336,346 2.238,347 5.081,348 3.019,349 2.074,350 2.438,352 6.074,353 1.951,354 3.294,355 2.131,356 5.029,357 2.909,358 1.963,359 2.396,361 5.909,362 1.851,363 2.823,364 1.965,365 4.44,366 2.612,367 1.642,368 1.897,370 4.248,371 1.595,372 2.584,373 1.607,374 3.731,375 2.406,376 1.486,377 1.586,379 3.316,380 1.356,381 2.247,382 1.254,383 3.569,384 2.247,385 1.247,386 1.247,388 2.606,389 1.247,390 2.205,391 1.247,392 3.414,393 2.137,394 1.164,395 1.197,397 2.584,398 1.129,399 1.942,400 1.051,401 3.358,402 1.652,403 0.751,404 0.865,406 1.694,407 0.67,408 1.618,409 0.983,410 3,411 1.618,412 0.618,413 0.618,415 1.372,416 0.618,417 1.524,418 0.618,419 2.932,420 1.227,421 0.378,422 0.415,424 0.533,425 0.318,426 1.333,427 0.372,428 2.804,429 1.123,430 0.18,431 0.197,433 0.406,434 0.169,435 1.136,436 0.173,437 2.707,438 0.874,439 -0.049,440 -0.057,442 -0.113,443 -0.045,444 13.267,445 0.474,446 0.495,447 0.018,448 30.5,449 1.089,450 12,451 0.429,452 18.5,453 0.661,454 29.727,455 1.062,456 32.333,457 0.539,458 20.482,459 0.731,460 5.015,461 0.179,462 8.748,463 0.312,464 0.075,466 0.302,472 0.926,473 1.492,474 0.934,475 1.29,476 0.815,477 1.134,478 1.07,479 1.146,480 0.99,481 1.107,482 0.824,483 1.059,484 0.838,485 1.167,486 0.898,487 1.004,488 0.76,489 0.956,490 0.893,491 1.111,492 0.907,493 0.986,494 0.894,495 0.944,496 1.287,497 0.913,498 0.96,499 0.741,500 1.422,501 0.785,502 0.977,503 1.2,504 1.121,505 1.095,506 1.293,507 1.104,508 1.182,509 1.117,510 1.222,511 1.102,512 1.371,513 1.14,514 1.366,515 1.086,516 1.262,517 1.161,518 1.377,519 1.187,520 5,521 0.094,522 2,523 1.722,524 1.489,525 0.948,526 0.637,527 0.5,528 0.289,529 0.167,530 9201,531 17316,532 2.137,533 53.3,534 12,535 10,538 2,540 8,542 1.719,543 2.049,544 3.186,545 0.212,550 86.306,551 1.438,552 2.81,553 3.583,554 4.131,555 4.515,556 4.815,557 2.456,558 4.379,559 4.776,560 3.367,561 1272.77,562 8.355,563 16759.7,568 354.413,569 1.198,570 4.76,571 0.161,572 0.005,573 0.048,574 0.038,575 0.036,576 0.023,577 0.015,578 0.012,579 0.008,580 0.006,581 0.352,582 0.17,583 1,584 0.716,585 138.392,586 -0.007,587 -0.168,588 0.076,589 -0.069,590 0.101,591 0.005,592 0.051,593 0.003,594 0.026,595 -0.019,596 0.21,597 -0.012,598 0.083,599 -0.114,600 0.091,601 -0.007,602 0.175,603 0.039,604 0.08,605 -0.089,606 0.089,607 -0.037,608 0.144,609 0.018,610 -0.001,611 0.144,612 0.082,613 0.173,614 -0.051,615 0.145,616 0.036,617 -0.008,618 -0.103,619 -0.067,620 -0.101,621 -0.095,622 -0.148,623 0.027,624 -0.209,625 -0.09,626 -0.269,627 -0.142,628 -0.202,629 -0.028,630 -0.251,631 -0.152,632 -0.289,633 -0.195,634 0.971,635 2.023,636 0.786,637 26.429,638 0.991,639 1.137,640 3.991,641 15.927,642 0.627,643 3.466,644 3.761,645 4.043,646 4.331,647 4.564,648 4.762,649 4.898,650 5.075,651 5.215,652 5.236,653 5.973,654 0.582,655 384.58,656 3.466,657 4.99,658 5.838,659 6.711,660 7.578,661 8.462,662 9.34,663 10.231,664 11.116,665 12.012,666 6.7,671 2,676 2,680 2,681 2,682 2,686 4,688 11,697 2,701 2,703 60,705 11,706 1,707 31,709 63,710 22,711 8,712 4,713 2,717 4,718 5,724 12,727 12,729 8,730 14,747 32,748 6,749 2,750 6,755 4,760 0.75,761 2,771 1,775 1,776 2,777 1,780 1,796 3,801 2,805 28,810 10,811 2,812 2,814 2,825 3.3,830 2,832 13.667,833 11.067,834 6.333,835 4.096,836 2.362,837 1.311,838 0.964,839 6.533,840 9.952,841 3.624,842 4.167,843 4.749,844 5.365,845 5.985,846 6.413,847 6.819,848 7.22,849 7.563,850 7.582,851 0.833,852 45,853 10.419,854 4.365,855 7.417,856 20.862,857 17.601,859 1.917,860 53.667,864 353.133,865 85.495,866 69.593,868 22,871 85.495,872 375.133,873 69.593,874 21.766,875 25.345,876 18.952,877 69.593,878 37.204,879 4.227,880 353.133,882 353.133,883 155.087,884 22,887 258.964,888 116.169,891 29.389,892 56.106,893 69.593,895 353.133,896 91.592,897 85.495,900 353.133,901 44.776,902 40.719,903 36.022,904 55.571,905 353.133,906 91.592,907 85.495,909 0.565,910 0.335,911 0.19,912 0.101,913 20,914 8,915 0.095,916 6,917 1,918 1.091,919 3.946,920 248.864,921 0.091,922 22,923 124.606,928 19.72,929 9.275,930 4.714,931 1.864,932 91.592,933 3.945,934 9.688,938 3.015,940 36.022,941 530.22,942 36.5,952 59.432,953 68.225,954 0.244,955 0.476,956 0.607,957 0.699,958 0.764,959 0.815,960 4.866,961 1.486,962 5.796,963 4.248,964 4.443,965 4.852,966 1.526,967 6.583,968 4.348,969 6.021,970 1.247,971 7.33,972 3.316,973 3.892,974 4.677,976 7.402,977 3.738,978 7.312,979 1.164,980 8.963,981 2.606,982 6.004,983 7.031,984 1.191,985 10.518,986 5.82,987 8.642,988 0.751,989 10.655,990 2.584,991 6.312,992 7.754,994 12.177,995 6.066,996 10.011,997 0.618,998 12.388,999 1.694,1000 7.83,1001 9.593,1002 0.969,1003 14.792,1004 7.558,1005 11.405,1006 0.378,1007 14.147,1008 1.372,1009 8.555,1010 10.733,1012 16.823,1013 8.228,1014 12.821,1015 0.18,1016 15.926,1017 0.533,1018 9.829,1019 12.376,1020 0.788,1021 19.265,1022 9.472,1023 3.164,1024 -0.049,1025 17.72,1026 0.406,1027 10.763,1028 13.715,1030 21.47,1031 10.357,1032 2.734,1033 10.637,1034 19.527,1035 -0.113,1036 11.939,1037 15.278,1038 0.634,1039 23.851,1040 11.5,1041 2.594,1042 8.737,1043 21.344,1044 4.544,1045 12.974,1046 16.71,1048 26.137,1049 12.491,1050 2.438,1051 7.605,1052 23.17,1053 3.555,1054 14.115,1055 18.241,1056 0.504,1057 28.499,1058 13.598,1059 2.074,1060 7.161,1061 25.003,1062 2.992,1063 15.201,1064 19.716,1066 30.823,1067 14.643,1068 1.963,1069 6.074,1070 26.843,1071 2.822,1072 16.333,1073 21.234,1074 0.395,1075 33.18,1076 15.74,1077 1.642,1078 5.909,1079 28.688,1080 2.438,1081 17.445,1082 22.729,1084 35.523,1085 16.813,1086 8775,1087 12248,1088 21.266,1089 37.591,1090 44.655,1091 45.649,1092 46.175,1093 44.849,1094 44.87,1095 53.539,1096 5.04,1097 125.767,1098 42.675,1099 5.551,1100 5.304,1101 6.406,1102 5.204,1103 5.164,1104 7.544,1105 1.72,1106 17.671,1107 5.041,1108 9.81,1109 1.44,1110 1.473,1111 1.49,1112 1.447,1113 1.447,1114 1.727,1115 0.163,1116 4.057,1117 1.377,1118 4.087,1119 4.121,1120 4.059,1121 3.977,1122 5.092,1123 3.993,1124 3.858,1125 3.915,1126 3.729,1127 3.744,1128 4.773,1129 3.732,1130 3.848,1131 3.906,1132 3.707,1133 3.73,1134 4.499,1135 3.716,1136 3.527,1137 3.57,1138 3.464,1139 3.304,1140 4.345,1141 3.338,1142 3.327,1143 3.407,1144 3.179,1145 3.136,1146 4.301,1147 3.135,1148 3.278,1149 3.364,1150 3.057,1151 3.125,1152 4.083,1153 3.097,1154 3.248,1155 3.315,1156 3.056,1157 2.967,1158 4.02,1159 2.976,1160 3.151,1161 3.237,1162 2.982,1163 2.897,1164 3.693,1165 2.904,1166 0.148,1167 0.107,1168 0.213,1169 0.133,1170 0.102,1171 4.601,1172 0.147,1173 3.304,1174 0.028,1175 6.608,1176 0.343,1177 4.125,1178 0.098,1179 3.164,1180 4.544,1181 0.86,1182 10.637,1183 3.041,1184 2.003,1185 1.981,1186 2.057,1187 2.131,1188 1.342,1189 2.109,1190 1.717,1191 1.658,1192 1.975,1193 1.885,1194 1.336,1195 1.912,1196 1.712,1197 1.647,1198 1.938,1199 1.873,1200 1.216,1201 1.906,1202 1.616,1203 1.554,1204 1.86,1205 1.814,1206 1.211,1207 1.821,1208 1.577,1209 1.507,1210 1.835,1211 1.751,1212 1.157,1213 1.793,1214 1.356,1215 1.314,1216 1.597,1217 1.618,1218 0.606,1219 1.609,1220 1.194,1221 1.12,1222 1.576,1223 1.525,1224 0.575,1225 1.54,1226 1.072,1227 0.98,1228 1.342,1229 1.332,1230 0.528,1231 1.353,1232 4.143,1233 5.442,1234 2.398,1235 6.93,1236 4.595,1237 8.519,1238 6.503,1239 10.169,1241 3.326,1247 12.582,1248 7.285,1249 11.021,1251 0.941,1257 34.89,1258 86.306,1259 168.588,1260 214.955,1261 247.884,1262 270.904,1263 288.904,1264 41.794,1265 7.59,1266 68.3,1267 68.3,1268 24,1269 12.539,1270 3.585,1271 2.7,1272 41.992,1273 97,1274 92,1275 0.207,1276 212.761,1277 366.3,1278 510.897,1279 19286,1281 19.347,1282 0.691,1283 0.61,1284 19.347,1285 17.091,1286 13.763,1287 0.444,1288 0.346,1289 10.585,1290 13.211,1291 10.344,1292 8.623,1293 13.763,1294 10.734,1295 11.809,1296 0.281,1297 0.192,1298 11.809,1299 8.079,1300 10.131,1301 0.181,1302 0.109,1303 10.131,1304 6.085,1305 8.675,1306 0.116,1307 0.06,1308 8.675,1309 4.5,1310 6.831,1311 0.072,1312 0.03,1313 6.831,1314 2.841,1315 0.315,1316 86.44,1317 0.217,1318 26.332,1319 0.599,1320 146,1321 363.427,1322 160.194,1323 344.88,1324 484.88,1325 328,1326 171,1327 366.668,1328 185.583,1329 370.582,1330 545.35,1331 348,1332 7.886}
{0 CHEMBL510375,1 1.435,2 10.355,3 5.384,4 28.993,5 127.44,6 6.289,7 0.324,8 4.294,9 4.435,10 3.725,11 3.744,12 5.204,13 3.705,14 4.911,15 5.132,16 4.071,17 4.155,18 5.738,19 4.087,20 5.195,21 5.444,22 4.223,23 4.389,24 5.981,25 4.291,26 5.317,27 5.585,28 4.153,29 4.422,30 6.091,31 4.282,32 5.313,33 5.611,34 4.103,35 4.342,36 6.073,37 4.206,38 5.12,39 5.374,40 4.12,41 4.297,42 5.925,43 4.193,44 5.142,45 5.378,46 4.138,47 4.34,48 5.974,49 4.238,50 5.235,51 5.479,52 4.088,53 4.36,54 6.016,55 4.245,56 0.063,57 0.997,58 17.12,59 6.156,60 11.424,61 9.288,62 0.407,63 1.595,64 32.253,65 10.052,66 28.544,67 15.54,68 0.507,69 2.036,70 42.354,71 13.038,72 35.491,73 20.856,74 0.486,75 2.155,76 47.432,77 14.788,78 43.847,79 23.615,80 0.734,81 2.013,82 47.65,83 13.651,84 53.977,85 22.261,86 0.503,87 1.874,88 39.299,89 11.823,90 36.908,91 19.223,92 0.467,93 1.949,94 40.44,95 12.126,96 38.757,97 19.492,98 0.543,99 1.974,100 44.632,101 13.089,102 39.909,103 20.659,104 26,105 47,106 0.229,107 0.473,108 0.681,109 0.75,110 0.773,111 0.778,112 3.472,113 1.039,114 -4.89,115 -4.79,116 -4.5,119 35.3,120 2,121 6,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 6,165 3,166 7,169 1,171 3,172 7,175 2,176 5,181 3,183 6,186 1,187 6,190 2,192 3,194 2,197 4,198 5,201 1,205 4,208 2,209 6,212 1,217 6,220 1,221 12,224 1,227 4,231 9,238 2,241 1,242 6,247 2,249 4,252 1690,253 21.256,254 21.256,255 21.256,256 21.256,257 21.256,258 20.049,259 31.988,260 12.543,261 22.006,262 16.68,263 16.68,264 16.68,265 16.68,266 16.68,267 14.605,268 52.511,269 5.816,270 17.723,271 4.653,272 3.125,273 1.824,274 1.397,275 1.25,276 1.221,277 4.171,282 1,283 1,284 685,285 3.24,288 251.482,289 101.283,292 135.842,295 1.592,296 21.454,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 66.5,308 321,309 4.609,310 3.328,311 6.628,312 4.139,313 3.183,314 4.548,315 0.86,316 10.706,317 3.048,318 4.086,319 3.161,320 6.153,321 3.781,322 2.857,323 3.578,324 0.86,325 9.095,326 2.634,327 3.856,328 2.988,329 6.01,330 3.635,331 2.703,332 3.119,333 0.8,334 8.538,335 2.522,336 3.66,337 2.811,338 5.876,339 3.504,340 2.565,341 2.842,342 0.8,343 8.033,344 2.411,345 3.547,346 2.536,347 5.445,348 3.35,349 2.393,350 2.705,351 0.4,352 7.164,353 2.272,354 3.316,355 2.229,356 5.074,357 2.928,358 1.979,359 2.429,361 5.958,362 1.873,363 2.903,364 1.965,365 4.574,366 2.627,367 1.67,368 1.988,370 4.635,371 1.605,372 2.722,373 1.722,374 4.354,375 2.554,376 1.595,377 1.752,379 4.028,380 1.521,381 2.581,382 1.607,383 3.764,384 2.387,385 1.47,386 1.584,388 3.316,389 1.339,390 2.247,391 1.308,392 3.715,393 2.247,394 1.247,395 1.247,397 2.755,398 1.247,399 2.173,400 1.247,401 3.444,402 2.034,403 1.105,404 1.16,406 2.606,407 1.022,408 2,409 1.146,410 3.414,411 1.967,412 1,413 1,415 2.275,416 0.965,417 1.899,418 1.026,419 3.414,420 1.61,421 0.709,422 0.817,424 1.591,425 0.634,426 1.52,427 0.977,428 2.931,429 1.225,430 0.377,431 0.413,433 0.531,434 0.317,435 1.33,436 0.37,437 2.789,438 1.121,439 0.179,440 0.197,442 0.397,443 0.167,444 14.667,445 0.473,446 0.674,447 0.022,448 33,449 1.065,450 12,451 0.387,452 21,453 0.677,454 35.565,455 1.147,456 36.333,457 0.534,458 23.823,459 0.768,460 5.744,461 0.185,462 9.34,463 0.301,464 0.136,466 0.327,472 0.928,473 1.7,474 0.95,475 1.401,476 0.864,477 1.207,478 1.24,479 1.099,480 0.98,481 0.979,482 0.869,483 0.952,484 0.943,485 1.111,486 0.956,487 0.981,488 0.779,489 0.958,490 0.837,491 1.224,492 1.019,493 1.158,494 0.976,495 1.112,496 0.983,497 0.836,498 0.873,499 0.767,500 1.114,501 0.795,502 0.88,503 1.123,504 0.977,505 0.993,506 1.015,507 0.983,508 1.169,509 1.177,510 1.172,511 1.118,512 1.372,513 1.125,514 1.633,515 1.072,516 1.288,517 1.089,518 1.655,519 1.13,520 6,521 0.233,522 3.333,523 1.75,524 1.956,525 1.212,526 0.849,527 0.612,528 0.401,529 0.269,530 11861,531 22306,532 2.084,533 54.4,534 8,535 18,538 1,540 10,542 1.744,543 1.958,544 3.349,545 -0.361,550 97.549,551 1.435,552 2.963,553 4.263,554 4.69,555 4.837,556 4.867,557 2.759,558 4.503,559 4.92,560 3.54,561 1646.07,562 8.643,563 23110.3,568 413.947,569 1.383,570 4.888,571 0.176,572 0.009,573 0.071,574 0.032,575 0.042,576 0.026,577 0.018,578 0.013,579 0.009,580 0.007,581 0.404,582 0.17,583 1,584 0.867,585 158.936,586 0.023,587 -0.334,588 0.089,589 -0.151,590 0.071,591 -0.041,592 0.002,593 0.071,594 0.072,595 0.073,596 0.181,597 0.074,598 0.043,599 0.008,600 0.057,601 0.045,602 0.151,603 0.056,604 0.05,605 -0.17,606 -0.032,607 -0.152,608 0.064,609 -0.11,610 0.088,611 0.136,612 0.13,613 0.154,614 0.048,615 0.147,616 0.073,617 -0.005,618 0.034,619 0.018,620 0.003,621 0.023,622 -0.094,623 -0.009,624 -0.14,625 -0.092,626 -0.186,627 -0.113,628 -0.261,629 0.021,630 -0.236,631 -0.094,632 -0.341,633 -0.147,634 0.968,635 2.066,636 0.742,637 31.919,638 0.99,639 1.14,640 3.658,641 13.378,642 0.619,643 3.555,644 3.871,645 4.159,646 4.419,647 4.718,648 4.92,649 5.075,650 5.231,651 5.421,652 5.493,653 6.518,654 0.573,655 427.66,656 3.555,657 5.094,658 5.948,659 6.825,660 7.701,661 8.589,662 9.475,663 10.369,664 11.261,665 12.16,666 7.4,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 68,705 11,706 1,707 34,709 71,710 24,711 8,712 4,713 2,717 4,718 5,721 2,724 7,727 8,729 8,730 16,747 37,748 7,749 1,750 7,755 5,760 0.75,761 2,771 1,776 3,777 1,780 1,792 1,796 3,801 4,805 31,810 10,811 1,812 2,814 2,815 2,825 2.9,830 2,832 15.833,833 13.217,834 6.972,835 4.55,836 2.354,837 1.299,838 0.949,839 7.519,840 10.236,841 3.701,842 4.241,843 4.816,844 5.408,845 6.044,846 6.482,847 6.908,848 7.308,849 7.682,850 7.756,851 0.857,852 54,853 11.53,854 4.77,855 7.409,856 23.058,857 19.176,859 1.909,860 59.167,864 423.76,865 101.43,866 57.83,868 22,871 101.43,872 445.759,873 57.83,874 39.417,875 23.63,876 18.952,877 51.582,878 43.452,879 4.227,880 423.76,882 423.76,883 159.26,884 22,887 306.049,888 139.711,891 48.448,892 59.231,893 51.582,895 423.76,896 79.83,897 101.43,900 423.76,901 43.061,902 64.618,903 18.011,904 55.571,905 423.76,906 79.83,907 101.43,909 0.574,910 0.342,911 0.182,912 0.104,913 22,914 10,915 0.085,916 6,917 1,918 1.087,919 4.104,920 287.635,921 0.087,922 23,923 141.58,928 22.566,929 10.329,930 5.241,931 1.886,932 79.83,933 3.982,934 9.985,938 3.129,940 18.011,941 605.02,942 39.5,952 67.301,953 77.554,954 0.236,955 0.487,956 0.7,957 0.77,958 0.795,959 0.799,960 4.961,961 1.595,962 5.927,963 4.635,964 4.554,965 4.927,966 1.824,967 6.737,968 4.438,969 6.125,970 1.47,971 7.485,972 4.028,973 4.111,974 4.783,975 0.57,976 7.63,977 3.928,978 7.422,979 1.247,980 9.142,981 3.316,982 6.146,983 7.088,984 1.426,985 10.72,986 5.917,987 8.754,988 1.105,989 10.857,990 2.755,991 6.524,992 7.817,993 0.479,994 12.417,995 6.22,996 10.123,997 1,998 12.608,999 2.606,1000 8.01,1001 9.636,1002 1.153,1003 15.016,1004 7.67,1005 11.518,1006 0.709,1007 14.383,1008 2.275,1009 8.773,1010 10.774,1011 0.346,1012 17.056,1013 8.365,1014 12.933,1015 0.377,1016 16.175,1017 1.591,1018 10.034,1019 12.407,1020 0.931,1021 19.484,1022 9.589,1023 3.183,1024 0.179,1025 17.979,1026 0.531,1027 10.983,1028 13.743,1029 0.237,1030 21.684,1031 10.481,1032 2.857,1033 10.706,1034 19.793,1035 0.397,1036 12.154,1037 15.301,1038 0.742,1039 24.052,1040 11.613,1041 2.703,1042 9.095,1043 21.615,1044 4.548,1045 13.194,1046 16.731,1047 0.158,1048 26.329,1049 12.604,1050 2.565,1051 8.538,1052 23.443,1053 3.578,1054 14.331,1055 18.26,1056 0.583,1057 28.681,1058 13.703,1059 2.393,1060 8.033,1061 25.276,1062 3.119,1063 15.417,1064 19.734,1065 0.104,1066 30.998,1067 14.745,1068 1.979,1069 7.164,1070 27.114,1071 2.842,1072 16.546,1073 21.252,1074 0.452,1075 33.349,1076 15.836,1077 1.67,1078 5.958,1079 28.957,1080 2.705,1081 17.656,1082 22.746,1083 0.068,1084 35.687,1085 16.905,1086 11474,1087 15973,1088 22.77,1089 42.12,1090 50.043,1091 50.978,1092 52.233,1093 49.986,1094 50.066,1095 58.755,1096 7.44,1097 143.254,1098 47.153,1099 5.609,1100 5.328,1101 6.426,1102 5.217,1103 5.183,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 15.095,1109 1.472,1110 1.499,1111 1.536,1112 1.47,1113 1.473,1114 1.728,1115 0.219,1116 4.213,1117 1.387,1118 4.092,1119 4.128,1120 4.064,1121 3.978,1122 5.085,1123 3.995,1124 3.85,1125 3.912,1126 3.736,1127 3.735,1128 4.764,1129 3.721,1130 3.841,1131 3.905,1132 3.707,1133 3.656,1134 4.499,1135 3.664,1136 3.565,1137 3.626,1138 3.481,1139 3.368,1140 4.386,1141 3.38,1142 3.445,1143 3.512,1144 3.29,1145 3.252,1146 4.328,1147 3.257,1148 3.304,1149 3.378,1150 3.145,1151 3.125,1152 4.112,1153 3.11,1154 3.278,1155 3.364,1156 3.057,1157 3.112,1158 4.068,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.963,1164 3.903,1165 2.972,1166 0.136,1167 0.098,1168 0.195,1169 0.122,1170 0.094,1171 4.609,1172 0.134,1173 3.328,1174 0.025,1175 6.628,1176 0.315,1177 4.139,1178 0.09,1179 3.183,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.006,1185 1.984,1186 2.067,1187 2.142,1188 1.344,1189 2.12,1190 1.796,1191 1.727,1192 2.002,1193 2.005,1194 1.336,1195 2.008,1196 1.717,1197 1.658,1198 1.975,1199 1.884,1200 1.322,1201 1.912,1202 1.712,1203 1.647,1204 1.937,1205 1.873,1206 1.164,1207 1.905,1208 1.526,1209 1.454,1210 1.806,1211 1.744,1212 1.023,1213 1.765,1214 1.342,1215 1.295,1216 1.595,1217 1.609,1218 0.825,1219 1.604,1220 1.194,1221 1.12,1222 1.576,1223 1.525,1224 0.606,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.376,1230 0.575,1231 1.429,1232 4.234,1233 5.549,1235 7.062,1236 2.708,1237 8.671,1238 4.977,1239 10.336,1241 7.861,1247 11.58,1248 3.775,1249 11.116,1251 1.031,1252 4.823,1257 38.965,1258 97.549,1259 201.464,1260 289.908,1261 318.928,1262 328.928,1263 330.928,1264 48.469,1265 7.882,1266 62.75,1267 62.75,1268 25,1269 12.684,1270 3.585,1271 2.7,1272 48.999,1273 118,1274 130,1275 0.2,1276 238.74,1277 411.9,1278 574.286,1279 27404,1281 21.794,1282 0.703,1283 0.629,1284 21.794,1285 19.486,1286 15.084,1287 0.444,1288 0.346,1289 11.591,1290 14.39,1291 11.222,1292 9.366,1293 15.084,1294 11.78,1295 13.236,1296 0.282,1297 0.192,1298 13.236,1299 9.046,1300 11.355,1301 0.18,1302 0.107,1303 11.355,1304 6.713,1305 9.354,1306 0.114,1307 0.058,1308 9.354,1309 4.75,1310 7.844,1311 0.071,1312 0.03,1313 7.844,1314 3.375,1315 0.308,1316 95.11,1317 0.21,1318 28.703,1319 0.573,1320 162,1321 404.384,1322 178.969,1323 382.535,1324 537.78,1325 364,1326 191,1327 406.978,1328 209.302,1329 411.032,1330 605.8,1331 385,1332 6.419}
{0 CHEMBL515355,1 1.365,2 11.941,3 6.458,4 41.708,5 136.711,6 6.141,7 0.289,8 4.4,9 4.538,10 3.815,11 3.898,12 5.252,13 3.843,14 5.041,15 5.251,16 4.163,17 4.342,18 5.808,19 4.249,20 5.382,21 5.644,22 4.312,23 4.562,24 6.092,25 4.436,26 5.461,27 5.739,28 4.241,29 4.565,30 6.175,31 4.412,32 5.425,33 5.713,34 4.208,35 4.52,36 6.144,37 4.372,38 5.321,39 5.577,40 4.205,41 4.52,42 6.047,43 4.375,44 5.369,45 5.636,46 4.197,47 4.519,48 6.089,49 4.378,50 5.359,51 5.609,52 4.18,53 4.491,54 6.092,55 4.358,56 0.085,57 1.1,58 19.295,59 7.549,60 11.497,61 10.996,62 0.339,63 1.847,64 36.446,65 12.873,66 26.033,67 19.206,68 0.507,69 2.421,70 50.385,71 16.798,72 37.497,73 26.218,74 0.538,75 2.519,76 54.368,77 17.536,78 44.922,79 27.689,80 0.723,81 2.365,82 52.516,83 17.035,84 50.843,85 26.439,86 0.433,87 2.282,88 47.1,89 16.702,90 36.298,91 25.52,92 0.468,93 2.332,94 49.719,95 16.541,96 38.182,97 25.586,98 0.512,99 2.249,100 49.766,101 16.181,102 38.391,103 24.664,104 9,105 52,106 0.213,107 0.419,108 0.589,109 0.7,110 0.762,111 0.794,112 3.561,113 1.081,114 -5.78,115 -5.65,116 -5.26,119 36.8,121 13,122 1,124 2,125 2,127 2,138 2,139 1,140 2,142 1,143 1,145 1,163 12,165 1,166 11,169 1,171 3,172 11,175 1,176 12,181 3,183 8,186 1,187 5,190 1,192 4,194 8,197 4,198 2,201 1,203 2,205 15,208 1,209 5,212 1,217 14,221 13,224 1,227 11,231 13,238 8,241 1,242 8,247 2,249 8,252 2124,253 23.825,254 23.825,255 23.825,256 23.825,257 23.825,258 22.618,259 31.249,260 14.26,261 24.442,262 18.7,263 18.7,264 18.7,265 18.7,266 18.7,267 16.626,268 47.455,269 6.671,270 19.537,271 4.883,272 3.556,273 2.465,274 1.757,275 1.356,276 1.151,277 4.275,283 1,284 890,285 2.828,288 392.24,289 111.937,292 151.819,295 1.834,296 21.263,299 0.75,300 0.67,301 1,302 1,303 1,304 1,305 1,306 0.92,307 72,308 406,309 4.609,310 3.328,311 6.628,312 4.146,313 3.184,314 4.548,315 0.86,316 10.706,317 3.062,318 4.088,319 3.16,320 6.188,321 3.852,322 2.899,323 3.578,324 0.86,325 9.203,326 2.77,327 3.891,328 3.032,329 6.097,330 3.69,331 2.748,332 3.121,333 0.8,334 8.908,335 2.594,336 3.74,337 2.816,338 5.981,339 3.563,340 2.6,341 2.852,342 0.4,343 8.454,344 2.495,345 3.552,346 2.529,347 5.445,348 3.374,349 2.404,350 2.807,352 7.165,353 2.321,354 3.317,355 2.229,356 5.074,357 2.933,358 1.982,359 2.43,361 5.959,362 1.881,363 3,364 2.002,365 4.644,366 2.867,367 1.901,368 2.058,370 4.954,371 1.83,372 2.833,373 1.965,374 4.463,375 2.619,376 1.651,377 1.888,379 4.365,380 1.6,381 2.608,382 1.607,383 4.253,384 2.483,385 1.526,386 1.613,388 3.787,389 1.456,390 2.569,391 1.511,392 3.725,393 2.356,394 1.425,395 1.574,397 3.315,398 1.315,399 2.247,400 1.247,401 3.521,402 2.247,403 1.247,404 1.247,406 2.64,407 1.247,408 2.121,409 1.193,410 3.438,411 2.04,412 1.078,413 1.112,415 2.606,416 1.033,417 2,418 1.077,419 3.414,420 2,421 1,422 1,424 2.275,425 1,426 2,427 1.01,428 3.414,429 1.984,430 1,431 1,433 2.136,434 0.983,435 1.902,436 1,437 3.247,438 1.616,439 0.712,440 0.82,442 1.599,443 0.638,444 16.267,445 0.478,446 0.598,447 0.018,448 33.75,449 0.993,450 11.5,451 0.338,452 22.25,453 0.654,454 42.758,455 1.258,456 39.533,457 0.52,458 22.752,459 0.669,460 5.21,461 0.153,462 11.536,463 0.339,464 0.061,466 0.301,472 0.898,473 1.513,474 0.976,475 1.315,476 0.778,477 1.176,478 1.184,479 1.219,480 1.049,481 1.113,482 0.884,483 1.077,484 0.862,485 1.123,486 0.933,487 0.993,488 0.732,489 0.964,490 0.925,491 1.131,492 1.018,493 1.052,494 0.96,495 1.036,496 0.994,497 0.822,498 0.934,499 0.816,500 1.121,501 0.855,502 0.715,503 1.177,504 1.007,505 1.123,506 0.938,507 1.094,508 1.068,509 1.045,510 1.059,511 1.024,512 1.299,513 1.028,514 1.539,515 1.102,516 1.178,517 1.081,518 1.603,519 1.088,520 5.5,521 0.216,522 3.333,523 1.688,524 1.827,525 1.226,526 0.927,527 0.596,528 0.356,529 0.26,530 16755,531 28440,532 2.163,533 55.3,534 14,535 14,538 1,539 1,540 12,542 1.765,543 2.082,544 3.525,545 -0.421,550 103.759,551 1.365,552 2.692,553 3.782,554 4.49,555 4.892,556 5.096,557 2.94,558 4.558,559 5.054,560 3.72,561 2086.71,562 8.897,563 31532.1,568 474.842,569 1.166,570 5.043,571 0.145,572 0.006,573 0.064,574 0.029,575 0.035,576 0.024,577 0.018,578 0.012,579 0.007,580 0.006,581 0.345,582 0.33,583 0.63,584 0.631,585 180.758,586 0.034,587 -0.18,588 0.088,589 -0.067,590 0.151,591 0.005,592 -0.02,593 -0.05,594 0.002,595 -0.02,596 0.142,597 -0.013,598 0.072,599 -0.048,600 0.073,601 0.019,602 0.188,603 0.045,604 0.022,605 -0.086,606 -0.018,607 -0.077,608 0.083,609 -0.054,610 0.085,611 0.19,612 0.073,613 0.136,614 0.055,615 0.107,616 0.079,617 -0.095,618 -0.017,619 -0.08,620 0.024,621 -0.062,622 -0.066,623 0.022,624 -0.049,625 -0.028,626 -0.147,627 -0.031,628 -0.164,629 -0.047,630 -0.132,631 -0.082,632 -0.235,633 -0.098,634 0.938,635 2.181,636 0.853,637 39.322,638 0.985,639 1.136,640 4.554,641 20.741,642 0.624,643 3.664,644 3.97,645 4.277,646 4.554,647 4.852,648 5.017,649 5.193,650 5.371,651 5.553,652 5.659,653 7.226,654 0.573,655 466.74,656 3.664,657 5.198,658 6.057,659 6.932,660 7.809,661 8.695,662 9.581,663 10.473,664 11.364,665 12.261,666 5.3,669 1,671 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,701 2,703 76,705 11,706 1,707 38,709 80,710 28,711 8,712 4,713 2,717 5,718 6,724 15,725 1,727 15,729 8,730 20,731 1,747 42,748 6,749 1,750 6,755 4,760 0.8,761 2,771 1,776 4,777 1,780 1,792 1,796 4,801 2,805 34,810 15,811 1,812 2,814 3,815 1,825 2.6,830 2,832 16.333,833 13.85,834 7.639,835 5.383,836 2.339,837 1.28,838 0.964,839 8.113,840 10.683,841 3.795,842 4.311,843 4.879,844 5.461,845 6.082,846 6.503,847 6.927,848 7.33,849 7.703,850 7.794,851 0.875,852 59,853 12.71,854 5.377,855 7.324,856 25.885,857 22.415,859 1.824,860 62,864 482.615,865 97.739,866 54.706,868 22,871 97.739,872 504.615,873 54.706,874 21.766,875 37.16,876 18.952,877 51.582,878 42.656,879 2.328,880 482.615,882 482.615,883 152.445,884 22,887 343.69,888 163.253,891 42.429,892 56.106,893 51.582,895 482.615,896 76.706,897 97.739,900 482.615,901 57.02,902 43.843,903 18.011,904 55.571,905 482.615,906 76.706,907 97.739,909 0.569,910 0.342,911 0.19,912 0.108,913 25,914 10,915 0.075,916 6,917 1,918 1.069,919 4.468,920 330.288,921 0.069,922 29,923 156.974,928 24.125,929 11.434,930 5.647,931 1.985,932 76.706,933 4.067,934 10.268,938 3.435,940 18.011,941 657.06,942 43.5,952 74.85,953 86.301,954 0.219,955 0.431,956 0.605,957 0.719,958 0.783,959 0.816,960 5.055,961 1.651,962 6.019,963 4.954,964 4.654,965 4.997,966 1.656,967 6.821,968 4.57,969 6.197,970 1.526,971 7.565,972 4.365,973 4.111,974 4.783,975 0.325,976 7.687,977 3.968,978 7.483,979 1.425,980 9.212,981 3.787,982 6.232,983 7.122,984 1.308,985 10.799,986 6.066,987 8.805,988 1.247,989 10.921,990 3.315,991 6.553,992 7.825,993 0.268,994 12.497,995 6.319,996 10.168,997 1.078,998 12.669,999 2.64,1000 8.086,1001 9.651,1002 1.064,1003 15.101,1004 7.835,1005 11.558,1006 1,1007 14.444,1008 2.606,1009 8.819,1010 10.781,1011 0.188,1012 17.145,1013 8.505,1014 12.969,1015 1,1016 16.236,1017 2.275,1018 10.105,1019 12.414,1020 0.862,1021 19.571,1022 9.768,1023 3.184,1024 0.712,1025 18.042,1026 2.136,1027 11.04,1028 13.747,1029 0.125,1030 21.77,1031 10.648,1032 2.899,1033 10.706,1034 19.858,1035 1.599,1036 12.221,1037 15.304,1038 0.69,1039 24.134,1040 11.801,1041 2.748,1042 9.203,1043 21.682,1044 4.548,1045 13.255,1046 16.733,1047 0.082,1048 26.407,1049 12.786,1050 2.6,1051 8.908,1052 23.512,1053 3.578,1054 14.397,1055 18.261,1056 0.544,1057 28.753,1058 13.895,1059 2.404,1060 8.454,1061 25.347,1062 3.121,1063 15.479,1064 19.735,1065 0.054,1066 31.064,1067 14.933,1068 1.982,1069 7.165,1070 27.187,1071 2.852,1072 16.609,1073 21.252,1074 0.424,1075 33.408,1076 16.029,1077 1.901,1078 5.959,1079 29.03,1080 2.807,1081 17.716,1082 22.747,1083 0.035,1084 35.74,1085 17.095,1086 15639,1087 20633,1088 26.235,1089 47.398,1090 55.73,1091 56.613,1092 57.46,1093 55.753,1094 55.824,1095 64.511,1096 5.84,1097 157.999,1098 53.419,1099 5.609,1100 5.328,1101 6.43,1102 5.223,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.062,1108 11.249,1109 1.467,1110 1.49,1111 1.512,1112 1.467,1113 1.469,1114 1.698,1115 0.154,1116 4.158,1117 1.406,1118 4.102,1119 4.138,1120 4.069,1121 3.993,1122 5.08,1123 4.008,1124 3.919,1125 3.974,1126 3.804,1127 3.793,1128 4.757,1129 3.787,1130 3.849,1131 3.908,1132 3.708,1133 3.733,1134 4.499,1135 3.719,1136 3.741,1137 3.796,1138 3.613,1139 3.626,1140 4.372,1141 3.614,1142 3.497,1143 3.545,1144 3.412,1145 3.282,1146 4.329,1147 3.308,1148 3.32,1149 3.397,1150 3.171,1151 3.133,1152 4.142,1153 3.131,1154 3.278,1155 3.364,1156 3.057,1157 3.125,1158 4.075,1159 3.097,1160 3.248,1161 3.315,1162 3.056,1163 2.999,1164 3.958,1165 2.996,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.609,1172 0.12,1173 3.328,1174 0.023,1175 6.628,1176 0.282,1177 4.146,1178 0.081,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.062,1184 2.02,1185 1.995,1186 2.128,1187 2.148,1188 1.515,1189 2.136,1190 1.904,1191 1.849,1192 2.067,1193 2.059,1194 1.384,1195 2.071,1196 1.752,1197 1.699,1198 1.975,1199 1.905,1200 1.339,1201 1.932,1202 1.717,1203 1.658,1204 1.971,1205 1.883,1206 1.336,1207 1.912,1208 1.712,1209 1.647,1210 1.932,1211 1.873,1212 1.158,1213 1.902,1214 1.367,1215 1.323,1216 1.6,1217 1.634,1218 0.837,1219 1.618,1220 1.198,1221 1.125,1222 1.576,1223 1.525,1224 0.825,1225 1.54,1226 1.18,1227 1.102,1228 1.513,1229 1.412,1230 0.825,1231 1.442,1232 4.344,1233 5.652,1235 7.166,1236 2.708,1237 8.776,1238 4.977,1239 10.44,1241 3.384,1247 19.358,1248 3.835,1249 11.216,1251 1.707,1252 2.745,1257 43.524,1258 103.759,1259 204.606,1260 287.47,1261 341.275,1262 371.823,1263 387.333,1264 54.326,1265 8.344,1266 59.51,1267 59.51,1268 31,1269 12.787,1270 3.585,1271 2.7,1272 49.719,1273 146,1274 164,1275 0.164,1276 262.922,1277 457.74,1278 633.289,1279 51150,1281 23.33,1282 0.686,1283 0.622,1284 23.33,1285 21.151,1286 16.746,1287 0.441,1288 0.36,1289 13.53,1290 16.157,1291 13.231,1292 10.963,1293 16.746,1294 13.691,1295 14.39,1296 0.277,1297 0.204,1298 14.39,1299 10.59,1300 12.728,1301 0.179,1302 0.118,1303 12.728,1304 8.4,1305 10.765,1306 0.115,1307 0.068,1308 10.765,1309 6.352,1310 9.177,1311 0.072,1312 0.038,1313 9.177,1314 4.883,1315 0.256,1316 104.505,1317 0.195,1318 31.253,1319 0.459,1320 180,1321 402.739,1322 194.444,1323 383.41,1324 542.26,1325 366,1326 213,1327 410.161,1328 228.749,1329 414.739,1330 612.86,1331 391,1332 6.292}
{0 CHEMBL516936,1 1.375,2 11.097,3 5.289,4 27.975,5 128.751,6 6.23,7 0.314,8 4.298,9 4.442,10 3.733,11 3.792,12 5.147,13 3.743,14 4.936,15 5.152,16 4.087,17 4.237,18 5.718,19 4.149,20 5.268,21 5.537,22 4.17,23 4.433,24 5.96,25 4.305,26 5.319,27 5.605,28 4.093,29 4.415,30 6.018,31 4.262,32 5.262,33 5.557,34 4.066,35 4.357,36 5.968,37 4.209,38 5.154,39 5.422,40 4.057,41 4.32,42 5.886,43 4.192,44 5.139,45 5.396,46 4.04,47 4.331,48 5.898,49 4.205,50 5.168,51 5.42,52 4.004,53 4.331,54 5.9,55 4.19,56 0.078,57 1.027,58 17.198,59 6.365,60 9.589,61 9.62,62 0.362,63 1.718,64 32.788,65 10.988,66 25.035,67 16.858,68 0.378,69 2.172,70 44.852,71 14.299,72 30.127,73 22.944,74 0.488,75 2.201,76 47.185,77 14.768,78 36.718,79 23.746,80 0.547,81 2.046,82 44.528,83 13.83,84 40.18,85 22.431,86 0.401,87 1.95,88 40.194,89 12.691,90 30.699,91 20.315,92 0.439,93 1.94,94 39.887,95 12.349,96 32.081,97 19.877,98 0.387,99 1.928,100 40.812,101 13.497,102 30.539,103 20.875,104 3,105 48,106 0.219,107 0.452,108 0.642,109 0.776,110 0.795,111 0.795,112 3.472,113 1.064,114 -5.59,115 -5.46,116 -5.09,119 36.8,121 10,124 1,125 4,127 2,138 3,139 1,140 1,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 3,172 8,176 5,181 3,183 7,186 1,187 9,190 2,192 3,194 6,197 2,198 5,201 1,203 1,205 4,208 2,209 8,214 2,217 10,220 1,221 6,227 10,231 12,234 1,238 8,242 6,249 6,252 1683,253 21.748,254 21.748,255 21.748,256 21.748,257 21.748,258 20.541,259 33.157,260 13.044,261 22.313,262 17.285,263 17.285,264 17.285,265 17.285,266 17.285,267 15.306,268 56.293,269 6.194,270 18.146,271 4.713,272 3.253,273 2.058,274 1.217,275 1.099,276 1.099,277 4.188,282 1,283 1,284 763,285 2.55,287 85.763,288 247.334,289 99.995,292 135.464,295 1.784,296 17.244,299 0.75,300 1,301 1,302 1,303 1,304 1,305 1,306 0.96,307 65.5,308 344,309 4.572,310 3.267,311 6.59,312 4.102,313 3.148,314 4.507,315 0.86,316 10.565,317 3.013,318 3.979,319 3.119,320 6.175,321 3.833,322 2.889,323 3.349,324 0.8,325 9.151,326 2.724,327 3.815,328 2.934,329 6.042,330 3.579,331 2.658,332 2.986,333 0.8,334 8.719,335 2.446,336 3.675,337 2.75,338 5.485,339 3.499,340 2.535,341 2.854,342 0.4,343 7.337,344 2.44,345 3.508,346 2.515,347 5.233,348 3.204,349 2.264,350 2.787,352 6.556,353 2.119,354 3.302,355 2.039,356 5.051,357 2.927,358 1.974,359 2.405,361 5.878,362 1.877,363 2.979,364 1.973,365 4.626,366 2.854,367 1.884,368 2.02,370 4.929,371 1.823,372 2.656,373 1.619,374 4.328,375 2.58,376 1.59,377 1.673,379 3.988,380 1.572,381 2.582,382 1.554,383 3.844,384 2.358,385 1.421,386 1.586,388 3.37,389 1.328,390 2.379,391 1.247,392 3.663,393 2.247,394 1.247,395 1.343,397 2.629,398 1.247,399 2.247,400 1.105,401 3.414,402 1.985,403 1.011,404 1.247,406 2.606,407 0.983,408 2,409 1.077,410 3.414,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.871,418 1.056,419 3.276,420 1.789,421 0.832,422 0.856,424 2.004,425 0.794,426 1.723,427 0.934,428 3.048,429 1.591,430 0.618,431 0.627,433 1.372,434 0.6,435 1.618,436 0.744,437 3,438 1.431,439 0.557,440 0.618,442 1.001,443 0.482,444 14.833,445 0.478,446 0.547,447 0.018,448 32.5,449 1.048,450 11.5,451 0.371,452 21,453 0.677,454 35.292,455 1.138,456 35.567,457 0.523,458 21.165,459 0.683,460 5.23,461 0.169,462 10.067,463 0.325,464 0.034,466 0.29,472 0.932,473 1.593,474 0.956,475 1.306,476 0.782,477 1.158,478 1.159,479 1.174,480 1.051,481 1.093,482 0.791,483 1.068,484 1.054,485 1.133,486 0.971,487 0.994,488 0.817,489 0.971,490 0.969,491 1.054,492 1.012,493 1.004,494 1.095,495 1.003,496 0.835,497 0.945,498 0.89,499 0.862,500 1.027,501 0.869,502 1.056,503 1.069,504 1.018,505 0.993,506 1.15,507 0.992,508 1.295,509 1.037,510 1.164,511 1.008,512 1.561,513 1.05,514 1.314,515 1.169,516 1.176,517 1.172,518 1.503,519 1.163,520 5,521 0.146,522 2.889,523 1.215,524 1.575,525 1.004,526 0.692,527 0.418,528 0.303,529 0.174,530 13507,531 22878,532 2.2,533 54.4,534 8,535 16,538 1,540 8,541 4,542 1.741,543 2.138,544 3.444,545 -0.393,550 93.492,551 1.375,552 2.835,553 4.029,554 4.87,555 4.988,556 4.988,557 2.903,558 4.349,559 4.921,560 3.645,561 1694.86,562 8.623,563 23964.1,568 413.947,569 1.058,570 4.918,571 0.143,572 0.006,573 0.06,574 0.024,575 0.035,576 0.022,577 0.015,578 0.01,579 0.007,580 0.005,581 0.327,582 0.33,583 0.75,584 0.479,585 160.141,586 0.043,587 -0.258,588 0.096,589 -0.088,590 0.151,591 -0.005,592 0.063,593 0.01,594 -0.002,595 -0.028,596 0.228,597 -0.027,598 -0.052,599 -0.078,600 0.033,601 0.002,602 0.122,603 0.023,604 0.018,605 -0.03,606 -0.013,607 -0.044,608 0.019,609 -0.034,610 0.143,611 0.054,612 0.104,613 0.089,614 0.108,615 0.094,616 -0.021,617 0.004,618 -0.006,619 -0.006,620 -0.053,621 -0.004,622 -0.133,623 0.074,624 -0.133,625 -0.017,626 -0.276,627 -0.061,628 -0.107,629 -0.107,630 -0.156,631 -0.153,632 -0.222,633 -0.159,634 0.833,635 2.082,636 0.903,637 32.945,638 0.985,639 1.137,640 4.356,641 18.979,642 0.627,643 3.584,644 3.892,645 4.19,646 4.466,647 4.727,648 4.905,649 5.063,650 5.231,651 5.407,652 5.497,653 6.851,654 0.577,655 423.67,656 3.584,657 5.118,658 5.974,659 6.847,660 7.72,661 8.602,662 9.483,663 10.371,664 11.258,665 12.149,666 7.4,669 1,671 1,672 1,676 2,680 2,681 3,682 2,686 3,688 11,697 1,699 1,701 1,703 68,705 11,706 1,707 35,709 72,710 25,711 8,712 3,713 3,717 5,718 6,724 12,727 12,729 8,730 17,747 37,748 6,749 1,750 6,755 5,760 0.8,761 1,771 1,773 1,775 1,776 3,777 1,780 1,792 1,796 4,801 1,805 31,810 14,811 1,812 1,814 2,815 2,825 1.5,830 1,832 14.5,833 12.133,834 6.861,835 4.807,836 2.34,837 1.288,838 0.983,839 6.802,840 10.468,841 3.726,842 4.241,843 4.8,844 5.378,845 5.978,846 6.362,847 6.782,848 7.167,849 7.535,850 7.6,851 1,852 51,853 11.576,854 4.917,855 7.306,856 23.6,857 20.474,859 1.806,860 56,864 423.76,865 87.267,866 57.83,868 11,871 87.267,872 434.76,873 57.83,874 10.883,875 33.768,876 28.429,877 51.582,878 27.209,879 4.227,880 423.76,882 423.76,883 145.098,884 11,887 282.506,888 152.253,891 40.936,892 52.58,893 51.582,895 423.76,896 68.83,897 87.267,900 423.76,901 47.956,902 45.56,903 18.011,904 44.571,905 423.76,906 68.83,907 87.267,909 0.572,910 0.338,911 0.185,912 0.102,913 24,914 9,915 0.069,916 5,917 1,918 1.071,919 4.301,920 290.462,921 0.071,922 28,923 139.58,928 21.271,929 9.913,930 4.93,931 2.072,932 68.83,933 6.167,934 10.057,938 2.723,940 18.011,941 579.857,942 40.5,952 66.974,953 77.344,954 0.226,955 0.466,956 0.662,957 0.8,958 0.819,959 0.819,960 4.982,961 1.59,962 5.932,963 4.929,964 4.575,965 4.927,966 1.552,967 6.723,968 4.479,969 6.121,970 1.421,971 7.469,972 3.988,973 4.007,974 4.663,975 0.57,976 7.554,977 3.828,978 7.4,979 1.247,980 9.106,981 3.37,982 6.142,983 7.037,984 1.121,985 10.664,986 5.943,987 8.716,988 1.011,989 10.804,990 2.629,991 6.447,992 7.698,993 0.479,994 12.345,995 6.162,996 10.07,997 1,998 12.542,999 2.606,1000 7.978,1001 9.547,1002 0.858,1003 14.942,1004 7.674,1005 11.451,1006 0.832,1007 14.307,1008 2.275,1009 8.698,1010 10.649,1011 0.346,1012 16.977,1013 8.318,1014 12.853,1015 0.618,1016 16.092,1017 2.004,1018 9.979,1019 12.296,1020 0.662,1021 19.398,1022 9.572,1023 3.148,1024 0.557,1025 17.89,1026 1.372,1027 10.903,1028 13.614,1029 0.237,1030 21.592,1031 10.433,1032 2.889,1033 10.565,1034 19.7,1035 1.001,1036 12.079,1037 15.177,1038 0.506,1039 23.951,1040 11.576,1041 2.658,1042 9.151,1043 21.519,1044 4.507,1045 13.103,1046 16.597,1047 0.158,1048 26.219,1049 12.546,1050 2.535,1051 8.719,1052 23.344,1053 3.349,1054 14.238,1055 18.126,1056 0.382,1057 28.559,1058 13.645,1059 2.264,1060 7.337,1061 25.176,1062 2.986,1063 15.312,1064 19.592,1065 0.104,1066 30.863,1067 14.671,1068 1.974,1069 6.556,1070 27.013,1071 2.854,1072 16.435,1073 21.107,1074 0.285,1075 33.2,1076 15.755,1077 1.884,1078 5.878,1079 28.854,1080 2.787,1081 17.533,1082 22.595,1083 0.068,1084 35.524,1085 16.809,1086 12459,1087 16420,1088 24.444,1089 42.665,1090 51.443,1091 52.036,1092 52.249,1093 51.629,1094 51.613,1095 60.111,1096 5.72,1097 145.549,1098 49.197,1099 5.572,1100 5.267,1101 6.388,1102 5.18,1103 5.148,1104 7.507,1105 1.72,1106 17.548,1107 5.013,1108 7.595,1109 1.47,1110 1.487,1111 1.493,1112 1.475,1113 1.475,1114 1.717,1115 0.163,1116 4.159,1117 1.406,1118 4.091,1119 4.131,1120 4.056,1121 3.98,1122 5.069,1123 3.993,1124 3.912,1125 3.973,1126 3.8,1127 3.765,1128 4.702,1129 3.764,1130 3.848,1131 3.907,1132 3.706,1133 3.731,1134 4.392,1135 3.717,1136 3.697,1137 3.765,1138 3.571,1139 3.54,1140 4.342,1141 3.534,1142 3.468,1143 3.523,1144 3.373,1145 3.274,1146 4.222,1147 3.293,1148 3.315,1149 3.389,1150 3.167,1151 3.125,1152 4.11,1153 3.125,1154 3.278,1155 3.364,1156 3.057,1157 3.124,1158 3.962,1159 3.097,1160 3.163,1161 3.244,1162 2.987,1163 2.941,1164 3.694,1165 2.919,1166 0.131,1167 0.093,1168 0.188,1169 0.117,1170 0.09,1171 4.572,1172 0.129,1173 3.267,1174 0.025,1175 6.59,1176 0.302,1177 4.102,1178 0.086,1179 3.148,1180 4.507,1181 0.86,1182 10.565,1183 3.013,1184 2.011,1185 1.984,1186 2.083,1187 2.141,1188 1.419,1189 2.124,1190 1.824,1191 1.764,1192 2.016,1193 1.999,1194 1.341,1195 2.009,1196 1.717,1197 1.658,1198 1.975,1199 1.882,1200 1.336,1201 1.912,1202 1.712,1203 1.647,1204 1.94,1205 1.873,1206 1.211,1207 1.905,1208 1.577,1209 1.507,1210 1.86,1211 1.751,1212 1.163,1213 1.793,1214 1.419,1215 1.352,1216 1.649,1217 1.675,1218 0.95,1219 1.668,1220 1.304,1221 1.238,1222 1.584,1223 1.57,1224 0.825,1225 1.574,1226 1.153,1227 1.064,1228 1.513,1229 1.397,1230 0.6,1231 1.429,1232 4.263,1233 5.572,1234 2.398,1235 7.074,1236 4.595,1237 8.67,1238 6.529,1239 10.32,1241 1.722,1247 17.619,1248 3.807,1249 5.496,1251 1.243,1252 5.096,1257 39.251,1258 93.492,1259 192.753,1260 273.999,1261 331.193,1262 339.193,1263 339.193,1264 42.524,1265 8.129,1266 53.52,1267 53.52,1268 30,1269 12.678,1270 3.585,1271 2.7,1272 43.431,1273 125,1274 129,1275 0.166,1276 236.943,1277 408.05,1278 569.9,1279 39783,1281 21.045,1282 0.679,1283 0.612,1284 21.045,1285 18.983,1286 15.297,1287 0.437,1288 0.355,1289 12.265,1290 14.759,1291 12.034,1292 9.933,1293 15.297,1294 12.413,1295 13.316,1296 0.277,1297 0.199,1298 13.316,1299 9.549,1300 11.711,1301 0.18,1302 0.115,1303 11.711,1304 7.491,1305 9.849,1306 0.115,1307 0.065,1308 9.849,1309 5.628,1310 8.05,1311 0.072,1312 0.035,1313 8.05,1314 3.942,1315 0.259,1316 95.273,1317 0.202,1318 29.019,1319 0.464,1320 166,1321 362.649,1322 180.091,1323 349.77,1324 498.93,1325 334,1326 196,1327 383.433,1328 211.147,1329 386.646,1330 572.76,1331 366,1332 7.509}
{0 CHEMBL518924,1 1.346,2 8.885,3 3.516,4 12.365,5 104.713,6 6.595,7 0.552,8 4.051,9 4.198,10 3.526,11 3.586,12 5.016,13 3.541,14 4.622,15 4.826,16 3.857,17 3.998,18 5.493,19 3.917,20 4.917,21 5.181,22 3.893,23 4.132,24 5.692,25 4.01,26 4.961,27 5.233,28 3.838,29 4.13,30 5.688,31 3.993,32 4.971,33 5.247,34 3.813,35 4.137,36 5.707,37 3.995,38 5.015,39 5.294,40 3.843,41 4.178,42 5.745,43 4.026,44 5.014,45 5.296,46 3.854,47 4.176,48 5.785,49 4.03,50 4.968,51 5.247,52 3.764,53 4.136,54 5.805,55 3.976,56 0.068,57 0.82,58 12.54,59 4.704,60 9.364,61 7.025,62 0.178,63 1.334,64 22.835,65 8.012,66 17.455,67 12.216,68 0.332,69 1.621,70 31.41,71 10.495,72 27.47,73 16.205,74 0.269,75 1.651,76 32.836,77 10.708,78 25.354,79 16.856,80 0.329,81 1.659,82 33.312,83 10.72,84 28.783,85 16.843,86 0.323,87 1.714,88 34.659,89 11.861,90 28.15,91 18.263,92 0.28,93 1.707,94 34.619,95 11.637,96 31.284,97 18.124,98 0.342,99 1.627,100 33.07,101 11.544,102 41.385,103 17.575,104 6,105 39,106 0.224,107 0.573,108 0.774,109 0.879,110 0.898,111 0.898,112 3.305,113 1,114 -3.32,115 -3.31,116 -3.17,119 39.6,121 5,125 3,127 1,138 6,139 1,141 1,142 2,148 1,154 1,156 1,157 1,158 1,163 9,166 5,169 1,171 2,172 6,174 1,175 2,176 8,179 1,181 3,183 4,185 1,187 4,192 1,194 3,198 6,200 1,201 1,203 2,205 4,208 1,209 6,212 1,214 3,217 4,221 2,226 3,227 7,229 1,231 3,233 2,234 2,235 1,236 3,237 1,238 11,240 2,242 2,247 2,249 10,251 2,252 1134,253 18.284,254 18.284,255 18.284,256 18.284,257 18.284,258 16.42,259 16.97,260 11.273,261 18.574,262 14.362,263 14.362,264 14.362,265 14.362,266 14.362,267 11.582,268 19.852,269 5.353,270 14.87,271 4.382,272 2.291,273 1.085,274 0.453,275 0.34,276 0.34,277 4.009,281 1,282 1,283 1,284 506,285 3.317,287 53.411,288 201.046,291 105.574,292 109.978,295 1.219,296 14.569,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 54.5,308 231,309 4.464,310 3.445,311 6.693,312 4.097,313 3.135,314 4.402,315 0.995,316 10.851,317 3.022,318 4.342,319 3.051,320 6.246,321 3.931,322 2.974,323 3.882,324 0.359,325 9.487,326 2.846,327 3.693,328 2.749,329 5.782,330 3.456,331 2.502,332 2.928,334 7.893,335 2.383,336 3.375,337 2.257,338 5.125,339 3,340 2.038,341 2.604,343 6.135,344 1.958,345 3.032,346 1.901,347 4.58,348 2.721,349 1.736,350 2.298,352 4.508,353 1.709,354 2.948,355 1.707,356 4.414,357 2.586,358 1.618,359 2.113,361 4.312,362 1.565,363 2.902,364 1.577,365 4.042,366 2.495,367 1.532,368 2.043,370 3.647,371 1.474,372 2.811,373 1.532,374 3.619,375 2.436,376 1.46,377 1.903,379 3.033,380 1.423,381 2.607,382 1.385,383 3.597,384 2.307,385 1.328,386 1.618,388 2.9,389 1.297,390 2.394,391 1.277,392 3.546,393 2.234,394 1.25,395 1.388,397 2.749,398 1.227,399 1.982,400 0.911,401 3.25,402 1.772,403 0.81,404 0.922,406 1.773,407 0.777,408 1.847,409 0.717,410 3,411 1.518,412 0.562,413 0.597,415 1.068,416 0.536,417 1.633,418 0.347,419 2.878,420 1.295,421 0.347,422 0.521,424 0.86,425 0.328,426 0.949,427 0.079,428 2.602,429 0.745,430 -0.2,431 -0.215,433 -0.403,434 -0.188,435 0.789,436 -0.145,437 2.305,438 0.599,439 -0.367,440 -0.402,442 -0.864,443 -0.354,444 12.5,445 0.481,446 0.41,447 0.016,448 31,449 1.192,450 14,451 0.538,452 17,453 0.654,454 23.972,455 0.922,456 28.3,457 0.534,458 20.071,459 0.772,460 5.748,461 0.221,462 7.1,463 0.273,464 0.032,466 0.272,472 1.071,473 1.365,474 0.925,475 1.105,476 1.057,477 1.018,478 1.102,479 1.266,480 1.018,481 1.119,482 0.857,483 1.07,484 1.063,485 0.967,486 0.978,487 0.946,488 0.865,489 0.952,490 1.181,491 1.112,492 1.025,493 1.022,494 0.922,495 1.01,496 1.299,497 0.963,498 1.083,499 0.956,500 1.028,501 0.991,502 0.983,503 0.991,504 1.006,505 1.005,506 0.791,507 1.007,508 1.07,509 1.003,510 0.964,511 0.952,512 1.067,513 0.948,514 0.956,515 0.901,516 1.044,517 0.998,518 1.045,519 1.025,520 3.5,521 0.052,522 2.222,523 1.729,524 0.978,525 0.539,526 0.456,527 0.34,528 0.271,529 0.14,530 7842,531 15987,532 2.172,533 50.9,534 4,535 13,537 1,538 3,540 6,542 1.698,543 2.108,544 3.158,545 0.898,547 1,550 71.35,551 1.346,552 3.437,553 4.643,554 5.275,555 5.388,556 5.388,557 2.493,558 3.95,559 4.671,560 3.328,561 1081.63,562 8.133,563 13598.7,565 1,567 1,568 303.58,569 1.058,570 4.663,571 0.121,572 0.004,573 0.057,574 0.044,575 0.027,576 0.015,577 0.013,578 0.009,579 0.008,580 0.006,581 0.304,582 0.33,583 1,584 1.085,585 125.748,586 -0.039,587 -0.111,588 0.059,589 0.003,590 -0.025,591 0.035,592 -0.003,593 -0.118,594 -0.027,595 -0.081,596 0.017,597 -0.061,598 0.066,599 0.065,600 0.018,601 0.028,602 0.017,603 0.02,604 -0.087,605 -0.107,606 -0.033,607 -0.055,608 -0.074,609 -0.041,610 -0.134,611 0.049,612 -0.085,613 -0.001,614 -0.126,615 -0.032,616 0.022,617 -0.008,618 -0.023,619 -0.029,620 0.008,621 -0.03,622 -0.064,623 -0.027,624 0.02,625 0.022,626 -0.035,627 0.028,628 0.033,629 0.082,630 -0.063,631 -0.019,632 0.083,633 -0.046,634 0.967,635 1.789,636 0.731,637 21.402,638 0.985,639 1.133,640 2.092,641 4.375,642 0.649,643 3.401,644 3.689,645 3.989,646 4.29,647 4.511,648 4.554,649 4.718,650 4.852,651 4.89,652 4.905,653 5.801,654 0.602,655 349.53,656 3.401,657 4.92,658 5.771,659 6.645,660 7.518,661 8.402,662 9.284,663 10.172,664 11.058,665 11.948,666 9.4,667 1,669 1,674 1,676 2,680 2,681 7,682 2,683 1,686 3,688 16,703 53,705 16,706 1,707 29,709 56,710 21,711 12,712 2,713 4,717 4,718 6,721 1,724 4,727 6,729 12,730 9,743 1,744 1,747 27,748 4,749 3,750 5,753 1,755 5,760 0.5,770 1,775 1,776 3,779 1,780 1,790 1,792 1,796 2,805 26,806 1,810 8,814 1,815 1,832 12.333,833 9.1,834 5.861,835 3.456,836 2.951,837 1.398,838 1.008,839 5.399,840 10.374,841 3.638,842 4.201,843 4.793,844 5.39,845 5.863,846 6.041,847 6.408,848 6.763,849 6.743,850 7.016,851 0.833,852 39,853 9.635,854 4.046,855 7.429,856 19.215,857 16.224,859 1.929,860 50.167,862 1,863 1,864 282.506,865 97.453,866 86.378,871 97.453,872 282.506,873 86.378,875 51.887,876 56.857,877 47.67,878 37.044,879 2.144,880 270.735,882 282.506,883 183.831,887 211.88,888 70.627,891 88.073,892 62.187,893 33.571,895 282.506,896 86.378,897 97.453,900 282.506,901 31.548,902 69.029,903 16.786,904 66.468,905 282.506,906 86.378,907 97.453,909 0.56,910 0.331,911 0.193,912 0.107,913 19,914 7,915 0.125,916 7,917 2,918 1.211,919 3.852,920 222.629,921 0.211,922 19,923 122.211,928 17.354,929 8.089,930 3.883,931 2.137,932 69.593,933 14.439,934 9.526,935 3.482,938 3.682,940 49.683,941 466.338,942 37,952 52.229,953 60.059,954 0.235,955 0.6,956 0.811,957 0.921,958 0.941,959 0.941,960 4.852,961 1.46,962 5.72,963 3.647,964 4.369,965 4.887,966 1.114,967 6.518,968 4.298,969 6.016,970 1.328,971 7.256,972 3.033,973 3.761,974 4.543,975 0.325,976 7.38,977 3.633,978 7.3,979 1.25,980 8.9,981 2.9,982 5.927,983 7.061,984 0.897,985 10.529,986 5.776,987 8.624,988 0.81,989 10.612,990 2.749,991 6.236,992 7.657,993 0.504,994 12.289,995 6.023,996 9.989,997 0.562,998 12.369,999 1.773,1000 7.796,1001 9.588,1002 0.792,1003 14.917,1004 7.563,1005 11.381,1006 0.347,1007 14.156,1008 1.068,1009 8.547,1010 10.635,1011 0.585,1012 17.028,1013 8.257,1014 12.796,1015 -0.2,1016 15.966,1017 0.86,1018 9.849,1019 12.31,1020 0.735,1021 19.481,1022 9.535,1023 3.135,1024 -0.367,1025 17.791,1026 -0.403,1027 10.806,1028 13.576,1029 0.622,1030 21.736,1031 10.441,1032 2.974,1033 10.851,1034 19.628,1035 -0.864,1036 11.999,1037 15.135,1038 0.703,1039 24.129,1040 11.606,1041 2.502,1042 9.487,1043 21.474,1044 4.402,1045 13.048,1046 16.505,1047 0.639,1048 26.445,1049 12.61,1050 2.038,1051 7.893,1052 23.327,1053 3.882,1054 14.198,1055 18.013,1056 0.683,1057 28.82,1058 13.728,1059 1.736,1060 6.135,1061 25.185,1062 2.928,1063 15.289,1064 19.434,1065 0.646,1066 31.164,1067 14.777,1068 1.618,1069 4.508,1070 27.048,1071 2.604,1072 16.422,1073 20.92,1074 0.67,1075 33.535,1076 15.876,1077 1.532,1078 4.312,1079 28.915,1080 2.298,1081 17.532,1082 22.366,1083 0.648,1084 35.894,1085 16.946,1086 7414,1087 10692,1088 20.167,1089 34.404,1090 42.89,1091 42.448,1092 43.615,1093 42.594,1094 42.582,1095 54.44,1096 2.707,1097 118.43,1098 41.089,1099 5.418,1100 5.445,1101 6.602,1102 5.147,1103 5.135,1104 7.402,1105 1.754,1106 18.036,1107 5.022,1108 6.877,1109 1.479,1110 1.464,1111 1.504,1112 1.469,1113 1.468,1114 1.877,1115 0.093,1116 4.084,1117 1.417,1118 4.112,1119 4.159,1120 4.07,1121 3.987,1122 5.064,1123 4.001,1124 3.984,1125 4.027,1126 3.92,1127 3.889,1128 5.005,1129 3.891,1130 3.713,1131 3.784,1132 3.574,1133 3.563,1134 4.87,1135 3.555,1136 3.537,1137 3.607,1138 3.399,1139 3.39,1140 4.367,1141 3.382,1142 3.452,1143 3.52,1144 3.318,1145 3.303,1146 4.171,1147 3.302,1148 3.287,1149 3.377,1150 3.134,1151 3.072,1152 3.987,1153 3.076,1154 3.064,1155 3.163,1156 2.865,1157 2.856,1158 3.852,1159 2.844,1160 2.917,1161 2.994,1162 2.793,1163 2.778,1164 3.837,1165 2.771,1166 0.154,1167 0.119,1168 0.231,1169 0.141,1170 0.108,1171 4.464,1172 0.152,1173 3.445,1174 0.034,1175 6.693,1176 0.374,1177 4.097,1178 0.104,1179 3.135,1180 4.402,1181 0.995,1182 10.851,1183 3.022,1184 1.966,1185 1.927,1186 2.103,1187 2.094,1188 1.432,1189 2.099,1190 1.91,1191 1.881,1192 2.011,1193 2.007,1194 1.273,1195 2.011,1196 1.718,1197 1.651,1198 1.957,1199 1.908,1200 1.098,1201 1.927,1202 1.553,1203 1.487,1204 1.753,1205 1.776,1206 0.968,1207 1.772,1208 1.479,1209 1.414,1210 1.7,1211 1.662,1212 0.844,1213 1.683,1214 1.249,1215 1.159,1216 1.525,1217 1.533,1218 0.699,1219 1.539,1220 1.06,1221 0.97,1222 1.375,1223 1.315,1224 0.648,1225 1.341,1226 0.956,1227 0.899,1228 1.218,1229 1.165,1230 0.326,1231 1.189,1232 4.078,1233 5.371,1234 2.398,1235 6.872,1236 4.727,1237 8.474,1238 6.823,1239 10.131,1245 5.724,1247 8.269,1251 0.367,1252 2.54,1257 31.902,1258 71.35,1259 182.177,1260 246.07,1261 279.58,1262 285.58,1263 285.58,1264 34.081,1265 7.423,1266 70.83,1267 70.83,1268 23,1269 12.478,1270 4.087,1271 3.17,1272 37.724,1273 85,1274 100,1275 0.204,1276 196.116,1277 326.24,1278 470.282,1279 16401,1281 17.769,1282 0.683,1283 0.584,1284 17.769,1285 15.195,1286 12.848,1287 0.443,1288 0.333,1289 9.573,1290 12.513,1291 9.397,1292 7.781,1293 12.848,1294 9.665,1295 10.937,1296 0.28,1297 0.183,1298 10.937,1299 7.123,1300 9.389,1301 0.177,1302 0.1,1303 9.389,1304 5.297,1305 8.215,1306 0.114,1307 0.056,1308 8.215,1309 4.018,1310 6.757,1311 0.075,1312 0.032,1313 6.757,1314 2.924,1315 0.313,1316 79.285,1317 0.223,1318 24.819,1319 0.584,1320 136,1321 298.58,1322 144.992,1323 298.933,1324 425.45,1325 284,1326 160,1327 325.423,1328 170.103,1329 331.522,1330 487.71,1331 315,1332 5}
{0 CHEMBL521737,1 1.439,2 12.75,3 4.828,4 23.311,5 146.117,6 6.301,7 0.275,8 4.449,9 4.586,10 3.878,11 3.908,12 5.35,13 3.868,14 5.08,15 5.29,16 4.227,17 4.35,18 5.894,19 4.274,20 5.409,21 5.662,22 4.386,23 4.583,24 6.16,25 4.472,26 5.529,27 5.805,28 4.327,29 4.601,30 6.296,31 4.461,32 5.485,33 5.769,34 4.291,35 4.557,36 6.232,37 4.421,38 5.401,39 5.66,40 4.299,41 4.547,42 6.187,43 4.418,44 5.431,45 5.696,46 4.273,47 4.536,48 6.206,49 4.41,50 5.413,51 5.671,52 4.233,53 4.491,54 6.196,55 4.372,56 0.079,57 1.154,58 20.003,59 7.451,60 12.052,61 10.968,62 0.445,63 1.902,64 38.064,65 12.613,66 31.672,67 18.986,68 0.527,69 2.471,70 52.149,71 16.62,72 38.934,73 26.272,74 0.756,75 2.598,76 59.08,77 17.914,78 58.692,79 28.51,80 0.747,81 2.444,82 56.402,83 17.144,84 57.473,85 27.301,86 0.659,87 2.396,88 51.901,89 16.542,90 48.97,91 25.921,92 0.604,93 2.401,94 53.633,95 16.103,96 49.241,97 25.765,98 0.743,99 2.288,100 53.329,101 15.454,102 53.832,103 24.386,104 19,105 55,106 0.223,107 0.463,108 0.677,109 0.803,110 0.823,111 0.827,112 3.616,113 1.049,114 -4.95,115 -4.85,116 -4.55,119 35.4,121 10,122 1,124 2,125 5,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 4,172 8,175 1,176 6,181 4,183 6,186 2,187 10,190 3,192 4,194 6,197 2,198 3,201 1,205 6,208 4,209 8,212 1,214 4,217 10,220 1,221 7,227 6,231 16,234 2,238 6,242 9,249 4,252 2554,253 25.143,254 25.143,255 25.143,256 25.143,257 25.143,258 23.935,259 37.155,260 14.885,261 25.885,262 19.611,263 19.611,264 19.611,265 19.611,266 19.611,267 17.536,268 61.287,269 6.874,270 20.675,271 4.865,272 3.308,273 1.923,274 1.108,275 0.981,276 0.956,277 4.327,283 1,284 999,285 3.082,288 422.956,289 119.996,292 164.689,295 1.958,296 28.426,299 1,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.98,307 77.5,308 459,309 4.609,310 3.326,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.178,320 6.204,321 3.869,322 2.925,323 3.578,324 0.86,325 9.275,326 2.762,327 3.916,328 3.06,329 6.11,330 3.695,331 2.769,332 3.122,333 0.8,334 8.972,335 2.56,336 3.77,337 2.859,338 5.984,339 3.56,340 2.616,341 2.881,342 0.8,343 8.466,344 2.474,345 3.554,346 2.545,347 5.445,348 3.39,349 2.421,350 2.83,351 0.4,352 7.166,353 2.341,354 3.352,355 2.415,356 5.285,357 3.281,358 2.312,359 2.431,361 6.716,362 2.223,363 3.315,364 2.229,365 5.074,366 2.928,367 1.979,368 2.365,370 5.958,371 1.873,372 2.904,373 1.965,374 4.602,375 2.638,376 1.69,377 1.985,379 4.753,380 1.608,381 2.742,382 1.817,383 4.411,384 2.592,385 1.626,386 1.772,388 4.201,389 1.562,390 2.583,391 1.607,392 4.177,393 2.417,394 1.489,395 1.585,397 3.537,398 1.373,399 2.393,400 1.484,401 3.725,402 2.26,403 1.315,404 1.389,406 3.314,407 1.247,408 2.247,409 1.247,410 3.491,411 2.247,412 1.247,413 1.247,415 2.606,416 1.236,417 2.092,418 1.189,419 3.456,420 2.018,421 1.063,422 1.085,424 2.527,425 1.011,426 2,427 1.077,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 1.902,436 1.025,437 3.414,438 1.614,439 0.712,440 0.82,442 1.601,443 0.637,444 17,445 0.472,446 0.666,447 0.019,448 36.25,449 1.007,450 12,451 0.333,452 24.25,453 0.674,454 44.757,455 1.243,456 42.4,457 0.537,458 26.644,459 0.74,460 6.049,461 0.168,462 11.629,463 0.323,464 0.078,466 0.312,472 0.941,473 1.618,474 0.956,475 1.353,476 0.88,477 1.183,478 1.143,479 1.148,480 1.04,481 1.063,482 0.856,483 1.042,484 0.814,485 1.206,486 0.932,487 1.054,488 0.627,489 1.005,490 0.914,491 1.06,492 1.016,493 1.022,494 0.959,495 1.022,496 0.932,497 0.95,498 0.916,499 0.872,500 0.911,501 0.883,502 0.812,503 1.106,504 1.016,505 1.065,506 0.95,507 1.06,508 1.074,509 1.102,510 1.068,511 1.029,512 1.175,513 1.032,514 1.433,515 1.003,516 1.171,517 0.984,518 1.298,519 1.026,520 6.5,521 0.257,522 3.556,523 1.875,524 2.138,525 1.399,526 0.948,527 0.64,528 0.426,529 0.26,530 19533,531 37782,532 2.137,533 54.4,534 10,535 20,538 2,540 6,541 5,542 1.778,543 2.038,544 3.617,545 0.148,550 113.699,551 1.439,552 2.996,553 4.38,554 5.196,555 5.323,556 5.348,557 3.055,558 4.837,559 5.137,560 3.817,561 2404.57,562 9.057,563 38139.8,568 497.999,569 1.256,570 5.118,571 0.162,572 0.007,573 0.065,574 0.03,575 0.038,576 0.025,577 0.017,578 0.012,579 0.008,580 0.006,581 0.37,582 0.17,583 0.75,584 0.741,585 195.558,586 -0.012,587 -0.251,588 0.079,589 -0.089,590 0.022,591 -0.007,592 -0.036,593 0.046,594 -0.002,595 0.026,596 0.033,597 0.012,598 0.039,599 -0.107,600 0.059,601 -0.018,602 0.094,603 0.02,604 0.028,605 -0.019,606 -0.02,607 -0.05,608 0.016,609 -0.043,610 0.025,611 0.056,612 0.075,613 0.092,614 -0.005,615 0.091,616 0.067,617 -0.017,618 -0.023,619 -0.048,620 -0.021,621 -0.049,622 -0.081,623 -0.033,624 -0.061,625 -0.043,626 -0.131,627 -0.045,628 -0.156,629 0.052,630 -0.13,631 -0.018,632 -0.181,633 -0.06,634 1.189,635 3.64,636 0.806,637 43.775,638 0.991,639 1.139,640 3.721,641 13.844,642 0.618,643 3.714,644 4.025,645 4.331,646 4.605,647 4.905,648 5.075,649 5.242,650 5.416,651 5.606,652 5.714,653 7.677,654 0.573,655 497.76,656 3.714,657 5.252,658 6.111,659 6.989,660 7.867,661 8.754,662 9.64,663 10.532,664 11.423,665 12.32,666 6.3,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 79,705 11,706 1,707 40,709 83,710 28,711 8,712 4,713 2,717 5,718 6,721 1,724 12,725 1,727 12,729 8,730 20,731 1,747 43,748 8,749 2,750 8,755 5,760 0.8,761 3,762 1,771 1,776 4,777 1,780 1,792 1,794 1,796 4,801 2,805 36,809 1,810 15,811 1,812 2,814 3,815 2,825 3.8,826 1,830 2,832 17.667,833 14.25,834 8.139,835 5.317,836 2.333,837 1.274,838 0.944,839 8.838,840 10.849,841 3.839,842 4.35,843 4.909,844 5.482,845 6.098,846 6.517,847 6.936,848 7.336,849 7.711,850 7.804,851 1,852 63,853 13.439,854 5.684,855 7.444,856 27,857 23.154,859 1.944,860 70,864 482.615,865 93.918,866 57.83,868 64.683,871 93.918,872 547.298,873 57.83,874 21.766,875 33.768,876 61.636,877 51.582,878 43.452,879 4.227,880 482.615,882 482.615,883 151.748,884 64.683,887 353.133,888 151.482,889 42.683,891 40.936,892 59.231,893 51.582,895 482.615,896 122.514,897 93.918,900 482.615,901 53.199,902 46.967,903 18.011,904 98.254,905 482.615,906 122.514,907 93.918,909 0.569,910 0.345,911 0.19,912 0.108,913 26,914 11,915 0.084,916 7,917 1,918 1.069,919 4.594,920 355.613,921 0.069,922 29,923 176.117,928 25.965,929 12.254,930 6.093,931 1.872,932 122.514,933 3.99,934 10.114,938 3.106,940 60.694,941 699.046,942 45.5,952 78.279,953 90.009,954 0.228,955 0.475,956 0.695,957 0.824,958 0.844,959 0.848,960 5.104,961 1.69,962 6.08,963 5.958,964 4.71,965 5.037,966 1.824,967 6.887,968 4.607,969 6.248,970 1.626,971 7.631,972 4.753,973 4.205,974 4.832,975 0.57,976 7.758,977 4.039,978 7.536,979 1.489,980 9.28,981 4.201,982 6.297,983 7.149,984 1.426,985 10.858,986 6.095,987 8.857,988 1.315,989 10.988,990 3.537,991 6.635,992 7.849,993 0.479,994 12.546,995 6.359,996 10.217,997 1.247,998 12.734,999 3.314,1000 8.15,1001 9.665,1002 1.153,1003 15.146,1004 7.846,1005 11.603,1006 1.063,1007 14.504,1008 2.606,1009 8.889,1010 10.791,1011 0.346,1012 17.18,1013 8.515,1014 13.009,1015 1,1016 16.292,1017 2.527,1018 10.165,1019 12.42,1020 0.931,1021 19.605,1022 9.758,1023 3.184,1024 0.712,1025 18.093,1026 2.275,1027 11.1,1028 13.751,1029 0.237,1030 21.798,1031 10.632,1032 2.925,1033 10.706,1034 19.904,1035 1.601,1036 12.276,1037 15.307,1038 0.742,1039 24.161,1040 11.772,1041 2.769,1042 9.275,1043 21.724,1044 4.548,1045 13.309,1046 16.735,1047 0.158,1048 26.431,1049 12.75,1050 2.616,1051 8.972,1052 23.55,1053 3.578,1054 14.447,1055 18.262,1056 0.583,1057 28.775,1058 13.85,1059 2.421,1060 8.466,1061 25.382,1062 3.122,1063 15.527,1064 19.736,1065 0.104,1066 31.084,1067 14.882,1068 2.312,1069 7.166,1070 27.219,1071 2.881,1072 16.655,1073 21.253,1074 0.452,1075 33.427,1076 15.97,1077 1.979,1078 6.716,1079 29.059,1080 2.83,1081 17.761,1082 22.747,1083 0.068,1084 35.758,1085 17.031,1086 18383,1087 25771,1088 27.334,1089 48.859,1090 58.541,1091 59.927,1092 60.805,1093 58.559,1094 58.663,1095 67.351,1096 7.44,1097 167.242,1098 55.592,1099 5.609,1100 5.326,1101 6.426,1102 5.218,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 14.569,1109 1.464,1110 1.498,1111 1.52,1112 1.464,1113 1.467,1114 1.684,1115 0.186,1116 4.181,1117 1.39,1118 4.097,1119 4.134,1120 4.066,1121 3.982,1122 6.456,1123 3.998,1124 3.925,1125 3.981,1126 3.816,1127 3.784,1128 5.085,1129 3.783,1130 3.849,1131 3.907,1132 3.708,1133 3.732,1134 4.763,1135 3.718,1136 3.742,1137 3.802,1138 3.623,1139 3.596,1140 4.499,1141 3.591,1142 3.507,1143 3.551,1144 3.43,1145 3.293,1146 4.377,1147 3.323,1148 3.332,1149 3.407,1150 3.186,1151 3.136,1152 4.331,1153 3.136,1154 3.298,1155 3.368,1156 3.121,1157 3.125,1158 4.161,1159 3.097,1160 3.278,1161 3.364,1162 3.057,1163 3.097,1164 4.075,1165 3.087,1166 0.115,1167 0.083,1168 0.166,1169 0.103,1170 0.08,1171 4.609,1172 0.114,1173 3.326,1174 0.022,1175 6.628,1176 0.268,1177 4.139,1178 0.076,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.008,1185 1.985,1186 2.102,1187 2.145,1188 1.486,1189 2.127,1190 1.894,1191 1.837,1192 2.053,1193 2.064,1194 1.348,1195 2.07,1196 1.735,1197 1.676,1198 1.975,1199 1.911,1200 1.337,1201 1.93,1202 1.717,1203 1.658,1204 1.96,1205 1.884,1206 1.336,1207 1.912,1208 1.712,1209 1.647,1210 1.934,1211 1.873,1212 1.164,1213 1.903,1214 1.375,1215 1.334,1216 1.604,1217 1.641,1218 0.905,1219 1.623,1220 1.289,1221 1.219,1222 1.596,1223 1.545,1224 0.825,1225 1.561,1226 1.195,1227 1.121,1228 1.576,1229 1.525,1230 0.695,1231 1.54,1232 4.394,1233 5.707,1235 7.223,1236 2.708,1237 8.835,1238 4.977,1239 10.5,1241 3.343,1246 9.64,1247 16.524,1248 3.798,1249 11.194,1251 1.463,1252 4.956,1257 45.261,1258 113.699,1259 236.649,1260 346.05,1261 410.489,1262 420.489,1263 422.489,1264 62.689,1265 8.516,1266 82.98,1267 82.98,1268 31,1269 12.846,1270 3.585,1271 2.7,1272 54.242,1273 163,1274 188,1275 0.159,1276 273.712,1277 477.53,1278 659.618,1279 63838,1281 24.907,1282 0.692,1283 0.612,1284 24.907,1285 22.046,1286 17.678,1287 0.442,1288 0.35,1289 13.772,1290 16.913,1291 13.475,1292 11.139,1293 17.678,1294 13.983,1295 15.193,1296 0.276,1297 0.197,1298 15.193,1299 10.833,1300 13.479,1301 0.18,1302 0.113,1303 13.479,1304 8.458,1305 11.291,1306 0.114,1307 0.064,1308 11.291,1309 6.321,1310 9.634,1311 0.072,1312 0.036,1313 9.634,1314 4.776,1315 0.249,1316 111.379,1317 0.191,1318 32.809,1319 0.439,1320 190,1321 464.534,1322 208.409,1323 437.06,1324 608.82,1325 416,1326 225,1327 450.493,1328 245.075,1329 454.617,1330 672.51,1331 427,1332 7.262}
{0 CHEMBL526474,1 1.572,2 13.892,3 5.328,4 28.387,5 148.351,6 7.207,7 0.415,8 4.385,9 4.508,10 3.932,11 3.872,12 5.377,13 3.848,14 4.979,15 5.172,16 4.291,17 4.285,18 5.895,19 4.236,20 5.23,21 5.447,22 4.407,23 4.482,24 6.098,25 4.397,26 5.369,27 5.622,28 4.352,29 4.51,30 6.197,31 4.401,32 5.37,33 5.624,34 4.342,35 4.519,36 6.182,37 4.406,38 5.38,39 5.641,40 4.326,41 4.529,42 6.177,43 4.405,44 5.35,45 5.61,46 4.323,47 4.483,48 6.165,49 4.366,50 5.288,51 5.539,52 4.293,53 4.418,54 6.139,55 4.313,56 0.013,57 1.063,58 16.447,59 6.724,60 11.024,61 9.262,62 0.458,63 1.724,64 33.647,65 11.213,66 35.508,67 15.646,68 0.433,69 2.168,70 44.782,71 14.429,72 38.6,73 21.201,74 0.695,75 2.349,76 52.569,77 16.184,78 54.158,79 24.061,80 0.668,81 2.345,82 51.047,83 16.51,84 55.243,85 24.674,86 0.664,87 2.371,88 52.221,89 16.983,90 50.685,91 25.341,92 0.557,93 2.27,94 50.939,95 15.984,96 50.493,97 24.013,98 0.659,99 2.078,100 48.826,101 14.75,102 53.93,103 21.511,104 27,105 57,106 0.245,107 0.54,108 0.734,109 0.832,110 0.836,111 0.84,112 3.642,113 0.98,114 -4.91,115 -4.81,116 -4.51,119 38.4,121 4,122 1,124 3,125 5,127 1,138 6,139 1,140 4,142 1,143 1,146 1,163 5,165 3,166 12,169 1,171 3,172 7,175 1,176 7,181 3,183 5,186 3,187 11,190 2,192 1,194 6,197 2,198 3,201 1,203 1,205 6,208 4,209 8,212 1,214 2,217 8,220 1,221 8,227 5,230 1,231 12,234 1,238 5,242 9,249 5,252 2818,253 25.591,254 25.591,255 25.591,256 25.591,257 25.591,258 23.607,259 40.913,260 15.076,261 26.625,262 20.115,263 20.115,264 20.115,265 20.115,266 20.115,267 16.951,268 64.254,269 6.954,270 21.599,271 4.618,272 2.721,273 1.48,274 0.853,275 0.826,276 0.798,277 4.351,279 1,283 1,284 1115,285 3.317,288 555.511,292 174.042,295 2.02,296 27.88,299 0.75,300 0.83,301 0.83,302 0.9,303 1,304 0.83,305 1,306 0.88,307 79.833,308 514,309 4.611,310 3.327,311 6.628,312 4.14,313 3.184,314 4.549,315 0.86,316 10.706,317 3.048,318 4.098,319 3.179,320 6.204,321 3.87,322 2.926,323 3.642,324 0.86,325 9.278,326 2.763,327 4.012,328 3.064,329 6.11,330 3.698,331 2.771,332 3.551,333 0.86,334 8.973,335 2.565,336 3.905,337 2.959,338 5.985,339 3.598,340 2.656,341 3.117,342 0.8,343 8.468,344 2.496,345 3.755,346 2.819,347 5.482,348 3.443,349 2.499,350 2.884,351 0.8,352 7.285,353 2.362,354 3.497,355 2.516,356 5.309,357 3.301,358 2.337,359 2.841,360 0.4,361 6.836,362 2.233,363 3.369,364 2.453,365 5.148,366 3.041,367 2.137,368 2.611,370 6.2,371 1.906,372 3.301,373 2.224,374 4.856,375 2.823,376 1.893,377 2.385,379 5.527,380 1.698,381 2.901,382 1.934,383 4.598,384 2.63,385 1.692,386 1.988,388 4.753,389 1.581,390 2.736,391 1.903,392 4.408,393 2.438,394 1.529,395 1.772,397 4.18,398 1.382,399 2.5,400 1.675,401 4.183,402 2.276,403 1.345,404 1.5,406 3.56,407 1.246,408 2.429,409 1.395,410 3.509,411 2.018,412 1.068,413 1.426,415 2.546,416 1.011,417 2.103,418 1.173,419 3.474,420 2,421 1,422 1.094,424 2.275,425 1,426 2,427 1.077,428 3.414,429 1.984,430 1,431 1,433 2.275,434 0.983,435 2,436 1.036,437 3.414,438 1.86,439 1,440 1,442 1.733,443 0.851,444 17.714,445 0.479,446 0.772,447 0.021,448 43.25,449 1.169,450 18,451 0.486,452 25.25,453 0.682,454 39.989,455 1.081,456 41.686,457 0.571,458 34.261,459 0.926,460 8.227,461 0.222,462 9.845,463 0.266,464 0.125,466 0.327,472 0.864,473 1.571,474 0.724,475 1.223,476 0.727,477 1.067,478 1.282,479 1.007,480 0.834,481 0.836,482 0.911,483 0.861,484 0.905,485 1.277,486 0.941,487 1.075,488 0.753,489 1.04,490 0.932,491 1,492 0.897,493 0.941,494 0.902,495 0.964,496 0.819,497 1.057,498 0.756,499 0.938,500 0.798,501 0.958,502 0.72,503 0.983,504 0.798,505 0.927,506 0.706,507 0.954,508 0.858,509 1.06,510 0.785,511 0.942,512 0.823,513 0.95,514 1.227,515 0.899,516 0.902,517 0.84,518 1.169,519 0.902,520 7.5,521 0.33,522 4,523 1.875,524 2.356,525 1.458,526 1.047,527 0.686,528 0.496,529 0.347,530 21217,531 51595,532 2.116,533 49.3,534 2,535 26,538 1,540 2,541 5,542 1.784,543 2,544 3.718,545 -0.365,550 114.769,551 1.572,552 3.469,553 4.71,554 5.337,555 5.364,556 5.392,557 3.185,558 4.885,559 5.175,560 3.898,561 2595.99,562 9.131,563 42256.2,568 451.857,569 1.338,570 5.15,571 0.183,572 0.008,573 0.07,574 0.03,575 0.041,576 0.025,577 0.018,578 0.012,579 0.01,580 0.007,581 0.405,582 0.17,583 0.75,584 0.922,585 203.436,586 -0.012,587 -0.296,588 0.059,589 -0.131,590 0.058,591 -0.032,592 -0.103,593 0.134,594 0.034,595 0.147,596 0.057,597 0.102,598 -0.015,599 -0.168,600 -0.029,601 -0.083,602 0.095,603 -0.054,604 -0.003,605 0.044,606 -0.022,607 -0.001,608 0.018,609 -0.004,610 0.044,611 -0.031,612 0.036,613 0.01,614 0.06,615 0.015,616 0.065,617 0.045,618 0.027,619 0.023,620 0.072,621 0.022,622 -0.004,623 -0.04,624 0.05,625 0.001,626 0.024,627 0.02,628 -0.119,629 0.122,630 0.001,631 0.094,632 -0.125,633 0.045,634 1.028,635 2.06,636 0.757,637 47.302,638 0.999,639 1.133,640 3.676,641 13.516,642 0.65,643 3.738,644 4.06,645 4.357,646 4.635,647 4.942,648 5.075,649 5.273,650 5.455,651 5.642,652 5.759,653 8.012,654 0.61,655 526.14,656 3.738,657 5.283,658 6.142,659 7.024,660 7.901,661 8.79,662 9.676,663 10.57,664 11.461,665 12.358,666 6.8,669 1,672 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,697 1,699 1,701 2,702 1,703 73,705 17,706 2,707 41,709 77,710 28,711 14,712 6,713 6,717 5,718 6,719 1,724 5,725 1,727 5,729 14,730 14,731 1,747 36,748 8,749 1,750 9,751 1,755 5,760 0.8,761 3,771 1,776 5,780 1,792 1,795 1,796 4,801 3,802 1,805 37,810 9,811 1,812 3,814 2,815 2,824 1,825 4.1,829 1,830 2,832 18.5,833 13.86,834 8.306,835 4.454,836 3.148,837 1.366,838 0.968,839 8.677,840 11.74,841 3.922,842 4.489,843 5.061,844 5.644,845 6.272,846 6.637,847 7.08,848 7.541,849 7.978,850 8.2,851 1,852 62,853 13.696,854 5.73,855 7.517,856 26.939,857 22.403,859 2.017,860 74.611,864 411.989,865 138.348,866 57.83,867 39.149,868 33,871 138.348,872 484.137,873 57.83,874 32.649,875 23.153,876 56.857,877 44.571,878 67.72,879 4.227,880 411.989,881 39.149,882 411.989,883 196.179,884 33,885 39.149,887 329.591,888 104.397,889 11,891 48.332,892 114.276,893 72.72,895 411.989,896 90.83,897 177.497,900 411.989,901 48.842,902 95.755,903 18.011,904 105.719,905 411.989,906 90.83,907 177.497,909 0.573,910 0.343,911 0.189,912 0.109,913 27,914 12,915 0.104,916 8,917 1,918 1.071,919 4.678,920 367.113,921 0.071,922 28,923 184.75,928 26.451,929 12.138,930 6.127,931 1.67,932 90.83,933 11.452,934 9.953,938 4.329,940 18.011,941 680.316,942 49.5,952 72.952,953 82.707,954 0.254,955 0.56,956 0.761,957 0.862,958 0.867,959 0.871,960 5.178,961 1.893,962 6.12,963 6.2,964 4.745,965 5.176,966 2.038,967 6.93,968 4.616,969 6.353,970 1.692,971 7.676,972 5.527,973 4.29,974 4.987,975 0.57,976 7.803,977 4.081,978 7.652,979 1.529,980 9.326,981 4.753,982 6.34,983 7.342,984 1.659,985 10.893,986 6.105,987 8.983,988 1.345,989 11.033,990 4.18,991 6.698,992 7.994,993 0.479,994 12.569,995 6.385,996 10.348,997 1.068,998 12.775,999 3.56,1000 8.197,1001 9.848,1002 1.38,1003 15.167,1004 7.863,1005 11.736,1006 1,1007 14.542,1008 2.546,1009 8.938,1010 10.912,1011 0.346,1012 17.193,1013 8.533,1014 13.141,1015 1,1016 16.325,1017 2.275,1018 10.208,1019 12.562,1020 1.143,1021 19.616,1022 9.777,1023 3.184,1024 1,1025 18.122,1026 2.275,1027 11.139,1028 13.844,1029 0.237,1030 21.806,1031 10.647,1032 2.926,1033 10.706,1034 19.929,1035 1.733,1036 12.313,1037 15.407,1038 0.933,1039 24.167,1040 11.789,1041 2.771,1042 9.278,1043 21.745,1044 4.549,1045 13.34,1046 16.803,1047 0.158,1048 26.435,1049 12.763,1050 2.656,1051 8.973,1052 23.568,1053 3.642,1054 14.477,1055 18.33,1056 0.751,1057 28.779,1058 13.864,1059 2.499,1060 8.468,1061 25.397,1062 3.551,1063 15.553,1064 19.784,1065 0.104,1066 31.087,1067 14.893,1068 2.337,1069 7.285,1070 27.232,1071 3.117,1072 16.679,1073 21.299,1074 0.596,1075 33.43,1076 15.982,1077 2.137,1078 6.836,1079 29.071,1080 2.884,1081 17.781,1082 22.782,1083 0.068,1084 35.76,1085 17.04,1086 20075,1087 31594,1088 27.739,1089 47.432,1090 60.736,1091 61.943,1092 63.075,1093 60.677,1094 60.62,1095 73.659,1096 9.16,1097 174.28,1098 56.446,1099 5.611,1100 5.327,1101 6.398,1102 5.216,1103 5.184,1104 7.549,1105 1.72,1106 17.74,1107 5.048,1108 17.278,1109 1.481,1110 1.511,1111 1.538,1112 1.48,1113 1.479,1114 1.797,1115 0.223,1116 4.251,1117 1.377,1118 4.098,1119 4.133,1120 4.08,1121 3.987,1122 5.095,1123 4.002,1124 3.927,1125 3.983,1126 3.966,1127 3.82,1128 4.936,1129 3.814,1130 3.878,1131 3.903,1132 3.817,1133 3.783,1134 4.762,1135 3.782,1136 3.746,1137 3.804,1138 3.628,1139 3.598,1140 4.64,1141 3.593,1142 3.494,1143 3.533,1144 3.465,1145 3.274,1146 4.5,1147 3.31,1148 3.396,1149 3.456,1150 3.326,1151 3.149,1152 4.393,1153 3.152,1154 3.254,1155 3.319,1156 3.22,1157 2.991,1158 4.346,1159 3.006,1160 3.161,1161 3.245,1162 3.072,1163 2.941,1164 4.151,1165 2.929,1166 0.112,1167 0.081,1168 0.162,1169 0.101,1170 0.078,1171 4.611,1172 0.111,1173 3.327,1174 0.021,1175 6.628,1176 0.261,1177 4.14,1178 0.074,1179 3.184,1180 4.549,1181 0.86,1182 10.706,1183 3.048,1184 2.012,1185 1.989,1186 2.102,1187 2.145,1188 1.488,1189 2.128,1190 1.896,1191 1.844,1192 2.052,1193 2.066,1194 1.346,1195 2.072,1196 1.862,1197 1.835,1198 1.964,1199 1.947,1200 1.181,1201 1.959,1202 1.736,1203 1.678,1204 1.943,1205 1.912,1206 1.048,1207 1.927,1208 1.388,1209 1.347,1210 1.663,1211 1.66,1212 0.922,1213 1.652,1214 1.342,1215 1.278,1216 1.599,1217 1.624,1218 0.825,1219 1.619,1220 1.196,1221 1.123,1222 1.576,1223 1.525,1224 0.697,1225 1.54,1226 1.153,1227 1.064,1228 1.513,1229 1.388,1230 0.597,1231 1.429,1232 4.419,1233 5.74,1235 7.268,1237 8.888,1239 10.558,1241 5.082,1242 6.101,1247 9.775,1248 3.467,1249 16.552,1251 1.251,1252 4.979,1257 44.508,1258 114.769,1259 253.201,1260 343.818,1261 389.593,1262 391.593,1263 393.593,1264 58.618,1265 8.592,1266 71.98,1267 71.98,1268 30,1269 12.884,1270 4.17,1271 3.248,1272 56.597,1273 174,1274 214,1275 0.155,1276 273.263,1277 473.92,1278 658.522,1279 70022,1280 1.4,1281 25.777,1282 0.697,1283 0.612,1284 26.277,1285 22.63,1286 18.072,1287 0.441,1288 0.327,1289 12.813,1290 16.918,1291 12.431,1292 10.288,1293 18.36,1294 13.397,1295 15.841,1296 0.278,1297 0.181,1298 16.25,1299 10.342,1300 13.759,1301 0.179,1302 0.101,1303 14.048,1304 7.765,1305 11.556,1306 0.113,1307 0.056,1308 11.722,1309 5.708,1310 9.957,1311 0.072,1312 0.031,1313 10.193,1314 4.261,1315 0.244,1316 117.417,1317 0.19,1318 33.656,1319 0.423,1320 196,1321 542.323,1322 230.703,1323 541.547,1324 738.18,1325 512,1326 232,1327 518.85,1328 262.831,1329 537.567,1330 787.87,1331 501,1332 7.239}
{0 CHEMBL529664,1 1.407,2 11.676,3 5.729,4 32.82,5 139.816,6 6.236,7 0.289,8 4.394,9 4.535,10 3.824,11 3.867,12 5.261,13 3.822,14 5.031,15 5.246,16 4.171,17 4.303,18 5.82,19 4.222,20 5.341,21 5.603,22 4.285,23 4.507,24 6.064,25 4.388,26 5.425,27 5.698,28 4.28,29 4.545,30 6.161,31 4.409,32 5.437,33 5.72,34 4.215,35 4.515,36 6.161,37 4.368,38 5.335,39 5.613,40 4.199,41 4.452,42 6.077,43 4.317,44 5.273,45 5.531,46 4.206,47 4.435,48 6.041,49 4.323,50 5.297,51 5.532,52 4.215,53 4.457,54 6.084,55 4.349,56 0.077,57 1.107,58 19.031,59 7.061,60 11.358,61 10.533,62 0.418,63 1.827,64 36.254,65 11.968,66 28.436,67 18.195,68 0.51,69 2.308,70 48.601,71 15.444,72 36.708,73 24.582,74 0.581,75 2.438,76 52.799,77 16.744,78 45.321,79 26.476,80 0.676,81 2.375,82 53.466,83 16.442,84 49.499,85 26.322,86 0.633,87 2.229,88 48.338,89 14.978,90 43.761,91 24.022,92 0.501,93 2.166,94 45.824,95 13.762,96 37.492,97 22.262,98 0.556,99 2.181,100 47.47,101 14.384,102 39.604,103 22.457,104 9,105 52,106 0.22,107 0.433,108 0.621,109 0.745,110 0.775,111 0.791,112 3.561,113 1.061,114 -5.5,115 -5.38,116 -5.02,119 36,121 11,124 2,125 4,127 2,138 2,139 1,140 2,142 1,143 1,146 1,163 8,165 3,166 11,169 1,171 3,172 8,175 1,176 5,181 3,183 7,186 2,187 10,190 2,192 3,194 9,197 2,198 3,201 1,203 1,205 4,208 4,209 8,212 1,214 2,217 10,220 1,221 7,227 7,231 16,234 1,238 7,242 9,249 5,252 2206,253 23.825,254 23.825,255 23.825,256 23.825,257 23.825,258 22.618,259 36.077,260 14.26,261 24.555,262 18.7,263 18.7,264 18.7,265 18.7,266 18.7,267 16.626,268 59.582,269 6.671,270 19.73,271 4.822,272 3.46,273 2.256,274 1.46,275 1.267,276 1.167,277 4.274,283 1,284 871,285 2.828,287 96.034,288 275.836,290 127.366,292 150.606,295 1.754,296 21.557,299 0.75,300 0.83,301 1,302 1,303 1,304 1,305 1,306 0.94,307 72.5,308 397,309 4.609,310 3.326,311 6.628,312 4.139,313 3.184,314 4.548,315 0.86,316 10.706,317 3.048,318 4.088,319 3.167,320 6.189,321 3.843,322 2.904,323 3.578,324 0.86,325 9.207,326 2.728,327 3.895,328 3.045,329 6.098,330 3.677,331 2.752,332 3.121,333 0.8,334 8.912,335 2.544,336 3.745,337 2.852,338 5.981,339 3.538,340 2.6,341 2.855,342 0.8,343 8.454,344 2.44,345 3.549,346 2.538,347 5.444,348 3.361,349 2.401,350 2.813,351 0.4,352 7.163,353 2.289,354 3.313,355 2.23,356 5.073,357 2.934,358 1.982,359 2.424,361 5.956,362 1.883,363 3,364 1.973,365 4.65,366 2.859,367 1.889,368 2.06,370 4.977,371 1.828,372 2.834,373 1.966,374 4.468,375 2.7,376 1.717,377 1.886,379 4.372,380 1.688,381 2.685,382 1.699,383 4.257,384 2.471,385 1.548,386 1.691,388 3.779,389 1.423,390 2.542,391 1.554,392 3.79,393 2.414,394 1.414,395 1.546,397 3.494,398 1.414,399 2.414,400 1.414,401 3.532,402 2.297,403 1.381,404 1.414,406 2.916,407 1.259,408 2,409 1.077,410 3.496,411 1.984,412 1,413 1,415 2.275,416 0.983,417 1.956,418 1.069,419 3.414,420 1.815,421 0.864,422 0.907,424 2.047,425 0.818,426 1.829,427 0.991,428 3.266,429 1.631,430 0.718,431 0.792,433 1.637,434 0.651,435 1.618,436 0.938,437 3,438 1.591,439 0.618,440 0.618,442 1.372,443 0.6,444 16.167,445 0.475,446 0.598,447 0.018,448 35,449 1.029,450 12,451 0.353,452 23,453 0.676,454 41.053,455 1.207,456 39.633,457 0.528,458 24.522,459 0.721,460 5.73,461 0.169,462 11.016,463 0.324,464 0.062,466 0.297,472 0.916,473 1.629,474 0.954,475 1.359,476 0.776,477 1.187,478 1.207,479 1.147,480 1.039,481 1.061,482 0.876,483 1.036,484 0.885,485 1.145,486 0.938,487 1.006,488 0.713,489 0.972,490 0.876,491 1.074,492 0.978,493 1.026,494 0.951,495 1.007,496 0.987,497 1.029,498 0.982,499 0.951,500 1.117,501 0.959,502 0.794,503 1.008,504 0.945,505 0.947,506 0.973,507 0.95,508 1.16,509 1.084,510 1.073,511 0.993,512 1.36,513 1.002,514 1.635,515 1.12,516 1.259,517 1.106,518 1.744,519 1.129,520 5.5,521 0.218,522 3.333,523 1.528,524 1.881,525 1.264,526 0.874,527 0.596,528 0.394,529 0.244,530 16651,531 29288,532 2.163,533 54.7,534 10,535 18,538 1,540 8,541 4,542 1.766,543 2.082,544 3.507,545 -0.392,550 105.51,551 1.407,552 2.769,553 3.972,554 4.769,555 4.962,556 5.062,557 2.946,558 4.293,559 5.054,560 3.697,561 2073.9,562 8.903,563 31310.9,568 467.161,569 1.166,570 5.043,571 0.145,572 0.006,573 0.064,574 0.027,575 0.034,576 0.025,577 0.017,578 0.011,579 0.008,580 0.005,581 0.342,582 0.17,583 0.63,584 0.631,585 180.493,586 0.031,587 -0.275,588 0.094,589 -0.112,590 0.148,591 -0.017,592 0.003,593 0.033,594 0.012,595 0.011,596 0.165,597 0.007,598 0.054,599 -0.07,600 0.064,601 0.008,602 0.193,603 0.036,604 0.057,605 -0.021,606 0.02,607 -0.036,608 0.1,609 -0.016,610 0.04,611 -0.018,612 0.018,613 0.015,614 0.024,615 0.013,616 0.126,617 0.045,618 0.053,619 0.026,620 0.056,621 0.031,622 -0.082,623 0.026,624 -0.045,625 -0.003,626 -0.172,627 -0.012,628 -0.21,629 -0.005,630 -0.196,631 -0.098,632 -0.304,633 -0.136,634 0.954,635 2.12,636 0.853,637 38.986,638 0.988,639 1.138,640 4.271,641 18.24,642 0.622,643 3.664,644 3.97,645 4.277,646 4.554,647 4.812,648 5.011,649 5.215,650 5.361,651 5.545,652 5.645,653 7.146,654 0.574,655 467.73,656 3.664,657 5.198,658 6.057,659 6.932,660 7.809,661 8.695,662 9.581,663 10.473,664 11.365,665 12.262,666 6.7,669 1,671 1,672 1,676 2,680 2,681 2,682 2,686 4,688 11,697 1,699 1,701 2,703 75,705 11,706 1,707 38,709 79,710 27,711 8,712 4,713 2,717 5,718 6,724 13,727 13,729 8,730 19,747 41,748 7,749 1,750 7,755 5,760 0.8,761 2,771 1,773 1,775 1,776 3,778 1,780 1,792 1,796 4,801 2,805 34,810 15,811 1,812 2,814 2,815 2,825 2.7,830 2,832 16.333,833 13.717,834 7.639,835 5.217,836 2.344,837 1.282,838 0.968,839 8.083,840 10.662,841 3.795,842 4.311,843 4.879,844 5.461,845 6.07,846 6.502,847 6.931,848 7.328,849 7.702,850 7.794,851 0.875,852 57,853 12.69,854 5.344,855 7.343,856 25.726,857 22.033,859 1.843,860 62.667,864 470.844,865 96.452,866 57.83,868 22,871 96.452,872 492.844,873 57.83,874 21.766,875 36.303,876 18.952,877 51.582,878 43.452,879 4.227,880 470.844,882 470.844,883 154.283,884 22,887 329.591,888 163.253,891 43.47,892 59.231,893 51.582,895 470.844,896 79.83,897 96.452,900 470.844,901 55.734,902 46.967,903 18.011,904 55.571,905 470.844,906 79.83,907 96.452,909 0.569,910 0.342,911 0.19,912 0.102,913 25,914 10,915 0.076,916 6,917 1,918 1.069,919 4.467,920 330.42,921 0.069,922 29,923 158.974,928 24.088,929 11.408,930 5.632,931 1.924,932 79.83,933 4.03,934 10.138,938 3.212,940 18.011,941 647.127,942 43.5,952 74.068,953 85.384,954 0.226,955 0.445,956 0.638,957 0.766,958 0.797,959 0.813,960 5.055,961 1.717,962 6.019,963 4.977,964 4.654,965 4.997,966 1.824,967 6.821,968 4.55,969 6.197,970 1.548,971 7.565,972 4.372,973 4.111,974 4.783,975 0.57,976 7.687,977 3.928,978 7.483,979 1.414,980 9.212,981 3.779,982 6.232,983 7.122,984 1.426,985 10.799,986 6.022,987 8.807,988 1.381,989 10.921,990 3.494,991 6.567,992 7.829,993 0.479,994 12.5,995 6.271,996 10.17,997 1,998 12.67,999 2.916,1000 8.086,1001 9.651,1002 1.153,1003 15.102,1004 7.767,1005 11.56,1006 0.864,1007 14.444,1008 2.275,1009 8.83,1010 10.782,1011 0.346,1012 17.146,1013 8.433,1014 12.972,1015 0.718,1016 16.237,1017 2.047,1018 10.106,1019 12.414,1020 0.931,1021 19.572,1022 9.682,1023 3.184,1024 0.618,1025 18.043,1026 1.637,1027 11.047,1028 13.747,1029 0.237,1030 21.771,1031 10.558,1032 2.904,1033 10.706,1034 19.859,1035 1.372,1036 12.225,1037 15.304,1038 0.742,1039 24.135,1040 11.703,1041 2.752,1042 9.207,1043 21.683,1044 4.548,1045 13.261,1046 16.733,1047 0.158,1048 26.408,1049 12.684,1050 2.6,1051 8.912,1052 23.513,1053 3.578,1054 14.402,1055 18.261,1056 0.583,1057 28.754,1058 13.789,1059 2.401,1060 8.454,1061 25.348,1062 3.121,1063 15.485,1064 19.735,1065 0.104,1066 31.065,1067 14.824,1068 1.982,1069 7.163,1070 27.188,1071 2.855,1072 16.615,1073 21.252,1074 0.452,1075 33.409,1076 15.916,1077 1.889,1078 5.956,1079 29.031,1080 2.813,1081 17.722,1082 22.747,1083 0.068,1084 35.741,1085 16.98,1086 15533,1087 20859,1088 26.235,1089 46.643,1090 55.232,1091 56.272,1092 57.07,1093 55.571,1094 55.49,1095 64.173,1096 7.44,1097 157.284,1098 52.584,1099 5.609,1100 5.326,1101 6.507,1102 5.216,1103 5.184,1104 7.548,1105 1.72,1106 17.74,1107 5.048,1108 11.229,1109 1.453,1110 1.481,1111 1.502,1112 1.462,1113 1.46,1114 1.689,1115 0.196,1116 4.139,1117 1.384,1118 4.096,1119 4.133,1120 4.065,1121 3.981,1122 5.085,1123 3.997,1124 3.913,1125 3.973,1126 3.803,1127 3.765,1128 4.763,1129 3.765,1130 3.85,1131 3.909,1132 3.707,1133 3.732,1134 4.499,1135 3.718,1136 3.7,1137 3.767,1138 3.582,1139 3.54,1140 4.391,1141 3.536,1142 3.519,1143 3.573,1144 3.419,1145 3.328,1146 4.328,1147 3.34,1148 3.396,1149 3.476,1150 3.244,1151 3.253,1152 4.163,1153 3.227,1154 3.39,1155 3.454,1156 3.189,1157 3.203,1158 4.093,1159 3.211,1160 3.251,1161 3.316,1162 3.067,1163 2.969,1164 3.941,1165 2.981,1166 0.121,1167 0.088,1168 0.174,1169 0.109,1170 0.084,1171 4.609,1172 0.12,1173 3.326,1174 0.023,1175 6.628,1176 0.282,1177 4.139,1178 0.08,1179 3.184,1180 4.548,1181 0.86,1182 10.706,1183 3.048,1184 2.009,1185 1.985,1186 2.107,1187 2.144,1188 1.477,1189 2.126,1190 1.858,1191 1.801,1192 2.059,1193 2.016,1194 1.419,1195 2.039,1196 1.823,1197 1.764,1198 2.001,1199 1.989,1200 1.211,1201 2,1202 1.577,1203 1.507,1204 1.86,1205 1.751,1206 1.182,1207 1.793,1208 1.478,1209 1.418,1210 1.739,1211 1.711,1212 1.077,1213 1.705,1214 1.432,1215 1.356,1216 1.725,1217 1.649,1218 1.062,1219 1.666,1220 1.407,1221 1.333,1222 1.649,1223 1.621,1224 0.95,1225 1.66,1226 1.304,1227 1.24,1228 1.587,1229 1.561,1230 0.825,1231 1.573,1232 4.344,1233 5.652,1234 2.398,1235 7.157,1236 4.443,1237 8.761,1238 6.293,1239 10.423,1241 3.369,1247 18.707,1248 3.831,1249 11.206,1251 1.177,1252 5.073,1257 43.019,1258 105.51,1259 207.686,1260 297.934,1261 357.677,1262 372.142,1263 379.652,1264 51.462,1265 8.319,1266 62.75,1267 62.75,1268 31,1269 12.787,1270 3.585,1271 2.7,1272 49.658,1273 142,1274 152,1275 0.166,1276 260.124,1277 451.44,1278 626.462,1279 49521,1281 23.33,1282 0.686,1283 0.618,1284 23.33,1285 21.021,1286 16.746,1287 0.441,1288 0.354,1289 13.252,1290 16.06,1291 12.967,1292 10.737,1293 16.746,1294 13.442,1295 14.39,1296 0.277,1297 0.197,1298 14.39,1299 10.244,1300 12.728,1301 0.179,1302 0.113,1303 12.728,1304 8.04,1305 10.765,1306 0.115,1307 0.064,1308 10.765,1309 6.026,1310 8.69,1311 0.071,1312 0.035,1313 8.69,1314 4.212,1315 0.258,1316 105.08,1317 0.195,1318 31.216,1319 0.466,1320 180,1321 422.384,1322 196.969,1323 400.217,1324 565.7,1325 382,1326 213,1327 428.978,1328 231.58,1329 432.46,1330 640.22,1331 407,1332 5.921}
{0 CHEMBL589276,1 1.476,2 10.731,3 3.644,4 13.278,5 101.909,6 6.676,7 0.214,8 4.07,9 4.191,10 3.528,11 3.534,12 5.112,13 3.507,14 4.649,15 4.849,16 3.906,17 3.944,18 5.639,19 3.894,20 4.942,21 5.159,22 4.052,23 4.161,24 5.884,25 4.085,26 5.091,27 5.325,28 4.09,29 4.223,30 6.132,31 4.121,32 5.184,33 5.433,34 3.903,35 4.179,36 6.14,37 4.057,38 5.067,39 5.343,40 3.748,41 4.056,42 6.064,43 3.892,44 4.919,45 5.221,46 3.429,47 3.854,48 5.726,49 3.669,50 4.641,51 4.934,52 3.284,53 3.607,54 5.464,55 3.456,56 0.038,57 0.749,58 12.885,59 5.18,60 10.634,61 7.127,62 0.254,63 1.222,64 23.978,65 8.172,66 29.297,67 12.051,68 0.378,69 1.536,70 32.536,71 11.243,72 32.142,73 16.25,74 0.515,75 1.676,76 38.027,77 12.963,78 70.006,79 19.035,80 0.733,81 1.663,82 43.175,83 12.867,84 87.598,85 18.861,86 0.685,87 1.494,88 37.886,89 12.052,90 101.057,91 18.222,92 0.484,93 1.254,94 32.824,95 9.942,96 61.692,97 15.377,98 0.402,99 0.952,100 24.884,101 7.438,102 45.923,103 11.378,104 43,105 40,106 0.249,107 0.538,108 0.728,109 0.788,110 0.801,111 0.801,112 3.304,113 1.008,114 -3.56,115 -3.53,116 -3.37,119 37,120 3,121 2,122 1,125 5,135 1,137 1,138 2,139 1,140 3,151 1,163 6,165 1,166 4,171 4,172 7,175 3,176 6,181 1,183 4,187 7,190 2,191 1,192 3,194 3,198 4,201 1,203 1,208 2,209 5,212 2,214 1,221 2,224 1,227 1,231 4,234 1,238 4,242 4,249 6,252 1004,253 17.326,254 17.326,255 17.326,256 17.326,257 17.326,258 16.13,259 22.404,260 9.915,261 17.705,262 13.65,263 13.65,264 13.65,265 13.65,266 13.65,267 11.766,268 31.563,269 4.517,270 14.281,271 4.279,272 2.563,273 1.435,274 1.079,275 1.005,276 1.005,277 3.981,281 1,282 1,283 1,284 584,285 3.24,288 219.283,292 118.947,295 1.731,296 32.43,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 57,308 279,309 4.651,310 3.81,311 6.993,312 4.277,313 3.308,314 4.295,315 1.674,316 11.82,317 3.204,318 4.134,319 3.173,320 6.383,321 3.79,322 2.838,323 3.591,324 0.8,325 9.648,326 2.7,327 3.662,328 3.028,329 5.568,330 3.578,331 2.618,332 2.79,333 0.8,334 7.604,335 2.52,336 3.507,337 2.771,338 5.295,339 3.219,340 2.255,341 2.679,343 6.454,344 2.161,345 3.397,346 2.465,347 5.182,348 3.131,349 2.174,350 2.579,352 6.285,353 2.067,354 3.21,355 2.3,356 5.006,357 2.954,358 2.027,359 2.266,361 5.823,362 1.865,363 3.048,364 2.221,365 4.819,366 2.666,367 1.703,368 2.121,370 5.061,371 1.622,372 2.798,373 1.994,374 4.656,375 2.547,376 1.602,377 1.796,379 4.447,380 1.503,381 2,382 1.146,383 3.414,384 1.967,385 1,386 1,388 2.275,389 0.965,390 1.618,391 1.007,392 3.373,393 1.618,394 0.618,395 0.618,397 0.979,398 0.618,399 1.592,400 0.618,401 3.059,402 1.389,403 0.415,404 0.438,406 0.791,407 0.401,408 1.3,409 0.594,410 2.875,411 1.093,412 0.117,413 0.13,415 0.241,416 0.113,417 1.153,418 0.307,419 2.647,420 0.902,421 -0.048,422 -0.055,424 -0.124,425 -0.045,426 1,427 0.228,428 2.618,429 0.684,430 -0.275,431 -0.333,433 -0.657,434 -0.261,435 0.703,436 -0.07,437 2.335,438 0.474,439 -0.503,440 -0.549,442 -1.082,443 -0.475,444 12.133,445 0.467,446 0.733,447 0.028,448 27.25,449 1.048,450 10.5,451 0.404,452 16.75,453 0.644,454 27.493,455 1.057,456 30.467,457 0.564,458 20.295,459 0.781,460 4.975,461 0.191,462 7.464,463 0.287,464 0.206,466 0.396,472 0.885,473 1.5,474 0.91,475 1.267,476 0.799,477 1.118,478 0.739,479 1.143,480 0.838,481 1.004,482 0.447,483 0.926,484 0.814,485 1.048,486 0.912,487 1.038,488 0.699,489 0.991,490 0.606,491 1.199,492 0.872,493 1.178,494 0.537,495 1.081,496 1.393,497 0.945,498 1.154,499 0.94,500 1.357,501 0.997,502 0.67,503 1.015,504 0.92,505 1.016,506 0.671,507 1.016,508 0.844,509 0.877,510 0.936,511 0.872,512 0.945,513 0.911,514 0.947,515 0.759,516 0.902,517 0.767,518 0.933,519 0.812,520 6,521 0.157,522 2.889,523 2.938,524 2.062,525 1.132,526 0.664,527 0.295,528 0.332,529 0.176,530 7320,531 16969,532 1.992,533 51.9,534 13,535 12,538 2,540 1,542 1.69,543 1.814,544 3.335,545 0.251,547 1,550 79.719,551 1.476,552 3.192,553 4.32,554 4.676,555 4.75,556 4.75,557 2.907,558 4.239,559 4.666,560 3.527,561 1146.23,562 8.086,563 14045.3,565 1,567 1,568 310.764,569 1.549,570 4.601,571 0.214,572 0.009,573 0.072,574 0.065,575 0.047,576 0.032,577 0.023,578 0.014,579 0.017,580 0.009,581 0.503,582 0.33,583 1,584 1.315,585 126.667,586 -0.064,587 -0.194,588 0.038,589 -0.046,590 -0.072,591 0.001,592 0.063,593 0.05,594 0.124,595 0.064,596 0.136,597 0.108,598 0.04,599 0.067,600 0.053,601 0.006,602 0.022,603 0.029,604 0.223,605 -0.16,606 0.085,607 -0.15,608 0.231,609 -0.065,610 -0.177,611 0.004,612 -0.135,614 -0.155,615 -0.053,616 0.179,617 -0.081,618 0.042,619 -0.063,620 0.215,621 -0.042,622 -0.018,623 0.025,624 0.027,625 0.039,626 -0.064,627 0.041,628 -0.03,629 0.157,630 0.078,631 0.141,632 -0.061,633 0.133,634 2.089,635 5.543,636 0.615,637 24.71,638 1,639 1.134,640 2.331,641 5.434,642 0.625,643 3.367,644 3.714,645 4.007,646 4.304,647 4.511,648 4.644,649 4.71,650 4.883,651 4.905,652 4.898,653 6.226,654 0.588,655 360.5,656 3.367,657 4.92,658 5.784,659 6.683,660 7.565,661 8.473,662 9.362,663 10.275,664 11.17,665 12.087,666 3.7,669 2,681 2,686 4,688 6,700 2,703 54,705 8,706 1,707 28,709 56,710 20,711 6,712 4,713 2,714 3,717 3,718 4,721 3,727 2,729 9,730 11,731 1,733 2,737 1,741 3,743 1,744 1,747 28,748 6,749 2,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 3,805 26,809 2,810 7,812 1,814 1,815 2,825 7.4,827 2,828 1,830 1,832 14.333,833 10.383,834 5.833,835 3.671,836 1.689,837 1.231,838 0.907,839 5.903,840 9.001,841 3.526,842 4.069,843 4.588,844 5.128,845 5.579,846 5.921,847 6.089,848 6.472,849 6.607,850 6.641,851 1,852 45,853 9.715,854 4.161,855 7.808,856 18.682,857 15.536,859 2.308,860 60,862 1,863 1,864 306.049,865 82.588,866 6.249,868 121.512,871 82.588,872 427.56,873 6.249,874 26.476,875 15.598,876 18.952,877 120.46,878 28.863,880 306.049,882 306.049,883 88.837,884 121.512,887 294.278,888 133.283,891 48.322,892 37.758,893 2.757,895 306.049,896 127.76,897 82.588,900 306.049,901 37.16,902 51.677,904 121.512,905 306.049,906 127.76,907 82.588,909 0.584,910 0.356,911 0.197,912 0.1,913 19,914 10,915 0.089,916 5,917 1,918 1.125,919 3.63,920 220.092,921 0.125,922 16,923 114.211,928 19.21,929 7.989,930 3.927,932 127.76,933 2.632,938 0.494,940 85.367,941 516.397,942 33,946 12.543,950 0.788,952 54,953 61.232,954 0.257,955 0.555,956 0.751,957 0.813,958 0.825,959 0.825,960 4.808,961 1.602,962 5.796,963 5.061,964 4.394,965 4.754,966 2.143,967 6.653,968 4.306,969 6.005,970 1,971 7.388,972 4.447,973 4.111,974 4.691,975 0.57,976 7.656,977 3.976,978 7.325,979 0.618,980 9.079,981 2.275,982 6.033,983 6.872,984 2.87,985 10.785,986 5.865,987 8.676,988 0.415,989 10.826,990 0.979,991 6.524,992 7.603,993 0.479,994 12.612,995 6.322,996 10.061,997 0.117,998 12.61,999 0.791,1000 7.958,1001 9.337,1002 3.82,1003 15.298,1004 7.722,1005 11.47,1006 -0.048,1007 14.423,1008 0.241,1009 8.813,1010 10.44,1011 0.346,1012 17.49,1013 8.548,1014 12.9,1015 -0.275,1016 16.257,1017 -0.124,1018 10.069,1019 12.008,1020 4.828,1021 20.025,1022 9.771,1023 3.308,1024 -0.503,1025 18.109,1026 -0.657,1027 11.097,1028 13.289,1029 0.237,1030 22.372,1031 10.772,1032 2.838,1033 11.82,1034 19.976,1035 -1.082,1036 12.291,1037 14.788,1038 5.851,1039 24.855,1040 11.934,1041 2.618,1042 9.648,1043 21.855,1044 4.295,1045 13.401,1046 16.155,1047 0.158,1048 27.268,1049 13.016,1050 2.255,1051 7.604,1052 23.744,1053 3.591,1054 14.578,1055 17.626,1056 6.88,1057 29.735,1058 14.163,1059 2.174,1060 6.454,1061 25.641,1062 2.79,1063 15.726,1064 19.035,1065 0.104,1066 32.176,1067 15.282,1068 2.027,1069 6.285,1070 27.545,1071 2.679,1072 16.902,1073 20.494,1074 7.91,1075 34.639,1076 16.428,1077 1.703,1078 5.823,1079 29.455,1080 2.579,1081 18.069,1082 21.924,1083 0.068,1084 37.093,1085 17.566,1086 7314,1087 11454,1088 17.918,1089 33.728,1090 41.549,1091 42.605,1092 44.674,1093 41.49,1094 41.35,1095 48.605,1096 6.549,1097 122.859,1098 39.479,1099 5.651,1100 5.81,1101 6.611,1102 5.369,1103 5.308,1104 7.295,1105 3.349,1106 19.407,1107 5.204,1108 15.973,1109 1.484,1110 1.522,1111 1.596,1112 1.482,1113 1.477,1114 1.736,1115 0.234,1116 4.388,1117 1.41,1118 4.028,1119 4.049,1120 3.994,1121 3.925,1122 7.433,1123 3.939,1124 3.855,1125 3.908,1126 3.746,1127 3.708,1128 6.493,1129 3.705,1130 3.698,1131 3.76,1132 3.576,1133 3.554,1134 6.446,1135 3.553,1136 3.496,1137 3.531,1138 3.399,1139 3.348,1140 4.702,1141 3.351,1142 3.306,1143 3.407,1144 3.059,1145 3.123,1146 4.388,1147 3.089,1148 3.158,1149 3.214,1150 3.04,1151 2.941,1152 4.206,1153 2.925,1154 3.111,1155 3.206,1156 2.896,1157 2.898,1158 4.031,1159 2.91,1160 3.086,1161 3.152,1162 2.866,1163 2.839,1164 3.951,1165 2.84,1166 0.166,1167 0.136,1168 0.25,1169 0.153,1170 0.118,1171 4.651,1172 0.153,1173 3.81,1174 0.06,1175 6.993,1176 0.422,1177 4.277,1178 0.114,1179 3.308,1180 4.295,1181 1.674,1182 11.82,1183 3.204,1184 1.951,1185 1.94,1186 2.066,1187 2.087,1188 1.409,1189 2.076,1190 1.829,1191 1.77,1192 2.008,1193 1.997,1194 1.265,1195 2.002,1196 1.689,1197 1.629,1198 1.904,1199 1.871,1200 1.125,1201 1.891,1202 1.462,1203 1.421,1204 1.725,1205 1.64,1206 0.869,1207 1.645,1208 1.351,1209 1.256,1210 1.671,1211 1.584,1212 0.825,1213 1.638,1214 1.153,1215 1.064,1216 1.513,1217 1.387,1218 0.778,1219 1.429,1220 1.106,1221 1.025,1222 1.463,1223 1.376,1224 0.67,1225 1.413,1226 1.014,1227 0.968,1228 1.249,1229 1.325,1230 0.365,1231 1.3,1232 4.043,1233 5.38,1235 6.925,1237 8.572,1239 10.276,1241 6.29,1246 19.808,1247 6.828,1249 5.384,1251 0.721,1252 4.512,1257 31.75,1258 79.719,1259 172.36,1260 233.28,1261 252.499,1262 256.499,1263 256.499,1264 60.728,1265 7.311,1266 77.15,1267 77.15,1268 18,1269 12.602,1270 3.17,1271 2.585,1272 44.447,1273 95,1274 102,1275 0.232,1276 195.374,1277 350.54,1278 468.472,1279 13498,1281 18.845,1282 0.725,1283 0.607,1284 18.845,1285 15.787,1286 12.439,1287 0.444,1288 0.336,1289 9.275,1290 11.917,1291 8.983,1292 7.487,1293 12.439,1294 9.408,1295 11.24,1296 0.281,1297 0.179,1298 11.24,1299 7.171,1300 9.484,1301 0.176,1302 0.103,1303 9.484,1304 5.552,1305 8.433,1306 0.116,1307 0.053,1308 8.433,1309 3.896,1310 6.099,1311 0.068,1312 0.028,1313 6.099,1314 2.551,1315 0.361,1316 78.37,1317 0.236,1318 24.946,1319 0.643,1320 136,1321 389.061,1322 151.235,1323 367.72,1324 497.36,1325 342,1326 162,1327 365.899,1328 177.961,1329 366.15,1330 542.51,1331 344,1332 5}
{0 CHEMBL589521,1 1.545,2 8.783,3 2.042,4 4.169,5 88.501,6 7.076,7 0.24,8 3.911,9 4.021,10 3.44,11 3.343,12 4.973,13 3.345,14 4.491,15 4.684,16 3.797,17 3.72,18 5.504,19 3.718,20 4.641,21 4.807,22 3.944,23 3.951,24 5.645,25 3.917,26 4.834,27 5.029,28 3.984,29 4.03,30 5.862,31 3.96,32 4.932,33 5.15,34 3.855,35 3.951,36 5.955,37 3.884,38 4.774,39 4.978,40 3.672,41 3.794,42 5.859,43 3.713,44 4.618,45 4.867,46 3.401,47 3.668,48 5.528,49 3.541,50 4.513,51 4.755,52 3.012,53 3.467,54 5.448,55 3.297,56 0.036,57 0.628,58 10.151,59 4.132,60 6.295,61 5.526,62 0.444,63 0.986,64 20.615,65 6.098,66 30.615,67 8.709,68 0.368,69 1.191,70 22.867,71 8.394,72 17.444,73 11.325,74 0.496,75 1.325,76 28.424,77 10.451,78 34.781,79 14.541,80 0.688,81 1.288,82 33.577,83 10.104,84 63.865,85 13.957,86 0.862,87 1.102,88 28.818,89 8.493,90 70.982,91 11.736,92 0.421,93 0.984,94 24.142,95 7.699,96 35.102,97 11.214,98 0.491,99 0.824,100 22.235,101 6.81,102 53.536,103 9.739,104 30,105 36,106 0.271,107 0.546,108 0.726,109 0.772,110 0.788,111 0.811,112 3.19,113 0.921,114 -2.86,115 -2.87,116 -2.78,119 37.8,120 1,124 3,125 4,135 1,137 1,138 2,139 1,140 3,151 1,163 2,165 1,166 7,172 4,175 3,176 5,183 2,186 3,187 8,194 2,197 1,198 4,208 4,209 4,220 1,230 1,231 2,252 630,253 15.464,254 15.464,255 15.464,256 15.464,257 15.464,258 14.373,259 25.136,260 8.827,261 16.127,262 12.177,263 12.177,264 12.177,265 12.177,266 12.177,267 10.277,268 36.772,269 4.001,270 13.025,271 3.947,272 2.382,273 1.356,274 1.089,275 1,276 0.867,277 3.865,281 1,282 1,283 1,284 427,285 2.55,288 174.888,292 94.058,295 1.463,296 23.523,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 51,308 202,309 4.659,310 3.812,311 7.007,312 4.285,313 3.316,314 4.306,315 1.674,316 11.9,317 3.209,318 4.155,319 3.234,320 6.414,321 3.802,322 2.851,323 3.608,324 0.86,325 9.8,326 2.708,327 3.58,328 2.994,329 5.388,330 3.357,331 2.425,332 2.852,333 0.86,334 6.884,335 2.253,336 3.501,337 2.714,338 5.32,339 3.198,340 2.257,341 2.655,342 0.8,343 6.642,344 2.115,345 3.332,346 2.559,347 5.132,348 3.01,349 2.1,350 2.434,351 0.8,352 6.152,353 1.901,354 3.113,355 2.444,356 4.854,357 2.72,358 1.76,359 2.194,361 5.071,362 1.665,363 2.829,364 2.105,365 4.794,366 2.61,367 1.681,368 1.827,370 4.888,371 1.553,372 2,373 1.189,374 3.47,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.779,382 1.146,383 3.414,384 1.443,385 0.532,386 0.619,388 1.114,389 0.476,390 1.593,391 1.052,392 3.152,393 1.328,394 0.482,395 0.522,397 0.684,398 0.405,399 1.34,400 0.83,401 2.819,402 1.138,403 0.19,404 0.2,406 0.402,407 0.178,408 1.179,409 0.539,410 2.702,411 0.837,412 -0.117,413 -0.145,415 -0.303,416 -0.11,417 0.767,418 -0.02,419 2.363,420 0.549,421 -0.4,422 -0.433,424 -0.909,425 -0.374,426 0.645,427 -0.12,428 2.229,429 0.373,430 -0.583,431 -0.705,433 -1.299,434 -0.55,435 0.523,436 -0.372,437 2,438 0.08,439 -0.888,440 -1,442 -2.224,443 -0.835,444 10.633,445 0.462,446 0.627,447 0.027,448 26.25,449 1.141,450 10.5,451 0.457,452 15.75,453 0.685,454 20.607,455 0.896,456 26.567,457 0.59,458 20.145,459 0.876,460 5.512,461 0.24,462 5.533,463 0.241,464 0.219,466 0.404,472 0.83,473 1.662,474 0.799,475 1.393,476 0.609,477 1.132,478 1.176,479 0.834,480 0.827,481 0.663,482 0.616,483 0.643,484 0.92,485 1.036,486 0.953,487 1.07,488 0.737,489 1.017,490 0.596,491 1.251,492 0.859,493 1.276,494 0.726,495 1.146,496 1.439,497 0.987,498 1.102,499 0.987,500 1.816,501 0.984,502 1.394,503 0.999,504 1.245,505 1.008,506 1.456,507 1.095,508 0.932,509 0.996,510 1.058,511 1.05,512 0.896,513 1.074,514 1.276,515 1.118,516 1.353,517 1.166,518 2.057,519 1.278,520 5,521 0.049,522 2.667,523 2.563,524 2.102,525 1.222,526 0.727,527 0.205,528 0.209,529 0.076,530 4773,531 12246,532 2.016,533 48.9,534 3,535 19,542 1.664,543 1.84,544 3.077,545 -0.729,546 1,547 1,548 1,550 69.539,551 1.545,552 3.11,553 4.136,554 4.403,555 4.491,556 4.625,557 2.699,558 3.915,559 4.491,560 3.187,561 806.194,562 7.769,563 8701.69,565 1,567 1,568 247.133,569 1.538,570 4.428,571 0.2,572 0.01,573 0.074,574 0.063,575 0.053,576 0.036,577 0.027,578 0.01,579 0.017,580 0.008,581 0.497,582 0.67,583 1,584 0.982,585 104.799,586 -0.022,587 -0.391,588 0.086,589 -0.222,590 -0.012,591 -0.074,592 -0.081,593 0.296,594 0.164,595 0.315,596 0.114,597 0.308,598 -0.013,599 0.137,600 -0.023,601 0.006,602 0.003,603 -0.006,604 0.24,605 -0.205,606 0.071,607 -0.209,608 0.152,609 -0.116,610 -0.177,611 -0.052,612 -0.08,613 -0.027,614 -0.21,615 -0.035,616 -0.04,617 -0.049,618 -0.213,619 -0.053,620 -0.029,621 -0.161,622 -0.058,623 -0.032,624 -0.094,625 -0.08,626 -0.001,627 -0.091,628 -0.184,629 -0.22,630 -0.358,631 -0.213,632 -0.373,633 -0.318,634 1.977,635 5.53,636 0.696,637 16.877,638 1.008,639 1.133,640 1.634,641 2.669,642 0.632,643 3.258,644 3.611,645 3.932,646 4.248,647 4.511,648 4.635,649 4.727,650 4.779,651 4.828,652 4.745,653 5.034,654 0.604,655 318.41,656 3.258,657 4.812,658 5.687,659 6.594,660 7.491,661 8.407,662 9.311,663 10.231,664 11.139,665 12.061,666 4.4,669 2,681 2,686 4,688 6,701 2,703 45,705 8,706 1,707 25,709 47,710 17,711 6,712 4,713 2,714 3,717 3,718 4,721 1,729 9,730 8,733 2,737 1,741 3,743 1,744 1,747 22,748 6,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 4,805 23,810 4,812 3,815 2,825 8.9,828 1,830 3,832 12.5,833 9.483,834 5.167,835 2.588,836 1.721,837 1.244,838 0.944,839 4.617,840 8.776,841 3.434,842 3.998,843 4.567,844 5.137,845 5.641,846 5.993,847 6.255,848 6.524,849 6.729,850 6.689,851 1,852 41,853 8.525,854 3.558,855 7.725,856 16.327,857 13.134,859 2.225,860 51.167,864 258.964,865 98.413,866 6.249,868 58.145,871 98.413,872 317.109,873 6.249,874 38.988,875 8.423,876 18.952,877 35.093,878 61.35,880 258.964,882 258.964,883 104.661,884 58.145,887 258.964,888 58.145,891 23.497,892 78.408,893 2.757,895 258.964,896 64.393,897 98.413,900 258.964,901 40.472,902 64.189,904 58.145,905 258.964,906 64.393,907 98.413,909 0.583,910 0.361,911 0.205,912 0.118,913 18,914 9,915 0.064,916 3,917 1,918 1.125,919 3.315,920 192.191,921 0.125,922 16,923 100.042,928 16.305,929 6.513,930 2.963,932 64.393,933 3.531,938 2.559,941 421.77,942 30,946 12.53,950 1.212,952 45.349,953 50.986,954 0.281,955 0.566,956 0.753,957 0.802,958 0.818,959 0.842,960 4.714,961 1,962 5.7,963 4.888,964 4.29,965 4.682,966 2.441,967 6.575,968 4.173,969 5.92,970 0.532,971 7.302,972 2.275,973 4.007,974 4.635,975 0.57,976 7.612,977 3.857,978 7.249,979 0.482,980 9.002,981 1.114,982 5.943,983 6.843,984 2.987,985 10.756,986 5.735,987 8.612,988 0.19,989 10.761,990 0.684,991 6.447,992 7.59,993 0.479,994 12.618,995 6.217,996 10.009,997 -0.117,998 12.558,999 0.402,1000 7.89,1001 9.338,1002 3.855,1003 15.314,1004 7.617,1005 11.43,1006 -0.4,1007 14.382,1008 -0.303,1009 8.762,1010 10.451,1011 0.346,1012 17.529,1013 8.469,1014 12.871,1015 -0.583,1016 16.227,1017 -0.909,1018 10.026,1019 12.024,1020 4.837,1021 20.072,1022 9.697,1023 3.316,1024 -0.888,1025 18.089,1026 -1.299,1027 11.069,1028 13.312,1029 0.237,1030 22.434,1031 10.719,1032 2.851,1033 11.9,1034 19.966,1035 -2.224,1036 12.271,1037 14.814,1038 5.854,1039 24.924,1040 11.89,1041 2.425,1042 9.8,1043 21.853,1044 4.306,1045 13.393,1046 16.186,1047 0.158,1048 27.347,1049 12.986,1050 2.257,1051 6.884,1052 23.749,1053 3.608,1054 14.577,1055 17.658,1056 6.88,1057 29.82,1058 14.141,1059 2.1,1060 6.642,1061 25.654,1062 2.852,1063 15.735,1064 19.071,1065 0.104,1066 32.269,1067 15.271,1068 1.76,1069 6.152,1070 27.564,1071 2.655,1072 16.917,1073 20.531,1074 7.91,1075 34.738,1076 16.424,1077 1.681,1078 5.071,1079 29.479,1080 2.434,1081 18.091,1082 21.965,1083 0.068,1084 37.199,1085 17.569,1086 4784,1087 7799,1088 16.126,1089 28.443,1090 37.36,1091 39.017,1092 40.292,1093 37.127,1094 37.19,1095 44.437,1096 9.989,1097 111.621,1098 34.857,1099 5.659,1100 5.812,1101 6.555,1102 5.378,1103 5.316,1104 7.306,1105 3.349,1106 19.495,1107 5.209,1108 13.087,1109 1.494,1110 1.561,1111 1.612,1112 1.485,1113 1.488,1114 1.777,1115 0.4,1116 4.465,1117 1.394,1118 4.03,1119 4.045,1120 3.999,1121 3.928,1122 7.433,1123 3.942,1124 3.807,1125 3.868,1126 3.708,1127 3.624,1128 4.952,1129 3.636,1130 3.543,1131 3.576,1132 3.466,1133 3.382,1134 4.584,1135 3.393,1136 3.301,1137 3.351,1138 3.16,1139 3.004,1140 4.509,1141 3.03,1142 3.178,1143 3.27,1144 3.008,1145 2.941,1146 4.366,1147 2.91,1148 3.145,1149 3.231,1150 2.944,1151 2.908,1152 4.074,1153 2.909,1154 3.111,1155 3.206,1156 2.873,1157 2.891,1158 3.88,1159 2.887,1160 3.081,1161 3.126,1162 2.866,1163 2.8,1164 3.765,1165 2.813,1166 0.186,1167 0.152,1168 0.28,1169 0.171,1170 0.133,1171 4.659,1172 0.172,1173 3.812,1174 0.067,1175 7.007,1176 0.476,1177 4.285,1178 0.128,1179 3.316,1180 4.306,1181 1.674,1182 11.9,1183 3.209,1184 1.953,1185 1.944,1186 2.036,1187 2.084,1188 1.307,1189 2.069,1190 1.759,1191 1.695,1192 1.945,1193 1.965,1194 1.147,1195 1.962,1196 1.491,1197 1.453,1198 1.699,1199 1.689,1200 0.825,1201 1.687,1202 1.221,1203 1.158,1204 1.586,1205 1.553,1206 0.798,1207 1.56,1208 1.156,1209 1.064,1210 1.54,1211 1.45,1212 0.636,1213 1.484,1214 1.153,1215 1.057,1216 1.52,1217 1.416,1218 0.582,1219 1.454,1220 1.131,1221 1.041,1222 1.513,1223 1.376,1224 0.553,1225 1.429,1226 0.993,1227 0.946,1228 1.228,1229 1.301,1230 0.32,1231 1.278,1232 3.932,1233 5.273,1235 6.832,1237 8.497,1239 10.219,1241 7.211,1247 3.478,1249 16.294,1252 4.351,1257 27.17,1258 69.539,1259 139.94,1260 186.114,1261 198.114,1262 202.114,1263 208.114,1264 37.784,1265 7.055,1266 55.15,1267 55.15,1268 18,1269 12.571,1270 3.17,1271 2.585,1272 36.582,1273 70,1274 76,1275 0.273,1276 166.597,1277 298.64,1278 398.256,1279 9201,1281 16.56,1282 0.72,1283 0.609,1284 16.56,1285 14.011,1286 11.045,1287 0.442,1288 0.307,1289 7.488,1290 10.341,1291 7.178,1292 5.988,1293 11.045,1294 7.678,1295 9.921,1296 0.276,1297 0.163,1298 9.921,1299 5.856,1300 8.613,1301 0.172,1302 0.089,1303 8.613,1304 4.441,1305 7.51,1306 0.109,1307 0.045,1308 7.51,1309 3.111,1310 6.122,1311 0.068,1312 0.024,1313 6.122,1314 2.195,1315 0.409,1316 71.168,1317 0.249,1318 21.93,1319 0.812,1320 122,1321 398.232,1322 138.452,1323 365.071,1324 496.68,1325 344,1326 147,1327 361.577,1328 164.455,1329 364.106,1330 536.51,1331 337,1332 6.321}
{0 CHEMBL598070,1 1.602,2 8.19,3 1.54,4 2.371,5 78.963,6 7.445,7 0.261,8 3.788,9 3.893,10 3.34,11 3.237,12 4.932,13 3.247,14 4.334,15 4.512,16 3.738,17 3.641,18 5.458,19 3.641,20 4.583,21 4.753,22 3.859,23 3.855,24 5.682,25 3.822,26 4.735,27 4.943,28 3.869,29 3.869,30 5.932,31 3.807,32 4.754,33 4.963,34 3.621,35 3.722,36 5.894,37 3.663,38 4.517,39 4.749,40 3.461,41 3.519,42 5.781,43 3.437,44 4.288,45 4.511,46 3.102,47 3.331,48 5.375,49 3.224,50 4.156,51 4.409,52 2.718,53 3.085,54 5.147,55 2.93,56 0.102,57 0.558,58 8.356,59 3.514,60 12.87,61 4.487,62 0.341,63 0.903,64 16.22,65 5.365,66 25.391,67 7.499,68 0.426,69 1.101,70 20.877,71 7.659,72 31.14,73 10.143,74 0.579,75 1.157,76 25.788,77 9.124,78 66.072,79 12.715,80 0.825,81 1.046,82 28.502,83 8.032,84 94.224,85 10.673,86 0.69,87 0.857,88 22.267,89 6.635,90 92.223,91 9.501,92 0.427,93 0.696,94 17.294,95 5.407,96 53.764,97 7.499,98 0.408,99 0.569,100 15.839,101 4.666,102 47.708,103 6.716,104 26,105 34,106 0.29,107 0.613,108 0.746,109 0.801,110 0.82,111 0.82,112 3.105,113 0.9,114 -2.37,115 -2.4,116 -2.36,119 38.5,120 1,124 1,125 4,135 1,137 1,138 2,139 1,140 3,151 1,163 2,165 1,166 3,171 4,172 4,175 3,176 4,181 1,183 2,187 5,190 2,191 1,192 3,194 2,198 3,201 1,203 1,208 2,209 3,212 2,214 1,224 1,231 2,234 1,252 493,253 13.723,254 13.723,255 13.723,256 13.723,257 13.723,258 12.528,259 20.822,260 7.795,261 14.11,262 11.312,263 11.312,264 11.312,265 11.312,266 11.312,267 9.428,268 29.795,269 3.686,270 11.941,271 3.684,272 1.899,273 1.167,274 0.859,275 0.757,276 0.757,277 3.777,281 1,282 1,283 1,284 367,285 2.121,288 154.921,292 83.463,295 1.265,296 29.681,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 47,308 172,309 4.651,310 3.81,311 6.993,312 4.277,313 3.308,314 4.295,315 1.674,316 11.82,317 3.204,318 4.134,319 3.173,320 6.382,321 3.781,322 2.827,323 3.591,324 0.8,325 9.646,326 2.694,327 3.527,328 2.991,329 5.295,330 3.342,331 2.407,332 2.787,333 0.8,334 6.495,335 2.242,336 3.484,337 2.641,338 5.245,339 3.136,340 2.178,341 2.627,343 6.454,344 2.073,345 3.306,346 2.423,347 5.026,348 2.976,349 2.06,350 2.426,352 5.901,353 1.875,354 3.057,355 2.281,356 4.787,357 2.668,358 1.706,359 2.144,361 5,362 1.622,363 2.812,364 2.006,365 4.654,366 2.546,367 1.602,368 1.81,370 4.441,371 1.501,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.567,382 1,383 3.343,384 1.265,385 0.295,386 0.331,388 0.775,389 0.282,390 1.192,391 0.551,392 3.055,393 0.918,394 -0.035,395 -0.041,397 -0.094,398 -0.033,399 1.058,400 0.228,401 2.664,402 0.706,403 -0.239,404 -0.282,406 -0.613,407 -0.223,408 0.712,409 -0.069,410 2.389,411 0.507,412 -0.464,413 -0.529,415 -1.102,416 -0.438,417 0.642,418 -0.105,419 2.087,420 0.323,421 -0.589,422 -0.694,424 -1.36,425 -0.528,426 0.191,427 -0.412,428 2,429 -0.1,430 -1,431 -1,433 -2.907,434 -0.9,436 -0.6,437 1.678,438 -0.151,439 -1.097,440 -1.333,442 -3,443 -1.038,444 9.633,445 0.459,446 0.703,447 0.033,448 24.75,449 1.179,450 10.5,451 0.5,452 14.25,453 0.679,454 17.415,455 0.829,456 23.967,457 0.615,458 18.585,459 0.885,460 5.024,461 0.239,462 4.946,463 0.236,464 0.208,466 0.446,472 0.906,473 1.496,474 0.803,475 1.193,476 0.804,477 1.008,478 0.79,479 1.003,480 0.747,481 0.834,482 0.462,483 0.753,484 0.874,485 1.038,486 0.964,487 1.093,488 0.784,489 1.048,490 0.58,491 1.187,492 0.793,493 1.217,494 0.572,495 1.081,496 1.614,497 0.919,498 1.264,499 0.921,500 1.632,501 1.006,502 0.856,503 0.928,504 0.943,505 0.949,506 0.887,507 0.968,508 1.142,509 1.03,510 1.22,511 1.092,512 1.361,513 1.168,514 1.105,515 1.002,516 1.221,517 1.059,518 1.199,519 1.165,520 5,521 0.041,522 2.667,523 2.563,524 1.862,525 1.014,526 0.544,527 0.177,528 0.197,529 0.04,530 3779,531 10708,532 2.018,533 46.2,534 3,535 13,538 2,542 1.637,543 1.826,544 2.97,545 0.378,546 1,547 1,548 1,550 62.469,551 1.602,552 3.386,553 4.118,554 4.426,555 4.529,556 4.529,557 2.489,558 3.975,559 4.363,560 3.075,561 645.74,562 7.503,563 6497.18,564 1,565 1,567 1,568 206.131,569 1.545,570 4.289,571 0.217,572 0.021,573 0.078,574 0.069,575 0.053,576 0.039,577 0.025,578 0.012,579 0.022,580 0.007,581 0.543,582 0.67,583 1,584 0.702,585 92.238,586 -0.111,587 -0.249,588 0.03,589 -0.057,590 -0.104,591 0.003,592 0.007,593 0.185,594 0.155,595 0.176,596 0.122,597 0.216,598 -0.022,599 0.091,600 -0.064,601 -0.052,602 -0.041,603 -0.063,604 0.249,605 -0.202,606 0.144,607 -0.191,608 0.233,609 -0.067,610 -0.294,611 -0.019,612 -0.224,613 0.009,614 -0.277,615 -0.081,616 0.168,617 -0.009,618 0.061,619 -0.004,620 0.223,621 -0.001,622 -0.146,623 -0.086,624 -0.241,625 -0.125,626 -0.199,627 -0.198,628 -0.114,629 -0.135,630 -0.213,631 -0.125,632 -0.18,633 -0.192,634 2.102,635 5.272,636 0.762,637 13.642,638 1.015,639 1.132,640 1.141,641 1.302,642 0.639,643 3.178,644 3.555,645 3.85,646 4.174,647 4.394,648 4.522,649 4.533,650 4.644,651 4.615,652 4.543,653 4.686,654 0.618,655 290.35,656 3.178,657 4.745,658 5.617,659 6.529,660 7.419,661 8.338,662 9.234,663 10.156,664 11.057,665 11.98,666 5.1,669 2,681 2,686 4,688 6,700 2,703 39,705 8,706 1,707 23,709 41,710 15,711 6,712 4,713 2,714 3,717 3,718 4,721 1,729 9,730 6,733 2,737 1,741 3,743 1,744 1,747 18,748 6,749 2,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 2,805 21,809 2,810 4,812 1,815 2,825 10.3,827 2,828 1,830 1,832 11.5,833 7.55,834 4.5,835 2.271,836 1.717,837 1.25,838 0.919,839 3.651,840 8.586,841 3.367,842 3.961,843 4.503,844 5.073,845 5.541,846 5.889,847 6.043,848 6.412,849 6.526,850 6.513,851 0.833,852 37,853 7.817,854 3.427,855 7.984,856 14.66,857 12.182,859 2.484,860 52.167,864 188.338,865 66.16,866 6.249,868 121.512,871 66.16,872 309.849,873 6.249,874 17.222,875 8.423,876 18.952,877 120.46,878 28.863,880 188.338,882 188.338,883 72.408,884 121.512,887 188.338,888 121.512,891 23.497,892 46.155,893 2.757,895 188.338,896 127.76,897 66.16,900 188.338,901 29.985,902 42.423,904 121.512,905 188.338,906 127.76,907 66.16,909 0.599,910 0.355,911 0.202,912 0.109,913 18,914 9,915 0.024,916 1,917 1,918 1.125,919 3.154,920 170.153,921 0.125,922 16,923 88.239,928 14.382,929 5.33,930 2.524,932 127.76,933 2.598,938 0.464,940 85.367,941 382.257,942 28,946 12.272,950 0.745,952 39.582,953 44.156,954 0.303,955 0.641,956 0.779,957 0.837,958 0.857,959 0.857,960 4.659,961 1,962 5.645,963 4.441,964 4.234,965 4.644,966 2.143,967 6.521,968 4.132,969 5.881,970 0.295,971 7.249,972 2.275,973 4.007,974 4.635,975 0.57,976 7.548,977 3.857,978 7.216,979 -0.035,980 8.951,981 0.775,982 5.889,983 6.813,984 2.87,985 10.696,986 5.703,987 8.58,988 -0.239,989 10.71,990 -0.094,991 6.415,992 7.567,993 0.479,994 12.549,995 6.196,996 9.977,997 -0.464,998 12.507,999 -0.613,1000 7.84,1001 9.309,1002 3.82,1003 15.25,1004 7.589,1005 11.398,1006 -0.589,1007 14.331,1008 -1.102,1009 8.721,1010 10.423,1011 0.346,1012 17.458,1013 8.445,1014 12.838,1015 -1,1016 16.177,1017 -1.36,1018 9.979,1019 11.995,1020 4.828,1021 20.002,1022 9.672,1023 3.308,1024 -1.097,1025 18.04,1026 -2.907,1027 11.026,1028 13.281,1029 0.237,1030 22.357,1031 10.694,1032 2.827,1033 11.82,1034 19.917,1035 -3,1036 12.226,1037 14.783,1038 5.851,1039 24.845,1040 11.865,1041 2.407,1042 9.646,1043 21.805,1044 4.295,1045 13.348,1046 16.152,1047 0.158,1048 27.261,1049 12.961,1050 2.178,1051 6.495,1052 23.702,1053 3.591,1054 14.532,1055 17.624,1056 6.88,1057 29.73,1058 14.115,1059 2.06,1060 6.454,1061 25.607,1062 2.787,1063 15.688,1064 19.034,1065 0.104,1066 32.173,1067 15.244,1068 1.706,1069 5.901,1070 27.517,1071 2.627,1072 16.869,1073 20.493,1074 7.91,1075 34.637,1076 16.396,1077 1.602,1078 5,1079 29.432,1080 2.426,1081 18.042,1082 21.924,1083 0.068,1084 37.092,1085 17.54,1086 3764,1087 6467,1088 14.74,1089 24.921,1090 35.163,1091 36.286,1092 37.26,1093 34.856,1094 34.766,1095 42.022,1096 6.549,1097 105.612,1098 32.919,1099 5.651,1100 5.81,1101 6.407,1102 5.368,1103 5.308,1104 7.295,1105 3.349,1106 19.407,1107 5.204,1108 12.096,1109 1.529,1110 1.578,1111 1.62,1112 1.515,1113 1.512,1114 1.827,1115 0.285,1116 4.592,1117 1.431,1118 4.023,1119 4.04,1120 3.992,1121 3.923,1122 7.433,1123 3.936,1124 3.803,1125 3.864,1126 3.703,1127 3.621,1128 6.493,1129 3.633,1130 3.522,1131 3.556,1132 3.449,1133 3.373,1134 6.446,1135 3.381,1136 3.166,1137 3.262,1138 3.06,1139 2.941,1140 4.702,1141 2.931,1142 3.136,1143 3.206,1144 2.943,1145 2.918,1146 4.386,1147 2.91,1148 3.111,1149 3.163,1150 2.866,1151 2.853,1152 4.086,1153 2.872,1154 2.93,1155 2.959,1156 2.786,1157 2.676,1158 3.954,1159 2.687,1160 2.755,1161 2.788,1162 2.668,1163 2.56,1164 3.767,1165 2.581,1166 0.202,1167 0.166,1168 0.304,1169 0.186,1170 0.144,1171 4.651,1172 0.187,1173 3.81,1174 0.073,1175 6.993,1176 0.514,1177 4.277,1178 0.139,1179 3.308,1180 4.295,1181 1.674,1182 11.82,1183 3.204,1184 1.95,1185 1.94,1186 2.034,1187 2.081,1188 1.306,1189 2.066,1190 1.756,1191 1.692,1192 1.94,1193 1.959,1194 1.131,1195 1.956,1196 1.479,1197 1.441,1198 1.679,1199 1.66,1200 0.825,1201 1.661,1202 1.154,1203 1.064,1204 1.538,1205 1.438,1206 0.778,1207 1.478,1208 1.153,1209 1.052,1210 1.513,1211 1.376,1212 0.635,1213 1.429,1214 1.017,1215 0.986,1216 1.24,1217 1.342,1218 0.32,1219 1.304,1220 0.838,1221 0.796,1222 1.076,1223 1.155,1224 0.149,1225 1.116,1226 0.669,1227 0.643,1228 0.996,1229 0.967,1230 0.087,1231 0.981,1232 3.85,1233 5.209,1235 6.774,1237 8.442,1239 10.165,1241 3.839,1246 19.542,1247 3.232,1249 5.285,1252 4.191,1257 24.116,1258 62.469,1259 132.073,1260 160.621,1261 172.621,1262 176.621,1263 176.621,1264 42.202,1265 6.869,1266 77.15,1267 77.15,1268 18,1269 12.491,1270 3.17,1271 2.585,1272 31.992,1273 59,1274 65,1275 0.282,1276 147.412,1277 264.04,1278 351.445,1279 7359,1281 15.146,1282 0.721,1283 0.576,1284 15.146,1285 12.088,1286 9.969,1287 0.433,1288 0.3,1289 6.763,1290 9.437,1291 6.56,1292 5.413,1293 9.969,1294 6.9,1295 9.561,1296 0.281,1297 0.162,1298 9.561,1299 5.491,1300 7.831,1301 0.17,1302 0.087,1303 7.831,1304 4.012,1305 7.202,1306 0.113,1307 0.045,1308 7.202,1309 2.86,1310 5.283,1311 0.066,1312 0.024,1313 5.283,1314 1.917,1315 0.42,1316 63.636,1317 0.26,1318 20.196,1319 0.843,1320 114,1321 367.061,1322 128.902,1323 345.137,1324 463.3,1325 320,1326 137,1327 338.547,1328 152.462,1329 339.321,1330 501.42,1331 317,1332 7.674}
{0 CHEMBL598339,1 1.524,2 8.714,3 2.058,4 4.236,5 82.038,6 7.034,7 0.261,8 3.816,9 3.931,10 3.344,11 3.282,12 4.858,13 3.273,14 4.394,15 4.59,16 3.706,17 3.668,18 5.401,19 3.65,20 4.578,21 4.76,22 3.818,23 3.883,24 5.56,25 3.828,26 4.735,27 4.951,28 3.762,29 3.918,30 5.704,31 3.82,32 4.781,33 5.022,34 3.595,35 3.782,36 5.776,37 3.686,38 4.534,39 4.766,40 3.399,41 3.571,42 5.572,43 3.468,44 4.295,45 4.54,46 3.118,47 3.42,48 5.199,49 3.282,50 4.192,51 4.437,52 2.722,53 3.189,54 5.106,55 3.015,56 0.013,57 0.583,58 9.207,59 3.79,60 5.405,61 5.108,62 0.334,63 0.936,64 18.422,65 5.707,66 25.771,67 8.208,68 0.314,69 1.126,70 21.587,71 7.923,72 18.199,73 10.879,74 0.278,75 1.209,76 25.867,77 9.578,78 29.138,79 13.429,80 0.492,81 1.123,82 28.994,83 8.837,84 58.054,85 12.371,86 0.557,87 0.893,88 22.559,89 6.978,90 52.384,91 9.821,92 0.232,93 0.753,94 17.022,95 5.961,96 23.609,97 8.591,98 0.245,99 0.631,100 15.773,101 5.082,102 34.311,103 7.276,104 18,105 33,106 0.273,107 0.571,108 0.754,109 0.81,110 0.81,111 0.81,112 3.104,113 0.932,114 -3.12,115 -3.12,116 -3,119 39,120 1,124 2,125 4,135 1,137 1,138 3,139 1,140 2,151 1,163 4,165 1,166 5,172 5,175 3,176 6,183 4,186 1,187 7,194 2,198 5,208 3,209 4,220 1,221 1,231 2,252 502,253 14.093,254 14.093,255 14.093,256 14.093,257 14.093,258 13.003,259 20.822,260 8.078,261 14.586,262 11.25,263 11.25,264 11.25,265 11.25,266 11.25,267 9.453,268 28.488,269 3.739,270 11.925,271 3.834,272 2.171,273 1.147,274 0.836,275 0.836,276 0.836,277 3.781,281 1,282 1,283 1,284 391,285 2.236,288 157.5,292 84.597,295 1.537,296 19.098,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 46,308 183,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.489,317 3.157,318 4.062,319 3.05,320 6.193,321 3.707,322 2.755,323 3.534,324 0.86,325 9.101,326 2.622,327 3.565,328 2.994,329 5.363,330 3.348,331 2.414,332 2.8,333 0.8,334 6.805,335 2.247,336 3.433,337 2.705,338 5.196,339 3.155,340 2.203,341 2.517,342 0.8,343 6.306,344 2.089,345 3.295,346 2.549,347 5.05,348 2.944,349 2.013,350 2.399,352 5.82,353 1.848,354 2.868,355 2.143,356 4.792,357 2.632,358 1.693,359 1.892,361 4.999,362 1.578,363 2.609,364 1.431,365 3.91,366 2.122,367 1.127,368 1.595,370 2.851,371 1.116,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.695,382 1.052,383 3.27,384 1.395,385 0.512,386 0.573,388 0.906,389 0.445,390 1.359,391 0.821,392 2.876,393 1.153,394 0.198,395 0.21,397 0.43,398 0.188,399 1.18,400 0.538,401 2.718,402 0.837,403 -0.119,404 -0.148,406 -0.296,407 -0.112,408 0.731,409 -0.075,410 2.314,411 0.543,412 -0.414,413 -0.449,415 -0.963,416 -0.392,417 0.642,418 -0.164,419 2.162,420 0.305,421 -0.665,422 -0.826,424 -1.476,425 -0.633,426 0.471,427 -0.493,428 2,429 -0.003,430 -1,431 -1,433 -2.885,434 -0.9,436 -0.6,437 1.694,438 -0.1,439 -1,440 -1.333,442 -3,443 -0.988,444 9.8,445 0.467,446 0.575,447 0.027,448 24.25,449 1.155,450 10,451 0.476,452 14.25,453 0.679,454 17.64,455 0.84,456 23.8,457 0.58,458 17.313,459 0.824,460 5.012,461 0.239,462 5.085,463 0.242,464 0.187,466 0.388,472 0.8,473 1.601,474 0.804,475 1.321,476 0.584,477 1.099,478 1.077,479 0.889,480 0.838,481 0.724,482 0.542,483 0.707,484 0.877,485 1.006,486 0.984,487 1.057,488 0.685,489 1.034,490 0.724,491 1.215,492 0.944,493 1.247,494 0.801,495 1.154,496 1.478,497 0.928,498 1.094,499 0.926,500 1.92,501 0.944,502 1.237,503 0.904,504 1.098,505 0.921,506 1.564,507 0.986,508 0.78,509 1.065,510 1.047,511 1.124,512 0.819,513 1.135,514 1.253,515 1.209,516 1.338,517 1.238,518 1.845,519 1.307,520 4.5,521 0.049,522 2.667,523 2,524 1.751,525 0.847,526 0.564,527 0.189,528 0.151,529 0.04,530 3947,531 9672,532 2.045,533 48.8,534 3,535 17,542 1.635,543 1.881,544 3.072,545 -0.75,546 1,547 1,548 1,550 62.466,551 1.524,552 3.187,553 4.211,554 4.522,555 4.522,556 4.522,557 2.72,558 3.916,559 4.359,560 3.175,561 666.736,562 7.486,563 6752.05,564 1,565 1,567 1,568 219.66,569 1.51,570 4.305,571 0.196,572 0.012,573 0.081,574 0.056,575 0.055,576 0.033,577 0.027,578 0.012,579 0.017,580 0.006,581 0.493,582 0.83,583 1,584 0.874,585 93.039,586 -0.009,587 -0.357,588 0.084,589 -0.182,590 -0.014,591 -0.057,592 -0.021,593 0.254,594 0.142,595 0.252,596 0.138,597 0.245,598 0.022,599 0.128,600 -0.048,601 -0.015,602 0.03,603 -0.039,604 0.094,605 -0.212,606 -0.009,607 -0.213,608 0.077,609 -0.139,610 -0.199,611 -0.025,612 -0.068,613 0.013,614 -0.215,615 -0.002,616 0.031,617 0.022,618 -0.078,619 0.026,620 -0.032,621 -0.042,622 0.007,623 -0.092,624 -0.103,625 -0.129,626 0.019,627 -0.137,628 -0.201,629 -0.299,630 -0.354,631 -0.28,632 -0.331,633 -0.344,634 1.933,635 5.372,636 0.762,637 15.034,638 1.003,639 1.131,640 1.894,641 3.589,642 0.64,643 3.178,644 3.526,645 3.829,646 4.111,647 4.369,648 4.466,649 4.554,650 4.615,651 4.644,652 4.5,653 4.933,654 0.608,655 288.38,656 3.178,657 4.727,658 5.595,659 6.491,660 7.377,661 8.281,662 9.175,663 10.082,664 10.98,665 11.889,666 4.9,669 2,681 3,686 3,688 6,701 1,703 41,705 8,706 1,707 23,709 43,710 16,711 6,712 3,713 3,714 3,717 3,718 4,721 1,729 9,730 7,733 2,737 1,741 3,743 1,744 1,747 20,748 5,750 5,755 2,760 0.667,761 3,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 3,805 21,810 4,812 2,815 2,825 7.3,828 1,830 2,832 11.167,833 8.4,834 4.639,835 2.428,836 1.7,837 1.248,838 0.959,839 3.913,840 8.567,841 3.367,842 3.922,843 4.469,844 5,845 5.503,846 5.808,847 6.087,848 6.381,849 6.565,850 6.398,851 1,852 36,853 7.787,854 3.27,855 7.69,856 15.017,857 12.242,859 2.19,860 46,861 0.001,864 235.422,865 91.762,866 6.249,868 47.145,871 91.762,872 282.567,873 6.249,874 28.105,875 8.423,876 28.429,877 35.093,878 45.106,880 235.422,882 235.422,883 98.011,884 47.145,887 235.422,888 47.145,891 23.497,892 71.758,893 2.757,895 235.422,896 53.393,897 91.762,900 235.422,901 35.229,902 62.782,904 47.145,905 235.422,906 53.393,907 91.762,909 0.588,910 0.355,911 0.193,912 0.109,913 17,914 8,915 0.047,916 2,917 1,918 1.125,919 3.222,920 166.959,921 0.125,922 16,923 88.239,928 14.419,929 5.698,930 2.655,932 53.393,933 5.604,938 2.233,941 380.578,942 28,946 12.372,950 1.409,952 41.138,953 46.362,954 0.284,955 0.595,956 0.786,957 0.844,958 0.844,959 0.844,960 4.64,961 1,962 5.602,963 2.851,964 4.205,965 4.605,966 2.303,967 6.454,968 4.101,969 5.838,970 0.512,971 7.191,972 2.275,973 3.892,974 4.494,975 0.57,976 7.445,977 3.75,978 7.158,979 0.198,980 8.878,981 0.906,982 5.838,983 6.736,984 2.93,985 10.57,986 5.647,987 8.511,988 -0.119,989 10.624,990 0.43,991 6.312,992 7.42,993 0.479,994 12.385,995 6.094,996 9.897,997 -0.414,998 12.407,999 -0.296,1000 7.761,1001 9.19,1002 3.838,1003 15.06,1004 7.504,1005 11.307,1006 -0.665,1007 14.217,1008 -0.963,1009 8.603,1010 10.244,1011 0.346,1012 17.229,1013 8.324,1014 12.736,1015 -1,1016 16.049,1017 -1.476,1018 9.865,1019 11.825,1020 4.832,1021 19.749,1022 9.552,1023 3.26,1024 -1,1025 17.897,1026 -2.885,1027 10.883,1028 13.061,1029 0.237,1030 22.07,1031 10.548,1032 2.755,1033 11.489,1034 19.758,1035 -3,1036 12.076,1037 14.556,1038 5.852,1039 24.535,1040 11.711,1041 2.414,1042 9.101,1043 21.631,1044 4.189,1045 13.177,1046 15.884,1047 0.158,1048 26.922,1049 12.786,1050 2.203,1051 6.805,1052 23.513,1053 3.534,1054 14.349,1055 17.341,1056 6.88,1057 29.367,1058 13.93,1059 2.013,1060 6.306,1061 25.402,1062 2.8,1063 15.488,1064 18.716,1065 0.104,1066 31.782,1067 15.042,1068 1.693,1069 5.82,1070 27.298,1071 2.517,1072 16.657,1073 20.156,1074 7.91,1075 34.222,1076 16.181,1077 1.127,1078 4.999,1079 29.199,1080 2.399,1081 17.814,1082 21.556,1083 0.068,1084 36.649,1085 17.31,1086 3917,1087 6256,1088 15.027,1089 26.228,1090 34.617,1091 35.928,1092 36.544,1093 34.345,1094 34.351,1095 41.417,1096 8.269,1097 101.963,1098 32.51,1099 5.597,1100 5.802,1101 6.449,1102 5.321,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.03,1109 1.505,1110 1.562,1111 1.589,1112 1.493,1113 1.494,1114 1.801,1115 0.36,1116 4.433,1117 1.413,1118 4.022,1119 4.043,1120 3.984,1121 3.927,1122 7.433,1123 3.937,1124 3.804,1125 3.866,1126 3.701,1127 3.623,1128 4.909,1129 3.634,1130 3.538,1131 3.572,1132 3.46,1133 3.381,1134 4.548,1135 3.39,1136 3.211,1137 3.293,1138 3.054,1139 2.942,1140 4.374,1141 2.952,1142 3.148,1143 3.239,1144 3.008,1145 2.941,1146 4.086,1147 2.91,1148 3.122,1149 3.206,1150 2.89,1151 2.891,1152 4.053,1153 2.896,1154 3.111,1155 3.156,1156 2.866,1157 2.851,1158 3.768,1159 2.86,1160 2.804,1161 2.873,1162 2.652,1163 2.649,1164 3.474,1165 2.638,1166 0.2,1167 0.165,1168 0.3,1169 0.184,1170 0.142,1171 4.597,1172 0.182,1173 3.802,1174 0.073,1175 6.902,1176 0.5,1177 4.229,1178 0.137,1179 3.26,1180 4.189,1181 1.674,1182 11.489,1183 3.157,1184 1.958,1185 1.944,1186 2.047,1187 2.083,1188 1.307,1189 2.071,1190 1.759,1191 1.694,1192 1.954,1193 1.962,1194 1.145,1195 1.963,1196 1.49,1197 1.452,1198 1.7,1199 1.685,1200 0.825,1201 1.684,1202 1.175,1203 1.089,1204 1.552,1205 1.476,1206 0.799,1207 1.503,1208 1.153,1209 1.064,1210 1.535,1211 1.424,1212 0.636,1213 1.468,1214 1.141,1215 1.041,1216 1.513,1217 1.376,1218 0.566,1219 1.429,1220 1.017,1221 0.982,1222 1.239,1223 1.329,1224 0.321,1225 1.296,1226 0.818,1227 0.751,1228 1.108,1229 1.019,1230 0.177,1231 1.053,1232 3.85,1233 5.187,1235 6.739,1237 8.392,1239 10.098,1241 5.684,1247 3.618,1249 10.688,1252 4.393,1257 24.928,1258 62.466,1259 130.663,1260 172.64,1261 185.395,1262 185.395,1263 185.395,1264 30.911,1265 6.867,1266 45.92,1267 45.92,1268 18,1269 12.407,1270 3.17,1271 2.585,1272 32.086,1273 62,1274 67,1275 0.269,1276 153.008,1277 272.55,1278 365.1,1279 7434,1281 14.983,1282 0.713,1283 0.604,1284 14.983,1285 12.68,1286 10.097,1287 0.439,1288 0.311,1289 7,1290 9.546,1291 6.735,1292 5.602,1293 10.097,1294 7.149,1295 9.181,1296 0.278,1297 0.167,1298 9.181,1299 5.516,1300 7.946,1301 0.177,1302 0.093,1303 7.946,1304 4.163,1305 6.722,1306 0.112,1307 0.047,1308 6.722,1309 2.849,1310 5.4,1311 0.069,1312 0.025,1313 5.4,1314 1.989,1315 0.405,1316 64.36,1317 0.258,1318 20.408,1319 0.786,1320 112,1321 342.497,1322 125.573,1323 318.802,1324 435.69,1325 300,1326 134,1327 320.032,1328 148.465,1329 322.504,1330 474.98,1331 300,1332 5.283}
{0 CHEMBL599995,1 1.874,2 14.676,3 4.492,4 20.175,5 114.16,6 8.879,7 0.324,8 4.141,9 4.229,10 3.817,11 3.574,12 5.412,13 3.632,14 4.694,15 4.826,16 4.302,17 3.964,18 6.406,19 4.011,20 4.899,21 5.055,22 4.286,23 4.153,24 6.118,25 4.165,26 5.035,27 5.202,28 4.351,29 4.171,30 6.423,31 4.184,32 5.124,33 5.309,34 4.204,35 4.102,36 6.485,37 4.108,38 4.967,39 5.186,40 4.022,41 3.99,42 6.271,43 3.953,44 4.808,45 5.02,46 3.875,47 3.896,48 6.014,49 3.827,50 4.767,51 5.005,52 3.831,53 3.735,54 6.052,55 3.693,56 0.416,57 0.975,58 7.971,59 4.877,60 56.067,61 4.837,62 1.545,63 1.779,64 18.799,65 7.739,66 181.344,67 8.593,68 1.11,69 1.643,70 23.342,71 9.937,72 119.746,73 11.377,74 1.454,75 1.825,76 28.699,77 11.429,78 165.675,79 13.467,80 2.112,81 1.851,82 37.532,83 11.743,84 269.2,85 12.495,86 1.673,87 1.554,88 33.651,89 10.631,90 229.241,91 13.307,92 1.253,93 1.307,94 26.472,95 9.224,96 143.536,97 12.383,98 1.31,99 1.217,100 28.683,101 8.657,102 174.546,103 11.932,104 67,105 55,106 0.31,107 0.652,108 0.747,109 0.8,110 0.837,111 0.837,112 3.56,113 0.825,114 -2.57,115 -2.6,116 -2.53,119 40.7,120 1,125 4,132 1,135 1,137 1,138 6,139 1,140 5,151 1,152 1,163 4,165 2,166 5,169 2,171 6,172 6,175 3,176 6,181 3,183 4,187 9,190 2,191 1,192 3,194 2,197 1,198 7,201 3,203 1,208 2,209 3,212 2,214 1,220 2,221 3,224 1,226 1,230 2,231 6,234 3,236 2,249 2,252 1980,253 21.911,254 21.911,255 21.911,256 21.911,257 21.911,258 19.862,259 31.841,260 12.428,261 22.773,262 18.244,263 18.244,264 18.244,265 18.244,266 18.244,267 15.042,268 43.749,269 5.913,270 19.778,271 3.881,272 1.812,273 1.241,274 0.917,275 0.695,276 0.695,277 4.247,282 1,283 1,284 1067,285 4.062,288 445.518,292 175.333,295 2.303,296 67.967,299 1,300 0.67,301 1,302 1,303 0.5,304 1,305 1,306 0.88,307 80,308 499,309 4.651,310 4.437,311 6.993,312 4.278,313 3.308,314 4.295,315 4.032,316 11.821,317 3.204,318 4.209,319 3.811,320 6.455,321 3.903,322 3.139,323 3.673,324 1.701,325 10.195,326 2.733,327 4.14,328 3.687,329 6.384,330 3.83,331 2.886,332 3.591,333 1.674,334 9.656,335 2.65,336 4.031,337 3.173,338 6.05,339 3.711,340 2.755,341 3.189,342 0.8,343 8.686,344 2.499,345 3.826,346 2.942,347 5.431,348 3.469,349 2.521,350 3.02,351 0.563,352 7.193,353 2.259,354 3.509,355 2.769,356 5.295,357 3.149,358 2.193,359 2.784,360 0.394,361 6.454,362 2.088,363 3.415,364 2.508,365 5.163,366 3.092,367 2.157,368 2.619,369 0.075,370 6.263,371 1.99,372 3.34,373 2.368,374 5.056,375 2.967,376 2.039,377 2.572,379 6.093,380 1.866,381 3.108,382 2.3,383 4.912,384 2.747,385 1.78,386 2.207,388 5.283,389 1.703,390 2.984,391 2.203,392 4.659,393 2.581,394 1.622,395 2.019,397 4.465,398 1.539,399 2.5,400 1.956,401 4.066,402 2.202,403 1.23,404 1.5,406 3.331,407 1.18,408 2.478,409 1.146,410 3.414,411 2,412 1,413 1.411,415 2.275,416 1,417 2,418 1,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 1.546,427 0.99,428 3.341,429 1.219,430 0.268,431 0.306,433 0.722,434 0.249,435 1.467,436 0.824,437 3.142,438 1.099,439 0.158,440 0.189,442 0.416,443 0.145,444 15.057,445 0.443,446 1.244,447 0.037,448 42.25,449 1.243,450 19,451 0.559,452 23.25,453 0.684,454 29.583,455 0.87,456 38.943,457 0.721,458 39.219,459 1.154,460 8.79,461 0.259,462 7.224,463 0.212,464 0.179,465 0.033,466 0.385,471 3,472 0.758,473 1.111,474 0.646,475 1.135,476 0.68,477 0.922,478 0.396,479 0.659,480 0.617,481 0.873,482 0.32,483 0.853,484 0.69,485 0.753,486 0.859,487 1.033,488 0.567,489 1.029,490 0.711,491 0.961,492 0.876,493 1.223,494 0.664,495 1.163,496 1.247,497 0.87,498 1.292,499 0.947,500 1.254,501 1.093,502 0.824,503 0.797,504 1.024,505 0.939,506 0.814,507 1.042,508 0.516,509 0.641,510 0.951,511 1.077,512 0.607,513 1.215,514 0.609,515 0.82,516 0.816,517 0.991,518 0.642,519 1.011,520 9.5,521 0.235,522 4,523 3.563,524 2.804,525 1.486,526 0.865,527 0.507,528 0.451,529 0.341,530 17839,531 73310,532 2.001,533 37,534 3,535 14,538 3,542 1.754,543 1.813,544 3.754,545 0.928,547 1,550 101.198,551 1.874,552 3.943,553 4.514,554 4.838,555 5.06,556 5.06,557 3.248,558 4.197,559 5.056,560 4.003,561 2245.7,562 8.834,563 35478.5,568 310.764,569 1.701,570 4.979,571 0.257,572 0.007,573 0.073,574 0.063,575 0.049,576 0.032,577 0.022,578 0.015,579 0.014,580 0.011,581 0.542,582 0.5,583 0.88,584 0.94,585 185.079,586 -0.112,587 -0.142,588 0.003,589 -0.055,590 -0.111,591 0.011,592 0.434,593 0.387,594 0.191,595 0.133,596 0.412,597 0.068,598 -0.059,599 0.001,600 -0.056,601 -0.046,602 -0.027,603 -0.042,604 0.016,605 -0.195,606 0.005,607 -0.239,608 0.049,609 -0.155,610 -0.263,611 -0.048,612 -0.282,613 -0.011,614 -0.235,615 -0.12,616 -0.019,617 -0.016,618 -0.007,619 0.018,621 0.016,622 0.129,623 0.02,624 -0.002,625 -0.112,626 0.022,627 -0.14,628 0.134,629 -0.111,630 0.235,631 -0.05,632 0.088,633 0.084,634 6.05,635 5.602,636 0.647,637 40.512,638 1.049,639 1.147,640 1.344,641 1.806,642 0.651,643 3.638,644 4.025,645 4.248,646 4.554,647 4.762,648 4.883,649 4.99,650 5.136,651 5.153,652 5.236,653 8.486,654 0.662,655 479.45,656 3.638,657 5.22,658 6.071,659 6.98,660 7.846,661 8.756,662 9.631,663 10.542,664 11.423,665 12.335,666 5.6,669 1,673 2,681 6,686 6,688 12,700 2,701 1,703 54,705 15,706 2,707 37,709 57,710 22,711 12,712 6,713 6,714 3,717 4,718 5,720 1,721 1,729 16,730 6,733 3,737 2,741 4,745 3,747 20,748 12,749 3,750 12,755 3,760 0.75,761 6,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 1,803 3,805 34,809 2,810 4,811 1,812 2,815 2,816 1,824 3,825 11.1,827 2,828 2,830 2,832 18.75,833 9.895,834 7.153,835 3.034,836 2.623,837 1.321,838 0.943,839 6.668,840 10.785,841 3.85,842 4.443,843 4.924,844 5.474,845 5.945,846 6.204,847 6.423,848 6.756,849 6.838,850 6.927,851 0.9,852 57,853 13.266,854 6.35,855 8.483,856 22.605,857 18.534,859 2.983,860 101.417,864 200.109,865 117.762,866 24.259,868 157.656,869 44.88,871 117.762,872 357.765,873 69.14,874 8.825,875 29.558,876 56.857,877 145.605,878 89.619,879 4.276,880 200.109,881 9.817,882 200.109,883 142.021,884 202.537,887 200.109,888 157.656,889 44.88,890 9.817,891 41.507,892 87.939,893 2.757,895 244.989,896 181.916,897 117.762,900 209.926,901 42.261,902 71.931,903 18.011,904 202.537,905 200.109,906 226.796,907 117.762,909 0.602,910 0.332,911 0.184,912 0.097,913 27,914 14,915 0.053,916 3,917 1,918 1.091,919 4.373,920 316.863,921 0.091,922 22,923 160.219,928 24.198,929 9.369,930 5.432,932 226.796,933 7.183,938 -0.18,940 103.377,941 544.666,942 46,946 25.159,950 -0.329,952 56.643,953 61.922,954 0.326,955 0.685,956 0.784,957 0.841,958 0.879,959 0.879,960 5.147,961 2.039,962 6.12,963 6.263,964 4.71,965 5.13,966 3.582,967 6.984,968 4.567,969 6.383,970 1.78,971 7.72,972 6.093,973 4.575,974 5.112,975 4.095,976 8.097,977 4.283,978 7.719,979 1.622,980 9.419,981 5.283,982 6.402,983 7.276,984 5.727,985 11.125,986 6.109,987 9.08,988 1.23,989 11.173,990 4.465,991 6.986,992 7.965,993 6.963,994 12.991,995 6.558,996 10.468,997 1,998 12.962,999 3.331,1000 8.377,1001 9.707,1002 8.39,1003 15.613,1004 7.938,1005 11.874,1006 1,1007 14.775,1008 2.275,1009 9.275,1010 10.735,1011 9.76,1012 17.797,1013 8.737,1014 13.296,1015 0.268,1016 16.607,1017 2.275,1018 10.511,1019 12.308,1020 11.158,1021 20.289,1022 9.948,1023 3.308,1024 0.158,1025 18.453,1026 0.722,1027 11.552,1028 13.519,1029 12.549,1030 22.614,1031 10.92,1032 3.139,1033 11.821,1034 20.311,1035 0.416,1036 12.732,1037 15.016,1038 13.944,1039 25.065,1040 12.072,1041 2.886,1042 10.195,1043 22.179,1044 4.295,1045 13.839,1046 16.329,1047 15.337,1048 27.454,1049 13.13,1050 2.755,1051 9.656,1052 24.056,1053 3.673,1054 15.003,1055 17.793,1056 16.732,1057 29.897,1058 14.266,1059 2.521,1060 8.686,1061 25.939,1062 3.591,1063 16.141,1064 19.165,1065 18.126,1066 32.318,1067 15.368,1068 2.193,1069 7.193,1070 27.829,1071 3.189,1072 17.303,1073 20.615,1074 19.52,1075 34.762,1076 16.505,1077 2.157,1078 6.454,1079 29.724,1080 3.02,1081 18.457,1082 22.021,1083 20.915,1084 37.201,1085 17.63,1086 17168,1087 35076,1088 23.581,1089 35.171,1090 57.11,1091 57.473,1092 58.525,1093 56.453,1094 56.113,1095 68.75,1096 18.481,1097 170.253,1098 52.142,1099 5.651,1100 6.437,1101 6.407,1102 5.371,1103 5.308,1104 7.295,1105 5.707,1106 19.408,1107 5.204,1108 22.638,1109 1.544,1110 1.553,1111 1.582,1112 1.526,1113 1.517,1114 1.858,1115 0.499,1116 4.601,1117 1.409,1118 4.031,1119 4.051,1120 3.997,1121 3.926,1122 8.516,1123 3.94,1124 3.923,1125 3.947,1126 3.876,1127 3.826,1128 7.999,1129 3.831,1130 3.796,1131 3.847,1132 3.714,1133 3.617,1134 7.999,1135 3.632,1136 3.537,1137 3.562,1138 3.505,1139 3.374,1140 7.434,1141 3.39,1142 3.425,1143 3.455,1144 3.435,1145 3.052,1146 7.428,1147 3.123,1148 3.246,1149 3.296,1150 3.181,1151 2.941,1152 6.493,1153 2.971,1154 3.156,1155 3.206,1156 3.056,1157 2.896,1158 6.446,1159 2.916,1160 3.111,1161 3.173,1162 2.866,1163 2.855,1164 4.815,1165 2.91,1166 0.126,1167 0.12,1168 0.189,1169 0.116,1170 0.089,1171 4.651,1172 0.116,1173 4.437,1174 0.109,1175 6.993,1176 0.319,1177 4.278,1178 0.087,1179 3.308,1180 4.295,1181 4.032,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.03,1187 2.084,1188 1.298,1189 2.067,1190 1.882,1191 1.857,1192 1.984,1193 2.009,1194 1.128,1195 1.998,1196 1.745,1197 1.687,1198 1.917,1199 1.936,1200 1.058,1201 1.932,1202 1.473,1203 1.44,1204 1.67,1205 1.662,1206 0.825,1207 1.651,1208 1.185,1209 1.145,1210 1.513,1211 1.562,1212 0.77,1213 1.47,1214 1.153,1215 1.064,1216 1.34,1217 1.424,1218 0.433,1219 1.429,1220 1.042,1221 1.012,1222 1.224,1223 1.376,1224 0.233,1225 1.351,1226 0.975,1227 0.956,1228 1.181,1229 1.346,1230 0.218,1231 1.286,1232 4.317,1233 5.687,1235 7.236,1237 8.873,1239 10.558,1241 1.663,1243 36.783,1246 19.838,1247 1.141,1248 2.611,1249 9.092,1252 3.254,1253 -4.8,1257 35.771,1258 101.198,1259 212.936,1260 243.744,1261 261.254,1262 273.254,1263 273.254,1264 99.697,1265 8.162,1266 115.48,1267 115.48,1268 24,1269 12.855,1270 4,1271 3.322,1272 57.397,1273 178,1274 164,1275 0.16,1276 213.837,1277 398.11,1278 513.522,1279 44198,1280 5.6,1281 24.621,1282 0.724,1283 0.525,1284 22.121,1285 17.848,1286 16.014,1287 0.433,1288 0.275,1289 9.913,1290 14.953,1291 9.796,1292 8,1293 14.867,1294 10.177,1295 16.08,1296 0.292,1297 0.14,1298 13.724,1299 7.678,1300 11.965,1301 0.173,1302 0.078,1303 11.641,1304 5.415,1305 10.885,1306 0.116,1307 0.042,1308 10.223,1309 3.906,1310 8.077,1311 0.07,1312 0.022,1313 7.583,1314 2.546,1315 0.259,1316 103.779,1317 0.206,1318 31.915,1319 0.418,1320 184,1321 841.198,1322 227.052,1323 709.824,1324 920.9,1325 654,1326 216,1327 649.766,1328 248.338,1329 627.027,1330 944.81,1331 586,1332 6.959}
{0 CHEMBL599996,1 1.605,2 13,3 2.379,4 5.658,5 111.42,6 7.726,7 0.364,8 4.089,9 4.193,10 3.672,11 3.581,12 5.259,13 3.589,14 4.617,15 4.776,16 4.055,17 3.98,18 5.794,19 3.969,20 4.894,21 5.072,22 4.168,23 4.158,24 6.003,25 4.125,26 5.01,27 5.201,28 4.173,29 4.146,30 6.25,31 4.107,32 5.046,33 5.245,34 4,35 4.072,36 6.221,37 4.019,38 4.938,39 5.183,40 3.897,41 3.966,42 6.122,43 3.886,44 4.759,45 4.981,46 3.728,47 3.871,48 5.84,49 3.79,50 4.695,51 4.922,52 3.678,53 3.788,54 5.895,55 3.686,56 0.126,57 0.764,58 10.437,59 4.745,60 16.885,61 5.782,62 0.449,63 1.242,64 19.915,65 7.61,66 32.421,67 9.967,68 0.529,69 1.533,70 27.769,71 10.362,72 50.272,73 13.484,74 0.812,75 1.61,76 32.933,77 11.164,78 101.898,79 14.784,80 1.046,81 1.548,82 36.662,83 11.176,84 127.281,85 14.04,86 0.898,87 1.412,88 33.978,89 10.534,90 121.522,91 14.833,92 0.598,93 1.228,94 26.979,95 8.897,96 77.692,97 11.979,98 0.675,99 1.144,100 25.265,101 8.693,102 89.5,103 12.22,104 26,105 47,106 0.267,107 0.612,108 0.728,109 0.796,110 0.842,111 0.842,112 3.44,113 0.886,114 -2.99,115 -2.99,116 -2.89,119 41.5,120 1,125 5,135 1,137 1,138 7,139 2,140 3,151 1,152 1,163 8,165 2,166 3,169 2,171 5,172 10,175 3,176 4,181 3,183 5,187 7,190 2,191 1,192 5,194 2,197 1,198 7,201 2,203 2,208 2,209 7,212 2,214 1,221 4,224 1,226 1,230 2,231 6,234 3,236 2,242 2,249 1,252 1480,253 20.068,254 20.068,255 20.068,256 20.068,257 20.068,258 17.992,259 26.877,260 11.694,261 20.49,262 16.256,263 16.256,264 16.256,265 16.256,266 16.256,267 13.056,268 37.348,269 5.541,270 16.928,271 4.123,272 2.041,273 1.343,274 0.934,275 0.656,276 0.656,277 4.134,282 1,283 1,284 847,285 3.162,288 374.744,292 144.309,295 2,296 42.291,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 66.5,308 390,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.704,316 11.821,317 3.204,318 4.139,319 3.679,320 6.384,321 3.82,322 2.872,323 3.592,324 1.674,325 9.655,326 2.719,327 3.971,328 3.173,329 6.02,330 3.681,331 2.722,332 3.45,333 0.8,334 8.542,335 2.603,336 3.856,337 2.941,338 5.339,339 3.487,340 2.496,341 3.092,342 0.636,343 6.958,344 2.468,345 3.508,346 2.728,347 5.295,348 3.148,349 2.189,350 2.783,351 0.445,352 6.454,353 2.089,354 3.399,355 2.502,356 5.159,357 3.077,358 2.144,359 2.606,361 6.193,362 1.983,363 3.127,364 2.316,365 4.921,366 2.785,367 1.823,368 2.223,370 5.324,371 1.737,372 3.005,373 2.224,374 4.659,375 2.594,376 1.632,377 2.104,379 4.47,380 1.555,381 2.915,382 1.959,383 4.185,384 2.514,385 1.539,386 2.019,388 3.756,389 1.499,390 2.519,391 1.645,392 3.608,393 2.268,394 1.302,395 1.5,397 3.035,398 1.245,399 2.5,400 1.146,401 3.414,402 2,403 1,404 1.477,406 2.275,407 1,408 2,409 1.061,410 3.344,411 1.967,412 1,413 1,415 2.136,416 0.965,417 1.755,418 1,419 3.247,420 1.461,421 0.482,422 0.567,424 1.114,425 0.467,426 1.539,427 0.987,428 3.058,429 1.172,430 0.193,431 0.229,433 0.525,434 0.185,435 1.178,436 0.535,437 2.923,438 0.904,439 -0.045,440 -0.053,442 -0.123,443 -0.043,444 13.867,445 0.462,446 0.822,447 0.027,448 38,449 1.267,450 18,451 0.6,452 20,453 0.667,454 25.377,455 0.846,456 32.933,457 0.621,458 31.139,459 1.038,460 7.81,461 0.26,462 6.625,463 0.221,464 0.132,466 0.382,472 0.862,473 1.357,474 0.773,475 1.086,476 0.727,477 0.936,478 0.668,479 1.034,480 0.798,481 0.947,482 0.485,483 0.891,484 0.887,485 1.1,486 0.942,487 1.083,488 0.823,489 1.028,490 0.952,491 1.187,492 1.005,493 1.157,494 0.99,495 1.094,496 1.584,497 0.983,498 1.304,499 0.984,500 1.582,501 1.073,502 0.862,503 0.896,504 0.896,505 0.872,506 0.847,507 0.887,508 1.081,509 0.997,510 1.101,511 0.988,512 1.196,513 1.037,514 0.598,515 1.111,516 0.957,517 1.124,518 0.709,519 1.131,520 6,521 0.169,522 3.556,523 2.875,524 2.093,525 1.368,526 0.687,527 0.361,528 0.303,529 0.224,530 12591,531 36442,532 2.067,533 43.4,534 3,535 17,538 3,542 1.724,543 1.915,544 3.596,545 0.9,546 1,547 1,550 85.066,551 1.605,552 3.687,553 4.385,554 4.794,555 5.072,556 5.072,557 3.083,558 4.507,559 4.874,560 3.797,561 1651.9,562 8.483,563 23201.1,565 1,567 1,568 303.58,569 1.475,570 4.828,571 0.182,572 0.008,573 0.076,574 0.056,575 0.044,576 0.035,577 0.019,578 0.012,579 0.011,580 0.01,581 0.452,582 0.5,583 1,584 0.594,585 155.511,586 -0.105,587 -0.16,588 0.024,589 -0.014,590 -0.088,591 0.024,592 0.109,593 0.131,594 0.071,595 0.055,596 0.103,597 0.06,598 -0.024,599 -0.025,600 -0.028,601 -0.083,602 -0.053,603 -0.059,604 0.065,605 -0.174,606 -0.036,607 -0.185,608 0.05,609 -0.136,610 -0.261,611 -0.036,612 -0.263,613 -0.046,614 -0.254,615 -0.144,616 0.109,617 0.032,618 0.137,619 0.078,620 0.158,621 0.108,622 -0.129,623 -0.024,624 -0.111,625 -0.019,626 -0.15,627 -0.054,628 0.25,629 -0.156,630 0.026,631 -0.141,632 0.172,633 -0.122,634 2.202,635 5.586,636 0.733,637 32.578,638 1.015,639 1.126,640 1.762,641 3.104,642 0.659,643 3.526,644 3.871,645 4.159,646 4.443,647 4.654,648 4.771,649 4.844,650 4.997,651 5.017,652 5.1,653 7.401,654 0.64,655 409.48,656 3.526,657 5.081,658 5.943,659 6.834,660 7.71,661 8.609,662 9.493,663 10.398,664 11.287,665 12.196,666 5.7,669 1,673 2,681 7,686 5,688 12,700 2,703 53,705 15,706 2,707 33,709 56,710 22,711 12,712 5,713 7,714 3,717 4,718 5,720 1,721 1,729 16,730 6,733 3,737 2,741 4,744 1,747 23,748 8,749 3,750 8,755 3,760 0.75,761 5,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 1,805 30,809 2,810 5,811 1,812 1,815 2,825 9.4,827 2,828 2,830 1,832 15.667,833 9.633,834 6.528,835 3.086,836 2.49,837 1.318,838 0.95,839 5.88,840 10.311,841 3.761,842 4.331,843 4.852,844 5.372,845 5.831,846 6.06,847 6.238,848 6.603,849 6.741,850 6.82,851 0.889,852 51,853 11.181,854 4.906,855 7.983,856 20.864,857 17.257,859 2.483,860 74.5,863 1,864 235.422,865 114.712,866 24.259,868 146.656,871 114.712,872 382.078,873 24.259,874 8.825,875 31.664,876 66.334,877 145.605,878 28.924,879 4.276,880 235.422,882 235.422,883 138.971,884 146.656,887 235.422,888 146.656,891 43.613,892 92.601,893 2.757,895 235.422,896 170.916,897 114.712,900 235.422,901 39.553,902 81.408,903 18.011,904 146.656,905 235.422,906 170.916,907 114.712,909 0.588,910 0.349,911 0.192,912 0.1,913 23,914 11,915 0.054,916 3,917 1,918 1.091,919 4.123,920 268.782,921 0.091,922 22,923 139.207,928 20.567,929 8.577,930 4.277,932 170.916,933 12.215,938 1.236,940 103.377,941 521.049,942 42,946 25.045,950 0.273,952 53.778,953 59.694,954 0.28,955 0.644,956 0.766,957 0.837,958 0.886,959 0.886,960 5.024,961 1.632,962 5.943,963 5.324,964 4.554,965 5.017,966 2.606,967 6.781,968 4.474,969 6.228,970 1.539,971 7.521,972 4.47,973 4.205,974 4.856,975 1.404,976 7.745,977 4.08,978 7.541,979 1.302,980 9.201,981 3.756,982 6.172,983 7.146,984 3.361,985 10.879,986 6.013,987 8.886,988 1,989 10.941,990 3.035,991 6.621,992 7.769,993 2.498,994 12.691,995 6.424,996 10.263,997 1,998 12.721,999 2.275,1000 8.083,1001 9.578,1002 4.309,1003 15.368,1004 7.853,1005 11.664,1006 0.482,1007 14.529,1008 2.136,1009 8.91,1010 10.582,1011 3.619,1012 17.545,1013 8.644,1014 13.084,1015 0.193,1016 16.36,1017 1.114,1018 10.177,1019 12.191,1020 5.313,1021 20.07,1022 9.88,1023 3.308,1024 -0.045,1025 18.207,1026 0.525,1027 11.186,1028 13.398,1029 4.729,1030 22.407,1031 10.855,1032 2.872,1033 11.821,1034 20.069,1035 -0.123,1036 12.381,1037 14.916,1038 6.337,1039 24.883,1040 12.019,1041 2.722,1042 9.655,1043 21.942,1044 4.295,1045 13.477,1046 16.233,1047 5.823,1048 27.289,1049 13.083,1050 2.496,1051 8.542,1052 23.825,1053 3.592,1054 14.65,1055 17.711,1056 7.371,1057 29.751,1058 14.227,1059 2.189,1060 6.958,1061 25.717,1062 3.45,1063 15.788,1064 19.089,1065 6.906,1066 32.188,1067 15.334,1068 2.144,1069 6.454,1070 27.615,1071 3.092,1072 16.959,1073 20.549,1074 8.41,1075 34.649,1076 16.475,1077 1.823,1078 6.193,1079 29.518,1080 2.783,1081 18.119,1082 21.961,1083 7.981,1084 37.101,1085 17.605,1086 11936,1087 20478,1088 21.789,1089 34.904,1090 50.133,1091 51.778,1092 51.642,1093 49.524,1094 49.406,1095 61.874,1096 10.52,1097 144.514,1098 47.44,1099 5.651,1100 5.811,1101 6.795,1102 5.37,1103 5.308,1104 7.295,1105 3.378,1106 19.408,1107 5.204,1108 15.838,1109 1.519,1110 1.569,1111 1.565,1112 1.501,1113 1.497,1114 1.875,1115 0.319,1116 4.379,1117 1.438,1118 4.03,1119 4.049,1120 3.996,1121 3.927,1122 7.434,1123 3.94,1124 3.917,1125 3.948,1126 3.845,1127 3.848,1128 7.428,1129 3.842,1130 3.806,1131 3.859,1132 3.722,1133 3.622,1134 6.493,1135 3.639,1136 3.548,1137 3.579,1138 3.499,1139 3.381,1140 6.446,1141 3.399,1142 3.375,1143 3.439,1144 3.262,1145 3.152,1146 4.759,1147 3.167,1148 3.157,1149 3.206,1150 3.058,1151 2.941,1152 4.698,1153 2.923,1154 3.111,1155 3.185,1156 2.908,1157 2.888,1158 4.333,1159 2.91,1160 3.026,1161 3.076,1162 2.866,1163 2.8,1164 4.08,1165 2.829,1166 0.141,1167 0.115,1168 0.212,1169 0.13,1170 0.1,1171 4.651,1172 0.13,1173 3.811,1174 0.052,1175 6.993,1176 0.358,1177 4.278,1178 0.097,1179 3.308,1180 4.295,1181 1.704,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.044,1187 2.083,1188 1.298,1189 2.067,1190 1.91,1191 1.88,1192 2.025,1193 2.009,1194 1.151,1195 2.017,1196 1.751,1197 1.692,1198 1.923,1199 1.947,1200 1.125,1201 1.943,1202 1.481,1203 1.447,1204 1.672,1205 1.68,1206 0.825,1207 1.664,1208 1.317,1209 1.248,1210 1.559,1211 1.57,1212 0.771,1213 1.575,1214 1.153,1215 1.064,1216 1.513,1217 1.376,1218 0.686,1219 1.429,1220 1.05,1221 1.012,1222 1.282,1223 1.36,1224 0.414,1225 1.336,1226 0.935,1227 0.897,1228 1.181,1229 1.22,1230 0.218,1231 1.196,1232 4.205,1233 5.541,1235 7.081,1237 8.718,1239 10.408,1241 1.74,1246 19.845,1247 2.307,1248 2.914,1249 5.34,1252 3.584,1257 33.906,1258 85.066,1259 195.416,1260 232.419,1261 254.07,1262 268.825,1263 268.825,1264 68.435,1265 7.821,1266 106.25,1267 106.25,1268 24,1269 12.716,1270 4,1271 3.322,1272 47.334,1273 133,1274 142,1275 0.174,1276 206.246,1277 371.11,1278 495,1279 28520,1281 21.25,1282 0.708,1283 0.553,1284 21.25,1285 16.591,1286 14.436,1287 0.437,1288 0.295,1289 9.585,1290 13.784,1291 9.385,1292 7.725,1293 14.436,1294 9.748,1295 13.274,1296 0.282,1297 0.156,1298 13.274,1299 7.32,1300 11.147,1301 0.177,1302 0.085,1303 11.147,1304 5.362,1305 9.84,1306 0.117,1307 0.046,1308 9.84,1309 3.848,1310 7.293,1311 0.07,1312 0.024,1313 7.293,1314 2.507,1315 0.277,1316 91.343,1317 0.214,1318 28.633,1319 0.463,1320 160,1321 513.129,1322 179.67,1323 486.511,1324 653.95,1325 452,1326 190,1327 475.93,1328 209.786,1329 476.65,1330 701.59,1331 448,1332 5.799}
{0 CHEMBL600016,1 1.519,2 12.75,3 1.885,4 3.551,5 109.132,6 6.799,7 0.194,8 4.144,9 4.264,10 3.644,11 3.579,12 5.108,13 3.569,14 4.76,15 4.96,16 3.992,17 3.977,18 5.698,19 3.952,20 4.985,21 5.196,22 4.064,23 4.191,24 5.873,25 4.114,26 5.074,27 5.311,28 3.995,29 4.216,30 5.935,31 4.093,32 5.123,33 5.381,34 3.883,35 4.083,36 6.031,37 3.977,38 4.877,39 5.111,40 3.781,41 3.921,42 5.863,43 3.829,44 4.68,45 4.901,46 3.646,47 3.89,48 5.559,49 3.774,50 4.714,51 4.944,52 3.531,53 3.827,54 5.596,55 3.693,56 0.01,57 0.818,58 13.561,59 5.209,60 5.305,61 7.336,62 0.453,63 1.314,64 27.359,65 7.852,66 32.428,67 11.846,68 0.626,69 1.582,70 34.223,71 11.298,72 33.047,73 16.247,74 0.324,75 1.634,76 36.889,77 13.378,78 33.296,79 19.333,80 0.669,81 1.498,82 40.99,83 12.007,84 65.872,85 17.534,86 0.808,87 1.239,88 31.956,89 9.487,90 64.44,91 13.762,92 0.331,93 1.152,94 24.809,95 8.985,96 27.461,97 12.878,98 0.249,99 1.119,100 25.909,101 9.004,102 35.382,103 13,104 10,105 43,106 0.252,107 0.502,108 0.695,109 0.797,110 0.813,111 0.813,112 3.374,113 0.973,114 -2.76,115 -2.77,116 -2.69,119 36.8,120 1,124 1,125 10,135 1,137 1,138 3,139 1,140 2,151 1,163 4,165 1,166 5,172 5,175 5,176 6,183 4,186 1,187 7,194 2,198 7,208 4,209 5,220 2,221 2,231 5,241 1,242 2,252 1230,253 19.068,254 19.068,255 19.068,256 19.068,257 19.068,258 17.978,259 29.006,260 11.326,261 19.797,262 15.305,263 15.305,264 15.305,265 15.305,266 15.305,267 13.531,268 39.271,269 5.409,270 16.419,271 4.314,272 2.809,273 1.646,274 1.035,275 0.939,276 0.939,277 4.073,282 1,283 1,284 779,285 2.739,288 334.575,292 125.271,295 2.25,296 25.952,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 61.5,308 357,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.065,319 3.064,320 6.193,321 3.71,322 2.759,323 3.535,324 0.86,325 9.105,326 2.624,327 3.588,328 2.995,329 5.39,330 3.441,331 2.528,332 2.811,333 0.86,334 7.011,335 2.306,336 3.505,337 2.897,338 5.33,339 3.346,340 2.414,341 2.519,342 0.8,343 6.866,344 2.244,345 3.433,346 2.72,347 5.196,348 3.163,349 2.215,350 2.513,351 0.8,352 6.312,353 2.093,354 3.297,355 2.565,356 5.063,357 2.948,358 2.015,359 2.399,360 0.8,361 5.852,362 1.852,363 2.869,364 2.178,365 4.794,366 2.64,367 1.705,368 1.892,370 5.017,371 1.585,372 2.626,373 2.136,374 3.91,375 2.425,376 1.542,377 1.624,379 3.235,380 1.354,381 2.547,382 1.556,383 3.681,384 2.132,385 1.162,386 1.538,388 2.86,389 1.122,390 2.117,391 1.336,392 3.414,393 1.967,394 1.01,395 1.094,397 2.316,398 0.965,399 2,400 1.256,401 3.374,402 1.952,403 1,404 1,406 2.275,407 0.946,408 2,409 1.146,410 3.247,411 1.926,412 1,413 1,415 2.136,416 0.913,417 1.481,418 0.841,419 3.215,420 1.227,421 0.26,422 0.282,424 0.66,425 0.248,426 1.185,427 0.551,428 2.825,429 0.964,430 0.034,431 0.038,433 0.084,434 0.032,435 1.096,436 0.382,437 2.661,438 0.798,439 -0.143,440 -0.172,442 -0.367,443 -0.133,444 13.033,445 0.465,446 0.644,447 0.023,448 29.5,449 1.054,450 10,451 0.357,452 19.5,453 0.696,454 27.144,455 0.969,456 32.567,457 0.571,458 22.388,459 0.8,460 6.008,461 0.215,462 7.606,463 0.272,464 0.102,466 0.322,472 0.834,473 1.715,474 0.838,475 1.407,476 0.605,477 1.16,478 1.252,479 1.009,480 0.98,481 0.847,482 0.656,483 0.834,484 1.012,485 0.902,486 1.059,487 0.973,488 0.751,489 1.011,490 0.642,491 1.219,492 0.917,493 1.27,494 0.74,495 1.165,496 1.427,497 0.889,498 1.01,499 0.874,500 1.829,501 0.877,502 1.269,503 0.856,504 1.047,505 0.845,506 1.533,507 0.907,508 0.786,509 1.089,510 1.048,511 1.151,512 0.869,513 1.153,514 0.966,515 1.295,516 1.129,517 1.321,518 1.422,519 1.275,520 5,521 0.136,522 2.889,523 2.063,524 1.742,525 0.965,526 0.644,527 0.299,528 0.266,529 0.157,530 10793,531 24346,532 2.115,533 50.9,534 3,535 26,542 1.706,543 2,544 3.592,545 -0.742,546 1,547 1,550 86.6,551 1.519,552 3.024,553 4.187,554 4.797,555 4.894,556 4.894,557 3.128,558 4.28,559 4.771,560 3.776,561 1427.26,562 8.276,563 19109.7,565 1,567 1,568 332.475,569 1.333,570 4.748,571 0.161,572 0.007,573 0.067,574 0.046,575 0.044,576 0.028,577 0.02,578 0.01,579 0.011,580 0.007,581 0.402,582 0.5,583 1,584 0.517,585 142.253,586 -0.005,587 -0.402,588 0.096,589 -0.204,590 0.003,591 -0.062,592 -0.102,593 0.154,594 0.035,595 0.145,596 0.086,597 0.131,598 -0.001,599 0.206,600 -0.077,601 0.055,602 0.012,603 -0.013,604 0.1,605 -0.213,606 0.016,607 -0.208,608 0.106,609 -0.123,610 -0.162,611 -0.006,612 0.017,613 0.065,614 -0.171,615 0.07,616 0.045,617 0.092,618 -0.015,619 0.117,620 -0.007,621 0.046,622 0.013,623 -0.026,624 -0.108,625 -0.08,626 -0.046,627 -0.114,628 -0.079,629 -0.296,630 -0.176,631 -0.274,632 -0.18,633 -0.251,634 1.931,635 5.685,636 0.786,637 32.352,638 1.002,639 1.136,640 1.527,641 2.331,642 0.627,643 3.466,644 3.784,645 4.06,646 4.331,647 4.575,648 4.644,649 4.762,650 4.89,651 4.984,652 5.03,653 7.214,654 0.592,655 387.53,656 3.466,657 5.004,658 5.855,659 6.732,660 7.6,661 8.487,662 9.364,663 10.257,664 11.141,665 12.038,666 5.3,669 3,681 3,686 3,688 6,701 1,703 57,705 8,706 1,707 31,709 60,710 21,711 6,712 3,713 3,714 3,717 4,718 5,721 1,729 9,730 12,733 2,737 1,741 3,744 1,747 29,748 7,750 7,755 3,760 0.75,761 4,776 4,780 1,786 1,788 1,789 1,792 3,795 1,796 3,801 2,805 28,810 10,812 3,815 3,825 7,828 1,829 1,830 2,832 14,833 10.767,834 6.139,835 3.561,836 1.664,837 1.217,838 0.962,839 6.211,840 9.331,841 3.611,842 4.103,843 4.598,844 5.102,845 5.587,846 5.887,847 6.193,848 6.542,849 6.768,850 6.804,851 0.889,852 45,853 10.438,854 4.402,855 7.589,856 20.451,857 16.905,859 2.089,860 58.5,864 341.362,865 100.973,866 9.373,868 58.145,871 100.973,872 399.507,873 9.373,874 17.222,875 28.517,876 28.429,877 46.093,878 48.231,880 341.362,882 341.362,883 110.346,884 58.145,887 341.362,888 47.145,889 11,891 46.715,892 60.874,893 2.757,895 341.362,896 67.518,897 100.973,900 341.362,901 55.323,902 55.023,904 58.145,905 341.362,906 67.518,907 100.973,909 0.58,910 0.339,911 0.185,912 0.102,913 21,914 9,915 0.083,916 5,917 1,918 1.091,919 4.062,920 241.168,921 0.091,922 22,923 126.606,928 19.707,929 8.825,930 4.54,932 67.518,933 5.788,938 2.286,941 509.853,942 36,946 12.685,950 1.414,952 57.101,953 64.73,954 0.26,955 0.518,956 0.718,957 0.822,958 0.839,959 0.839,960 4.879,961 1.542,962 5.832,963 5.017,964 4.466,965 4.787,966 2.521,967 6.637,968 4.34,969 6.034,970 1.162,971 7.385,972 3.235,973 4.007,974 4.559,975 0.766,976 7.535,977 3.848,978 7.324,979 1.01,980 9.04,981 2.86,982 6.047,983 6.827,984 3.01,985 10.665,986 5.821,987 8.647,988 1,989 10.758,990 2.316,991 6.415,992 7.455,993 0.653,994 12.438,995 6.175,996 10.01,997 1,998 12.519,999 2.275,1000 7.918,1001 9.231,1002 3.861,1003 15.104,1004 7.619,1005 11.4,1006 0.26,1007 14.31,1008 2.136,1009 8.689,1010 10.262,1011 0.482,1012 17.254,1013 8.384,1014 12.813,1015 0.034,1016 16.126,1017 0.66,1018 9.973,1019 11.842,1020 4.838,1021 19.768,1022 9.622,1023 3.26,1024 -0.143,1025 17.961,1026 0.084,1027 10.948,1028 13.069,1029 0.337,1030 22.082,1031 10.588,1032 2.759,1033 11.49,1034 19.811,1035 -0.367,1036 12.148,1037 14.564,1038 5.854,1039 24.543,1040 11.751,1041 2.528,1042 9.105,1043 21.674,1044 4.189,1045 13.224,1046 15.888,1047 0.229,1048 26.926,1049 12.811,1050 2.414,1051 7.011,1052 23.548,1053 3.535,1054 14.395,1055 17.345,1056 6.88,1057 29.371,1058 13.953,1059 2.215,1060 6.866,1061 25.431,1062 2.811,1063 15.52,1064 18.719,1065 0.153,1066 31.784,1067 15.057,1068 2.015,1069 6.312,1070 27.321,1071 2.519,1072 16.686,1073 20.158,1074 7.91,1075 34.223,1076 16.194,1077 1.705,1078 5.852,1079 29.217,1080 2.513,1081 17.836,1082 21.557,1083 0.1,1084 36.651,1085 17.319,1086 10166,1087 15418,1088 20.978,1089 35.733,1090 46.103,1091 47.389,1092 47.392,1093 45.859,1094 45.81,1095 52.867,1096 11.589,1097 130.437,1098 42.88,1099 5.597,1100 5.802,1101 6.704,1102 5.333,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.778,1109 1.487,1110 1.529,1111 1.529,1112 1.479,1113 1.478,1114 1.705,1115 0.374,1116 4.208,1117 1.383,1118 4.028,1119 4.049,1120 3.988,1121 3.929,1122 7.433,1123 3.94,1124 3.814,1125 3.878,1126 3.709,1127 3.624,1128 4.899,1129 3.636,1130 3.796,1131 3.856,1132 3.68,1133 3.586,1134 4.628,1135 3.6,1136 3.542,1137 3.575,1138 3.46,1139 3.38,1140 4.514,1141 3.39,1142 3.353,1143 3.414,1144 3.198,1145 3.147,1146 4.367,1147 3.146,1148 3.158,1149 3.259,1150 3.034,1151 2.941,1152 4.087,1153 2.922,1154 3.129,1155 3.206,1156 2.93,1157 2.941,1158 4.066,1159 2.91,1160 3.111,1161 3.206,1162 2.866,1163 2.916,1164 3.841,1165 2.91,1166 0.148,1167 0.123,1168 0.223,1169 0.136,1170 0.105,1171 4.597,1172 0.135,1173 3.802,1174 0.054,1175 6.902,1176 0.371,1177 4.229,1178 0.102,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.959,1185 1.945,1186 2.048,1187 2.084,1188 1.307,1189 2.073,1190 1.764,1191 1.7,1192 1.966,1193 1.992,1194 1.255,1195 1.988,1196 1.73,1197 1.666,1198 1.942,1199 1.952,1200 1.145,1201 1.952,1202 1.493,1203 1.455,1204 1.706,1205 1.694,1206 0.928,1207 1.693,1208 1.329,1209 1.266,1210 1.623,1211 1.559,1212 0.825,1213 1.581,1214 1.153,1215 1.064,1216 1.538,1217 1.435,1218 0.825,1219 1.476,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.784,1225 1.429,1226 1.153,1227 1.051,1228 1.513,1229 1.376,1230 0.635,1231 1.429,1232 4.143,1233 5.46,1235 6.982,1237 8.602,1239 10.276,1241 4.111,1247 8.535,1249 16.931,1252 6.75,1257 33.772,1258 86.6,1259 172.347,1260 238.642,1261 273.455,1262 278.965,1263 278.965,1264 44.469,1265 7.667,1266 58.39,1267 58.39,1268 24,1269 12.565,1270 3.17,1271 2.585,1272 42.7,1273 121,1274 126,1275 0.174,1276 204.367,1277 366.48,1278 490.415,1279 23179,1281 19.51,1282 0.697,1283 0.599,1284 19.51,1285 16.778,1286 13.614,1287 0.439,1288 0.324,1289 9.844,1290 12.833,1291 9.597,1292 7.858,1293 13.614,1294 10.055,1295 12.207,1296 0.284,1297 0.177,1298 12.207,1299 7.614,1300 10.318,1301 0.181,1302 0.1,1303 10.318,1304 5.708,1305 8.784,1306 0.117,1307 0.052,1308 8.784,1309 3.929,1310 7.046,1311 0.073,1312 0.028,1313 7.046,1314 2.691,1315 0.278,1316 86.871,1317 0.218,1318 27.167,1319 0.463,1320 148,1321 441.877,1322 167.198,1323 405.001,1324 552.15,1325 384,1326 174,1327 398.69,1328 194.451,1329 396.408,1330 587.46,1331 372,1332 6.173}
{0 CHEMBL600017,1 1.456,2 12.75,3 3.114,4 9.697,5 112.198,6 6.535,7 0.194,8 4.163,9 4.292,10 3.631,11 3.63,12 5.089,13 3.599,14 4.783,15 4.993,16 3.984,17 4.042,18 5.674,19 3.99,20 5.046,21 5.277,22 4.062,23 4.247,24 5.878,25 4.148,26 5.129,27 5.381,28 3.994,29 4.247,30 5.959,31 4.114,32 5.129,33 5.389,34 3.879,35 4.111,36 6.021,37 3.995,38 4.91,39 5.155,40 3.774,41 3.96,42 5.852,43 3.854,44 4.732,45 4.963,46 3.644,47 3.919,48 5.589,49 3.796,50 4.725,51 4.958,52 3.517,53 3.866,54 5.578,55 3.72,56 0.028,57 0.852,58 14.384,59 5.538,60 5.888,61 7.958,62 0.375,63 1.395,64 28.042,65 8.631,66 28.934,67 13.221,68 0.518,69 1.696,70 36.418,71 12.355,72 30.609,73 18.144,74 0.366,75 1.715,76 39.17,77 13.959,78 35.076,79 20.379,80 0.571,81 1.546,82 40.539,83 12.394,84 58.929,85 18.044,86 0.646,87 1.301,88 32.614,89 10.065,90 57.585,91 14.676,92 0.37,93 1.195,94 26.461,95 9.394,96 29.482,97 13.538,98 0.236,99 1.161,100 26.126,101 9.35,102 31.339,103 13.505,104 10,105 43,106 0.24,107 0.488,108 0.71,109 0.815,110 0.815,111 0.815,112 3.374,113 1.014,114 -3.73,115 -3.7,116 -3.52,119 37.3,120 1,121 3,124 1,125 8,135 1,137 1,138 3,139 1,140 2,151 1,163 6,165 1,166 7,172 6,175 4,176 7,183 4,186 1,187 7,194 2,198 9,208 3,209 6,220 2,221 2,227 4,231 3,238 4,241 1,242 3,249 3,252 1230,253 19.068,254 19.068,255 19.068,256 19.068,257 19.068,258 17.978,259 28.23,260 11.326,261 19.638,262 15.305,263 15.305,264 15.305,265 15.305,266 15.305,267 13.531,268 37.73,269 5.409,270 16.197,271 4.427,272 2.924,273 1.578,274 0.941,275 0.941,276 0.941,277 4.073,282 1,283 1,284 779,285 2.739,288 334.575,292 125.271,295 2.25,296 22.719,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 60.5,308 357,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.065,319 3.064,320 6.193,321 3.71,322 2.759,323 3.535,324 0.86,325 9.105,326 2.624,327 3.588,328 2.995,329 5.39,330 3.453,331 2.528,332 2.811,333 0.8,334 7.011,335 2.338,336 3.505,337 2.854,338 5.33,339 3.347,340 2.414,341 2.519,342 0.8,343 6.866,344 2.247,345 3.433,346 2.709,347 5.196,348 3.164,349 2.215,350 2.513,351 0.8,352 6.312,353 2.095,354 3.297,355 2.561,356 5.063,357 2.948,358 2.015,359 2.399,361 5.852,362 1.853,363 2.869,364 2.149,365 4.794,366 2.643,367 1.705,368 1.892,370 5.017,371 1.589,372 2.626,373 1.674,374 3.91,375 2.521,376 1.542,377 1.624,379 3.235,380 1.504,381 2.547,382 1.454,383 3.681,384 2.14,385 1.162,386 1.538,388 2.86,389 1.131,390 2.117,391 1.304,392 3.414,393 1.984,394 1.01,395 1.094,397 2.316,398 0.983,399 2,400 1.146,401 3.374,402 1.967,403 1,404 1,406 2.275,407 0.965,408 2,409 1.077,410 3.247,411 1.955,412 1,413 1,415 2.136,416 0.945,417 1.481,418 0.84,419 3.215,420 1.228,421 0.26,422 0.282,424 0.66,425 0.248,426 1.185,427 0.549,428 2.825,429 0.972,430 0.034,431 0.038,433 0.084,434 0.032,435 1.096,436 0.336,437 2.661,438 0.803,439 -0.143,440 -0.172,442 -0.367,443 -0.134,444 13.2,445 0.471,446 0.644,447 0.023,448 29,449 1.036,450 10,451 0.357,452 19,453 0.679,454 28.416,455 1.015,456 32.4,457 0.549,458 21.116,459 0.754,460 5.51,461 0.197,462 8.104,463 0.289,464 0.101,466 0.318,472 0.813,473 1.657,474 0.886,475 1.361,476 0.577,477 1.164,478 1.103,479 1.063,480 0.973,481 0.923,482 0.535,483 0.902,484 0.949,485 0.952,486 1.015,487 1.005,488 0.671,489 1.011,490 0.75,491 1.138,492 0.919,493 1.176,494 0.766,495 1.088,496 1.623,497 0.911,498 1.033,499 0.896,500 1.949,501 0.893,502 1.434,503 0.889,504 1.038,505 0.876,506 1.591,507 0.907,508 1.026,509 1.013,510 1.08,511 1.063,512 0.962,513 1.085,514 1.077,515 1.27,516 1.172,517 1.291,518 1.534,519 1.263,520 5,521 0.136,522 2.889,523 2.063,524 1.742,525 0.965,526 0.644,527 0.299,528 0.266,529 0.157,530 10793,531 21074,532 2.115,533 52.5,534 5,535 22,540 4,542 1.706,543 2,544 3.592,545 -0.778,547 1,550 85.879,551 1.456,552 2.959,553 4.305,554 4.942,555 4.942,556 4.942,557 3.128,558 4.28,559 4.771,560 3.776,561 1427.26,562 8.276,563 19109.7,565 1,567 1,568 347.076,569 1.333,570 4.748,571 0.161,572 0.007,573 0.067,574 0.046,575 0.044,576 0.028,577 0.02,578 0.01,579 0.011,580 0.007,581 0.402,582 0.5,583 1,584 0.517,585 142.253,586 0.018,587 -0.345,588 0.093,589 -0.157,590 0.02,591 -0.043,592 -0.013,593 0.116,594 0.048,595 0.091,596 0.146,597 0.092,598 0.048,599 0.134,600 -0.022,601 0.017,602 0.058,603 -0.006,604 0.111,605 -0.153,606 0.042,607 -0.146,608 0.119,609 -0.07,610 -0.162,611 -0.016,612 0.006,613 0.046,614 -0.157,615 0.049,616 0.022,617 0.058,618 0.005,619 0.084,620 0.002,621 0.043,622 -0.01,623 0.02,624 -0.096,625 -0.02,626 -0.056,627 -0.068,628 -0.101,629 -0.264,630 -0.2,631 -0.243,632 -0.208,633 -0.241,634 1.917,635 5.697,636 0.786,637 32.352,638 0.994,639 1.135,640 2.505,641 6.274,642 0.628,643 3.466,644 3.784,645 4.06,646 4.331,647 4.575,648 4.644,649 4.762,650 4.89,651 4.984,652 5.03,653 7.214,654 0.586,655 385.56,656 3.466,657 5.004,658 5.855,659 6.732,660 7.6,661 8.487,662 9.364,663 10.257,664 11.141,665 12.038,666 5.1,669 3,681 3,686 3,688 6,701 1,703 59,705 8,706 1,707 31,709 62,710 22,711 6,712 3,713 3,714 3,717 4,718 5,721 1,724 3,727 3,729 9,730 13,733 2,737 1,741 3,744 1,747 31,748 6,750 6,755 3,760 0.75,761 3,776 4,780 1,786 1,788 1,789 1,792 3,796 3,801 2,805 28,810 11,812 2,815 3,825 5.1,828 1,830 2,832 14,833 11.1,834 6.139,835 3.894,836 1.664,837 1.217,838 0.968,839 6.241,840 9.331,841 3.611,842 4.103,843 4.598,844 5.102,845 5.587,846 5.887,847 6.193,848 6.542,849 6.768,850 6.804,851 0.889,852 45,853 10.458,854 4.419,855 7.518,856 20.733,857 17.366,859 2.018,860 56.5,863 1,864 364.904,865 99.392,866 9.373,868 47.145,871 99.392,872 412.049,873 9.373,874 17.222,875 26.936,876 28.429,877 35.093,878 48.231,880 364.904,882 364.904,883 108.765,884 47.145,887 317.82,888 94.229,891 45.134,892 60.874,893 2.757,895 364.904,896 56.518,897 99.392,900 364.904,901 53.742,902 55.023,904 47.145,905 364.904,906 56.518,907 99.392,909 0.58,910 0.339,911 0.185,912 0.102,913 21,914 9,915 0.081,916 5,917 1,918 1.091,919 4.062,920 241.168,921 0.091,922 22,923 126.606,928 19.745,929 8.85,930 4.556,932 56.518,933 5.858,938 2.354,941 520.814,942 36,946 12.697,950 1.454,952 58.658,953 66.936,954 0.247,955 0.503,956 0.732,957 0.84,958 0.84,959 0.84,960 4.879,961 1.542,962 5.832,963 5.017,964 4.466,965 4.787,966 2.395,967 6.637,968 4.36,969 6.034,970 1.162,971 7.385,972 3.235,973 4.007,974 4.559,975 0.766,976 7.535,977 3.848,978 7.324,979 1.01,980 9.04,981 2.86,982 6.047,983 6.827,984 2.955,985 10.665,986 5.844,987 8.647,988 1,989 10.758,990 2.316,991 6.415,992 7.455,993 0.653,994 12.438,995 6.175,996 10.01,997 1,998 12.519,999 2.275,1000 7.918,1001 9.231,1002 3.844,1003 15.104,1004 7.638,1005 11.4,1006 0.26,1007 14.31,1008 2.136,1009 8.689,1010 10.262,1011 0.482,1012 17.254,1013 8.386,1014 12.813,1015 0.034,1016 16.126,1017 0.66,1018 9.973,1019 11.842,1020 4.834,1021 19.768,1022 9.636,1023 3.26,1024 -0.143,1025 17.961,1026 0.084,1027 10.948,1028 13.069,1029 0.337,1030 22.082,1031 10.591,1032 2.759,1033 11.49,1034 19.811,1035 -0.367,1036 12.148,1037 14.564,1038 5.853,1039 24.543,1040 11.76,1041 2.528,1042 9.105,1043 21.674,1044 4.189,1045 13.224,1046 15.888,1047 0.229,1048 26.926,1049 12.814,1050 2.414,1051 7.011,1052 23.548,1053 3.535,1054 14.395,1055 17.345,1056 6.88,1057 29.371,1058 13.958,1059 2.215,1060 6.866,1061 25.431,1062 2.811,1063 15.52,1064 18.719,1065 0.153,1066 31.784,1067 15.059,1068 2.015,1069 6.312,1070 27.321,1071 2.519,1072 16.686,1073 20.158,1074 7.91,1075 34.223,1076 16.197,1077 1.705,1078 5.852,1079 29.217,1080 2.513,1081 17.836,1082 21.557,1083 0.1,1084 36.651,1085 17.321,1086 10166,1087 14414,1088 20.978,1089 37.04,1090 46.103,1091 47.233,1092 47.392,1093 45.877,1094 45.81,1095 52.867,1096 9.869,1097 130.437,1098 43.421,1099 5.597,1100 5.802,1101 6.704,1102 5.328,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.778,1109 1.487,1110 1.524,1111 1.529,1112 1.48,1113 1.478,1114 1.705,1115 0.318,1116 4.208,1117 1.401,1118 4.029,1119 4.051,1120 3.988,1121 3.93,1122 7.433,1123 3.94,1124 3.852,1125 3.92,1126 3.722,1127 3.692,1128 4.898,1129 3.687,1130 3.804,1131 3.865,1132 3.698,1133 3.624,1134 4.524,1135 3.635,1136 3.551,1137 3.588,1138 3.464,1139 3.389,1140 4.386,1141 3.398,1142 3.391,1143 3.46,1144 3.232,1145 3.218,1146 4.284,1147 3.211,1148 3.159,1149 3.26,1150 3.035,1151 2.941,1152 4.086,1153 2.923,1154 3.13,1155 3.206,1156 2.935,1157 2.941,1158 4.027,1159 2.91,1160 3.111,1161 3.206,1162 2.866,1163 2.917,1164 3.77,1165 2.91,1166 0.148,1167 0.123,1168 0.223,1169 0.136,1170 0.105,1171 4.597,1172 0.135,1173 3.802,1174 0.054,1175 6.902,1176 0.371,1177 4.229,1178 0.102,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.959,1185 1.945,1186 2.062,1187 2.085,1188 1.412,1189 2.074,1190 1.83,1191 1.764,1192 2.044,1193 2.023,1194 1.307,1195 2.037,1196 1.759,1197 1.694,1198 1.953,1199 1.959,1200 1.149,1201 1.961,1202 1.506,1203 1.465,1204 1.734,1205 1.71,1206 1.01,1207 1.716,1208 1.389,1209 1.32,1210 1.654,1211 1.586,1212 0.825,1213 1.611,1214 1.154,1215 1.064,1216 1.538,1217 1.436,1218 0.825,1219 1.477,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.788,1225 1.429,1226 1.153,1227 1.051,1228 1.513,1229 1.376,1230 0.636,1231 1.429,1232 4.143,1233 5.46,1235 6.982,1237 8.602,1239 10.276,1241 4.129,1247 11.493,1249 11.625,1252 6.892,1257 34.584,1258 85.879,1259 174.554,1260 253.999,1261 291.566,1262 291.566,1263 291.566,1264 44.741,1265 7.667,1266 49.16,1267 49.16,1268 24,1269 12.565,1270 3.17,1271 2.585,1272 42.7,1273 121,1274 126,1275 0.174,1276 209.963,1277 374.99,1278 504.07,1279 23179,1281 19.51,1282 0.697,1283 0.61,1284 19.51,1285 17.077,1286 13.614,1287 0.439,1288 0.338,1289 10.306,1290 12.978,1291 10.037,1292 8.277,1293 13.614,1294 10.478,1295 12.207,1296 0.284,1297 0.187,1298 12.207,1299 8.062,1300 10.318,1301 0.181,1302 0.106,1303 10.318,1304 6.053,1305 8.784,1306 0.117,1307 0.057,1308 8.784,1309 4.287,1310 7.046,1311 0.073,1312 0.032,1313 7.046,1314 3.025,1315 0.278,1316 85.871,1317 0.218,1318 27.167,1319 0.463,1320 148,1321 398.142,1322 164.319,1323 372.016,1324 512.79,1325 352,1326 174,1327 379.054,1328 191.683,1329 378.785,1330 560.98,1331 356,1332 6.708}
{0 CHEMBL600018,1 1.475,2 12,3 2.658,4 7.064,5 107.597,6 6.634,7 0.2,8 4.117,9 4.244,10 3.6,11 3.582,12 5.056,13 3.556,14 4.735,15 4.943,16 3.959,17 3.994,18 5.642,19 3.95,20 4.977,21 5.203,22 4,23 4.177,24 5.828,25 4.081,26 5.04,27 5.286,28 3.958,29 4.172,30 5.9,31 4.05,32 5.056,33 5.306,34 3.85,35 4.049,36 5.981,37 3.946,38 4.844,39 5.084,40 3.735,41 3.91,42 5.807,43 3.81,44 4.668,45 4.892,46 3.611,47 3.88,48 5.537,49 3.758,50 4.69,51 4.927,52 3.45,53 3.807,54 5.543,55 3.657,56 0.019,57 0.814,58 13.503,59 5.207,60 5.278,61 7.443,62 0.367,63 1.333,64 26.579,65 8.071,66 28.056,67 12.33,68 0.501,69 1.579,70 33.899,71 11.479,72 29.001,73 16.73,74 0.328,75 1.575,76 35.845,77 12.882,78 32.89,79 18.632,80 0.554,81 1.448,82 37.898,83 11.463,84 57.696,85 16.527,86 0.635,87 1.231,88 30.592,89 9.426,90 56.917,91 13.669,92 0.322,93 1.145,94 24.606,95 8.938,96 26.417,97 12.842,98 0.234,99 1.106,100 25.276,101 8.921,102 31.417,103 12.899,104 10,105 42,106 0.246,107 0.5,108 0.713,109 0.809,110 0.809,111 0.809,112 3.34,113 0.998,114 -3.52,115 -3.49,116 -3.33,119 37.5,120 1,121 2,124 1,125 8,135 1,137 1,138 3,139 1,140 2,151 1,163 5,165 1,166 7,172 5,175 4,176 6,183 4,186 1,187 7,194 2,198 9,208 3,209 5,220 2,221 2,227 4,231 3,238 2,241 1,242 3,249 2,252 1094,253 18.361,254 18.361,255 18.361,256 18.361,257 18.361,258 17.271,259 28.23,260 10.826,261 18.931,262 14.805,263 14.805,264 14.805,265 14.805,266 14.805,267 13.031,268 37.73,269 5.159,270 15.697,271 4.333,272 2.81,273 1.528,274 0.956,275 0.956,276 0.956,277 4.037,282 1,283 1,284 709,285 2.739,287 81.173,288 224.637,292 119.815,295 2.222,296 22.449,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 58.5,308 324,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.065,319 3.064,320 6.193,321 3.71,322 2.759,323 3.535,324 0.86,325 9.105,326 2.624,327 3.592,328 2.995,329 5.392,330 3.472,331 2.546,332 2.811,333 0.8,334 7.033,335 2.356,336 3.522,337 2.868,338 5.34,339 3.349,340 2.416,341 2.536,342 0.8,343 6.876,344 2.248,345 3.433,346 2.712,347 5.196,348 3.164,349 2.216,350 2.517,351 0.8,352 6.312,353 2.095,354 3.297,355 2.562,356 5.063,357 2.948,358 2.015,359 2.4,361 5.852,362 1.852,363 2.869,364 2.149,365 4.794,366 2.641,367 1.703,368 1.892,370 5.017,371 1.586,372 2.62,373 1.639,374 3.91,375 2.38,376 1.412,377 1.614,379 3.021,380 1.361,381 2.432,382 1.385,383 3.614,384 2.121,385 1.128,386 1.423,388 2.838,389 1.115,390 2,391 1.178,392 3.414,393 1.967,394 1,395 1,397 2.275,398 0.965,399 1.974,400 1.146,401 3.298,402 1.834,403 0.903,404 0.95,406 2.033,407 0.833,408 1.618,409 0.838,410 3.155,411 1.591,412 0.618,413 0.618,415 1.372,416 0.6,417 1.469,418 0.744,419 3,420 1.221,421 0.251,422 0.27,424 0.634,425 0.24,426 1.183,427 0.546,428 2.813,429 0.929,430 -0.019,431 -0.022,433 -0.048,434 -0.018,435 1.037,436 0.245,437 2.586,438 0.76,439 -0.176,440 -0.204,442 -0.451,443 -0.163,444 12.7,445 0.47,446 0.644,447 0.024,448 28.5,449 1.056,450 10,451 0.37,452 18.5,453 0.685,454 26.439,455 0.979,456 31.1,457 0.555,458 20.727,459 0.768,460 5.51,461 0.204,462 7.604,463 0.282,464 0.105,466 0.331,472 0.813,473 1.663,474 0.866,475 1.356,476 0.576,477 1.15,478 1.109,479 1.043,480 0.956,481 0.893,482 0.536,483 0.872,484 0.966,485 0.938,486 1.037,487 1.015,488 0.687,489 1.027,490 0.745,491 1.137,492 0.882,493 1.171,494 0.79,495 1.068,496 1.683,497 0.931,498 1.068,499 0.914,500 2.021,501 0.912,502 1.421,503 0.869,504 1.048,505 0.855,506 1.611,507 0.901,508 0.893,509 1.071,510 1.083,511 1.132,512 0.914,513 1.143,514 1.068,515 1.271,516 1.175,517 1.298,518 1.516,519 1.272,520 5,521 0.117,522 2.889,523 2.097,524 1.716,525 0.955,526 0.61,527 0.314,528 0.25,529 0.147,530 9691,531 19426,532 2.12,533 51.8,534 3,535 22,540 4,542 1.697,543 2,544 3.511,545 -0.769,546 1,547 1,550 82.582,551 1.475,552 2.997,553 4.279,554 4.852,555 4.852,556 4.852,557 3.134,558 4.385,559 4.717,560 3.711,561 1302.67,562 8.173,563 16829.1,565 1,567 1,568 325.212,569 1.352,570 4.694,571 0.167,572 0.007,573 0.069,574 0.05,575 0.044,576 0.028,577 0.02,578 0.011,579 0.011,580 0.008,581 0.414,582 0.5,583 1,584 0.528,585 135.04,586 0.013,587 -0.359,588 0.094,589 -0.164,590 0.015,591 -0.046,592 -0.022,593 0.134,594 0.057,595 0.111,596 0.143,597 0.11,598 0.038,599 0.145,600 -0.049,601 0.004,602 0.051,603 -0.028,604 0.124,605 -0.158,606 0.077,607 -0.135,608 0.122,609 -0.047,610 -0.189,611 -0.029,612 -0.022,613 0.032,614 -0.184,615 0.029,616 0.007,617 0.082,618 -0.009,619 0.108,620 -0.013,621 0.051,622 0.015,623 -0.022,624 -0.119,625 -0.076,626 -0.049,627 -0.116,628 -0.1,629 -0.285,630 -0.207,631 -0.264,632 -0.209,633 -0.258,634 1.918,635 5.665,636 0.778,637 30.354,638 0.996,639 1.134,640 2.286,641 5.226,642 0.63,643 3.434,644 3.761,645 4.043,646 4.317,647 4.511,648 4.625,649 4.745,650 4.875,651 4.97,652 5.004,653 6.917,654 0.59,655 371.53,656 3.434,657 4.977,658 5.832,659 6.713,660 7.584,661 8.473,662 9.353,663 10.248,664 11.134,665 12.033,666 5.4,669 3,681 3,686 3,688 6,701 1,703 56,705 8,706 1,707 30,709 59,710 21,711 6,712 3,713 3,714 3,717 4,718 5,721 1,724 2,727 2,729 9,730 12,733 2,737 1,741 3,744 1,747 29,748 6,750 6,755 3,760 0.75,761 3,773 1,775 1,776 3,780 1,786 1,788 1,789 1,792 3,796 3,801 2,805 27,810 10,812 2,815 3,825 5.4,828 1,830 2,832 13.5,833 10.6,834 5.889,835 3.644,836 1.669,837 1.221,838 0.972,839 5.714,840 9.237,841 3.584,842 4.086,843 4.588,844 5.096,845 5.564,846 5.882,847 6.189,848 6.539,849 6.765,850 6.797,851 1,852 42,853 10.079,854 4.275,855 7.537,856 19.916,857 16.699,859 2.037,860 55,863 1,864 341.362,865 96.858,866 9.373,868 47.145,871 96.858,872 388.507,873 9.373,874 17.222,875 24.401,876 28.429,877 35.093,878 48.231,880 341.362,882 341.362,883 106.231,884 47.145,887 294.278,888 94.229,891 42.6,892 60.874,893 2.757,895 341.362,896 56.518,897 96.858,900 341.362,901 51.207,902 55.023,904 47.145,905 341.362,906 56.518,907 96.858,909 0.583,910 0.342,911 0.187,912 0.095,913 21,914 9,915 0.085,916 5,917 1,918 1.095,919 3.972,920 231.058,921 0.095,922 21,923 120.382,928 18.789,929 8.212,930 4.153,932 56.518,933 5.84,938 2.348,941 494.737,942 35,946 12.665,950 1.45,952 55.774,953 63.521,954 0.254,955 0.516,956 0.737,957 0.835,958 0.835,959 0.835,960 4.856,961 1.412,962 5.814,963 5.017,964 4.443,965 4.771,966 2.395,967 6.627,968 4.334,969 6.017,970 1.128,971 7.372,972 3.021,973 4.007,974 4.559,975 0.766,976 7.535,977 3.848,978 7.311,979 1,980 9.032,981 2.838,982 6.033,983 6.82,984 2.955,985 10.663,986 5.826,987 8.64,988 0.903,989 10.753,990 2.275,991 6.431,992 7.461,993 0.653,994 12.44,995 6.192,996 10.007,997 0.618,998 12.516,999 2.033,1000 7.91,1001 9.229,1002 3.844,1003 15.104,1004 7.628,1005 11.399,1006 0.251,1007 14.309,1008 1.372,1009 8.703,1010 10.265,1011 0.482,1012 17.256,1013 8.4,1014 12.814,1015 -0.019,1016 16.126,1017 0.634,1018 9.972,1019 11.841,1020 4.834,1021 19.768,1022 9.632,1023 3.26,1024 -0.176,1025 17.961,1026 -0.048,1027 10.958,1028 13.07,1029 0.337,1030 22.082,1031 10.599,1032 2.759,1033 11.49,1034 19.811,1035 -0.451,1036 12.149,1037 14.564,1038 5.853,1039 24.543,1040 11.759,1041 2.546,1042 9.105,1043 21.675,1044 4.189,1045 13.23,1046 15.889,1047 0.229,1048 26.927,1049 12.819,1050 2.416,1051 7.033,1052 23.548,1053 3.535,1054 14.397,1055 17.345,1056 6.88,1057 29.371,1058 13.959,1059 2.216,1060 6.876,1061 25.431,1062 2.811,1063 15.524,1064 18.719,1065 0.153,1066 31.784,1067 15.062,1068 2.015,1069 6.312,1070 27.321,1071 2.536,1072 16.688,1073 20.158,1074 7.91,1075 34.223,1076 16.198,1077 1.703,1078 5.852,1079 29.218,1080 2.517,1081 17.838,1082 21.557,1083 0.1,1084 36.651,1085 17.323,1086 9111,1087 13086,1088 20.285,1089 35.279,1090 44.676,1091 45.808,1092 45.771,1093 44.555,1094 44.456,1095 51.509,1096 9.869,1097 127.717,1098 42.065,1099 5.597,1100 5.802,1101 6.56,1102 5.332,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.442,1109 1.489,1110 1.527,1111 1.526,1112 1.485,1113 1.482,1114 1.717,1115 0.329,1116 4.257,1117 1.402,1118 4.028,1119 4.051,1120 3.988,1121 3.93,1122 7.433,1123 3.94,1124 3.851,1125 3.921,1126 3.726,1127 3.682,1128 4.898,1129 3.681,1130 3.803,1131 3.865,1132 3.697,1133 3.624,1134 4.525,1135 3.635,1136 3.545,1137 3.58,1138 3.461,1139 3.386,1140 4.387,1141 3.395,1142 3.354,1143 3.423,1144 3.189,1145 3.177,1146 4.288,1147 3.168,1148 3.158,1149 3.259,1150 3.034,1151 2.941,1152 4.086,1153 2.922,1154 3.129,1155 3.206,1156 2.928,1157 2.916,1158 4.021,1159 2.91,1160 3.111,1161 3.158,1162 2.866,1163 2.851,1164 3.767,1165 2.867,1166 0.153,1167 0.127,1168 0.23,1169 0.141,1170 0.109,1171 4.597,1172 0.14,1173 3.802,1174 0.056,1175 6.902,1176 0.383,1177 4.229,1178 0.105,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.958,1185 1.945,1186 2.048,1187 2.084,1188 1.307,1189 2.072,1190 1.761,1191 1.696,1192 1.955,1193 1.966,1194 1.211,1195 1.966,1196 1.601,1197 1.534,1198 1.86,1199 1.842,1200 1.164,1201 1.843,1202 1.577,1203 1.507,1204 1.833,1205 1.751,1206 1.125,1207 1.793,1208 1.471,1209 1.424,1210 1.681,1211 1.652,1212 0.825,1213 1.657,1214 1.174,1215 1.093,1216 1.538,1217 1.448,1218 0.817,1219 1.481,1220 1.153,1221 1.064,1222 1.513,1223 1.412,1224 0.762,1225 1.447,1226 1.148,1227 1.047,1228 1.501,1229 1.376,1230 0.635,1231 1.429,1232 4.111,1233 5.434,1234 2.398,1235 6.952,1236 4.443,1237 8.568,1238 6.26,1239 10.241,1241 4.124,1247 10.149,1249 11.567,1252 6.856,1257 33.057,1258 82.582,1259 167.839,1260 239.644,1261 271.702,1262 271.702,1263 271.702,1264 41.888,1265 7.568,1266 49.16,1267 49.16,1268 23,1269 12.558,1270 3.17,1271 2.585,1272 40.432,1273 112,1274 110,1275 0.179,1276 200.371,1277 357.69,1278 480.664,1279 20039,1281 18.803,1282 0.696,1283 0.606,1284 18.803,1285 16.37,1286 13.114,1287 0.437,1288 0.333,1289 9.806,1290 12.478,1291 9.546,1292 7.86,1293 13.114,1294 9.978,1295 11.854,1296 0.282,1297 0.184,1298 11.854,1299 7.709,1300 10.068,1301 0.18,1302 0.104,1303 10.068,1304 5.803,1305 8.607,1306 0.116,1307 0.056,1308 8.607,1309 4.111,1310 6.433,1311 0.071,1312 0.028,1313 6.433,1314 2.551,1315 0.285,1316 82.871,1317 0.222,1318 26.281,1319 0.482,1320 144,1321 394.142,1322 160.319,1323 367.854,1324 507.03,1325 348,1326 170,1327 375.054,1328 187.683,1329 374.624,1330 555.22,1331 352,1332 5.821}
{0 CHEMBL600019,1 1.634,2 7.4,3 1.004,4 1.008,5 73.668,6 7.676,7 0.273,8 3.72,9 3.822,10 3.292,11 3.175,12 4.888,13 3.193,14 4.251,15 4.413,16 3.685,17 3.576,18 5.421,19 3.58,20 4.519,21 4.701,22 3.802,23 3.755,24 5.637,25 3.735,26 4.578,27 4.759,28 3.827,29 3.75,30 5.86,31 3.72,32 4.626,33 4.796,34 3.585,35 3.645,36 5.843,37 3.606,38 4.484,39 4.721,40 3.394,41 3.446,42 5.777,43 3.361,44 4.204,45 4.439,46 2.86,47 3.173,48 5.273,49 3.046,50 3.92,51 4.21,52 2.477,53 2.809,54 4.852,55 2.636,56 0.126,57 0.518,58 7.431,59 3.218,60 14.892,61 3.945,62 0.323,63 0.835,64 14.141,65 5.077,66 26.513,67 6.803,68 0.476,69 1.01,70 19.681,71 6.925,72 37.914,73 9.133,74 0.574,75 1.004,76 21.129,77 7.686,78 61.67,79 10.274,80 0.789,81 0.937,82 23.918,83 7.243,84 92.853,85 8.867,86 0.726,87 0.815,88 21.805,89 6.353,90 98.734,91 9.107,92 0.494,93 0.615,94 16.426,95 4.787,96 62.796,97 6.647,98 0.306,99 0.449,100 12.889,101 3.724,102 37.007,103 5.725,104 17,105 32,106 0.301,107 0.652,108 0.744,109 0.806,110 0.826,111 0.826,112 3.06,113 0.89,114 -2.11,115 -2.16,116 -2.14,119 38.9,120 1,125 4,135 1,137 1,138 2,139 1,140 3,151 1,163 2,165 1,166 3,171 4,172 4,175 2,176 4,179 1,181 1,183 2,187 5,190 2,191 1,192 3,194 2,198 2,201 1,203 2,209 1,212 4,214 3,224 1,235 1,236 2,252 404,253 13.276,254 13.276,255 13.276,256 13.276,257 13.276,258 12.08,259 20.631,260 7.709,261 13.621,262 10.846,263 10.846,264 10.846,265 10.846,266 10.846,267 8.962,268 29.581,269 3.649,270 11.41,271 3.536,272 1.634,273 1.132,274 0.799,275 0.688,276 0.688,277 3.733,282 1,283 1,284 318,285 2,288 143.238,292 76.852,295 1.3,296 30.242,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 45,308 148,309 4.651,310 3.809,311 6.993,312 4.276,313 3.307,314 4.295,315 1.674,316 11.82,317 3.203,318 4.131,319 3.173,320 6.381,321 3.771,322 2.814,323 3.59,324 0.8,325 9.64,326 2.688,327 3.51,328 2.941,329 5.295,330 3.176,331 2.229,332 2.785,333 0.4,334 6.454,335 2.109,336 3.417,337 2.49,338 5.17,339 3.116,340 2.169,341 2.612,343 6.228,344 2.031,345 3.151,346 2.299,347 4.928,348 2.824,349 1.877,350 2.244,352 5.366,353 1.765,354 3.009,355 2.114,356 4.659,357 2.594,358 1.633,359 2.059,361 4.47,362 1.551,363 2.375,364 1.744,365 3.675,366 2.248,367 1.325,368 1.364,370 2.96,371 1.218,372 2,373 1.146,374 3.247,375 1.967,376 1,377 1,379 2.136,380 0.965,381 1.514,382 0.956,383 3.203,384 1.144,385 0.177,386 0.208,388 0.491,389 0.168,390 1.167,391 0.486,392 3.047,393 0.896,394 -0.05,395 -0.057,397 -0.135,398 -0.047,399 1,400 0.228,401 2.649,402 0.663,403 -0.303,404 -0.384,406 -0.774,407 -0.287,408 0.701,409 -0.07,410 2.304,411 0.323,412 -0.58,413 -0.672,415 -1.349,416 -0.51,417 0.23,418 -0.37,419 2.052,420 0.116,421 -0.871,422 -0.936,424 -1.941,425 -0.852,426 0.187,427 -0.6,428 1.624,429 -0.1,430 -1,431 -1,433 -2.347,434 -0.9,436 -0.727,437 1.555,438 -0.158,439 -1.098,440 -1.375,442 -2.956,443 -1.04,444 9.133,445 0.457,446 0.597,447 0.03,448 24,449 1.2,450 10.5,451 0.525,452 13.5,453 0.675,454 15.722,455 0.786,456 22.667,457 0.63,458 17.541,459 0.877,460 4.854,461 0.243,462 4.721,463 0.236,464 0.164,466 0.427,472 0.931,473 1.359,474 0.792,475 1.102,476 0.814,477 0.938,478 0.742,479 1.121,480 0.757,481 0.962,482 0.482,483 0.852,484 0.869,485 0.924,486 0.878,487 0.967,488 0.781,489 0.921,490 0.648,491 1.163,492 0.793,493 1.211,494 0.628,495 1.065,496 1.712,497 1.061,498 1.403,499 1.082,500 1.761,501 1.17,502 0.833,503 0.926,504 0.952,505 0.957,506 0.841,507 0.986,508 1.213,509 0.937,510 1.313,511 1.004,512 1.455,513 1.164,514 0.675,515 0.967,516 0.928,517 1.001,518 0.762,519 1.034,520 4,521 0.012,522 2.222,523 2.5,524 1.671,525 0.903,526 0.382,527 0.137,528 0.102,529 0.03,530 3286,531 9803,532 2.048,533 44.4,534 3,535 10,538 3,542 1.625,543 1.875,544 2.854,545 1.152,547 1,548 1,550 58.814,551 1.634,552 3.536,553 4.038,554 4.371,555 4.482,556 4.482,557 2.485,558 3.584,559 4.294,560 2.961,561 562.671,562 7.371,563 5469.34,564 1,565 1,568 186.117,569 1.522,570 4.231,571 0.182,572 0.012,573 0.069,574 0.071,575 0.049,576 0.036,577 0.019,578 0.012,579 0.015,580 0.01,581 0.476,582 0.67,583 1,584 0.68,585 85.755,586 -0.142,587 -0.125,588 0.01,589 0.014,590 -0.115,591 0.045,592 0.022,593 0.054,594 0.109,595 0.065,596 0.107,597 0.118,598 -0.016,599 0.164,600 0.032,601 0.042,602 -0.036,603 0.052,604 0.235,605 -0.158,606 0.133,607 -0.18,608 0.23,609 -0.064,610 -0.358,611 -0.145,612 -0.389,613 -0.121,614 -0.351,615 -0.25,616 0.165,617 -0.033,618 0.068,619 -0.023,620 0.236,621 -0.01,622 -0.194,623 -0.041,624 -0.303,625 -0.07,626 -0.273,627 -0.198,628 0.081,629 -0.133,630 0.095,631 -0.076,632 0.006,633 -0.009,634 2.109,635 5.184,636 0.8,637 12,638 1.019,639 1.132,640 0.885,641 0.783,642 0.643,643 3.135,644 3.497,645 3.807,646 4.143,647 4.344,648 4.454,649 4.443,650 4.585,651 4.489,652 4.407,653 4.403,654 0.627,655 276.32,656 3.135,657 4.691,658 5.565,659 6.475,660 7.366,661 8.285,662 9.182,663 10.105,664 11.005,665 11.93,666 5.6,668 1,669 1,681 2,686 4,688 6,700 2,703 36,705 8,706 1,707 22,709 38,710 14,711 6,712 4,713 2,714 3,717 3,718 4,721 1,729 9,730 5,733 2,737 1,741 3,743 1,744 1,747 16,748 6,749 3,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,791 1,792 1,796 2,801 1,805 20,809 2,810 4,811 1,812 1,815 1,825 11.1,827 2,828 1,830 1,832 10.667,833 6.6,834 4.333,835 2.121,836 1.723,837 1.255,838 0.928,839 3.415,840 8.478,841 3.332,842 3.922,843 4.48,844 5.06,845 5.525,846 5.866,847 6.009,848 6.389,849 6.472,850 6.444,851 1,852 35,853 7.442,854 3.286,855 8.033,856 13.878,857 11.56,859 2.533,860 50.667,864 153.024,865 57.763,866 21.135,868 121.512,871 57.763,872 274.536,873 21.135,874 8.825,875 8.423,876 36.963,877 120.46,878 25.739,880 153.024,882 153.024,883 78.898,884 121.512,887 153.024,888 121.512,891 38.383,892 37.758,893 2.757,895 153.024,896 142.647,897 57.763,900 153.024,901 29.985,902 30.902,903 18.011,904 121.512,905 153.024,906 142.647,907 57.763,909 0.591,910 0.356,911 0.211,912 0.11,913 17,914 8,915 0.026,916 1,917 1,918 1.125,919 3.086,920 159.342,921 0.125,922 16,923 82.439,928 13.426,929 5.088,930 2.317,932 142.647,933 2.585,938 0.449,940 103.377,941 353.434,942 27,946 12.184,950 0.72,952 36.698,953 40.741,954 0.316,955 0.684,956 0.781,957 0.846,958 0.867,959 0.867,960 4.61,961 1,962 5.58,963 2.96,964 4.174,965 4.605,966 2.065,967 6.457,968 4.079,969 5.827,970 0.177,971 7.18,972 2.136,973 3.892,974 4.575,975 0.325,976 7.489,977 3.76,978 7.16,979 -0.05,980 8.884,981 0.491,982 5.82,983 6.786,984 2.847,985 10.659,986 5.647,987 8.528,988 -0.303,989 10.649,990 -0.135,991 6.33,992 7.541,993 0.268,994 12.528,995 6.131,996 9.93,997 -0.58,998 12.454,999 -0.774,1000 7.78,1001 9.296,1002 3.814,1003 15.235,1004 7.545,1005 11.357,1006 -0.871,1007 14.287,1008 -1.349,1009 8.663,1010 10.412,1011 0.188,1012 17.45,1013 8.404,1014 12.803,1015 -1,1016 16.141,1017 -1.941,1018 9.934,1019 11.989,1020 4.826,1021 19.996,1022 9.642,1023 3.307,1024 -1.098,1025 18.011,1026 -2.347,1027 10.986,1028 13.277,1029 0.125,1030 22.354,1031 10.669,1032 2.814,1033 11.82,1034 19.894,1035 -2.956,1036 12.194,1037 14.78,1038 5.851,1039 24.842,1040 11.845,1041 2.229,1042 9.64,1043 21.787,1044 4.295,1045 13.32,1046 16.15,1047 0.082,1048 27.259,1049 12.945,1050 2.169,1051 6.454,1052 23.688,1053 3.59,1054 14.508,1055 17.622,1056 6.88,1057 29.728,1058 14.103,1059 1.877,1060 6.228,1061 25.596,1062 2.785,1063 15.668,1064 19.033,1065 0.054,1066 32.171,1067 15.234,1068 1.633,1069 5.366,1070 27.508,1071 2.612,1072 16.852,1073 20.492,1074 7.91,1075 34.636,1076 16.388,1077 1.325,1078 4.47,1079 29.425,1080 2.244,1081 18.027,1082 21.924,1083 0.035,1084 37.091,1085 17.533,1086 3260,1087 5740,1088 14.334,1089 23.159,1090 33.429,1091 34.572,1092 35.013,1093 33.132,1094 33.061,1095 40.316,1096 5.749,1097 99.131,1098 31.396,1099 5.651,1100 5.809,1101 6.794,1102 5.367,1103 5.307,1104 7.295,1105 3.349,1106 19.406,1107 5.203,1108 10.219,1109 1.519,1110 1.571,1111 1.591,1112 1.506,1113 1.503,1114 1.833,1115 0.261,1116 4.506,1117 1.427,1118 4.021,1119 4.036,1120 3.99,1121 3.922,1122 7.433,1123 3.935,1124 3.78,1125 3.842,1126 3.68,1127 3.6,1128 6.493,1129 3.611,1130 3.499,1131 3.532,1132 3.418,1133 3.349,1134 6.446,1135 3.355,1136 3.157,1137 3.206,1138 3.058,1139 2.941,1140 4.703,1141 2.922,1142 3.111,1143 3.186,1144 2.866,1145 2.884,1146 4.402,1147 2.91,1148 2.934,1149 3,1150 2.792,1151 2.688,1152 4.069,1153 2.696,1154 2.888,1155 2.945,1156 2.759,1157 2.601,1158 3.952,1159 2.63,1160 2.717,1161 2.736,1162 2.602,1163 2.447,1164 3.606,1165 2.477,1166 0.211,1167 0.173,1168 0.318,1169 0.194,1170 0.15,1171 4.651,1172 0.195,1173 3.809,1174 0.076,1175 6.993,1176 0.537,1177 4.276,1178 0.146,1179 3.307,1180 4.295,1181 1.674,1182 11.82,1183 3.203,1184 1.949,1185 1.939,1186 2.029,1187 2.078,1188 1.279,1189 2.062,1190 1.734,1191 1.671,1192 1.925,1193 1.942,1194 1.121,1195 1.94,1196 1.46,1197 1.421,1198 1.67,1199 1.639,1200 0.825,1201 1.643,1202 1.153,1203 1.064,1204 1.513,1205 1.376,1206 0.767,1207 1.429,1208 1.045,1209 1.01,1210 1.286,1211 1.363,1212 0.395,1213 1.341,1214 0.854,1215 0.804,1216 1.107,1217 1.174,1218 0.176,1219 1.152,1220 0.772,1221 0.703,1222 1.054,1223 1.14,1224 0.089,1225 1.101,1226 0.611,1227 0.574,1228 0.797,1229 0.898,1231 0.866,1232 3.807,1233 5.153,1235 6.715,1237 8.385,1239 10.112,1241 1.785,1246 19.464,1247 3.045,1248 3.223,1249 5.251,1252 1.962,1257 22.59,1258 58.814,1259 127.309,1260 145.362,1261 157.362,1262 161.362,1263 161.362,1264 39.266,1265 6.755,1266 85.94,1267 85.94,1268 18,1269 12.44,1270 3.17,1271 2.585,1272 29.715,1273 54,1274 50,1275 0.293,1276 137.82,1277 246.74,1278 328.04,1279 6364,1281 14.276,1282 0.714,1283 0.557,1284 14.276,1285 11.141,1286 9.575,1287 0.435,1288 0.297,1289 6.403,1290 9.078,1291 6.272,1292 5.151,1293 9.575,1294 6.527,1295 8.939,1296 0.279,1297 0.154,1298 8.939,1299 4.938,1300 7.421,1301 0.169,1302 0.082,1303 7.421,1304 3.626,1305 7.05,1306 0.114,1307 0.044,1308 7.05,1309 2.718,1310 5.048,1311 0.066,1312 0.023,1313 5.048,1314 1.731,1315 0.432,1316 61.076,1317 0.264,1318 19.249,1319 0.893,1320 108,1321 355.748,1322 122.542,1323 334.002,1324 449.1,1325 310,1326 130,1327 328.913,1328 144.629,1329 327.52,1330 485.81,1331 308,1332 5.361}
{0 CHEMBL600196,1 1.572,2 8.955,3 1.889,4 3.566,5 83.711,6 7.247,7 0.25,8 3.851,9 3.96,10 3.381,11 3.304,12 4.968,13 3.305,14 4.406,15 4.589,16 3.773,17 3.703,18 5.499,19 3.691,20 4.668,21 4.859,22 3.904,23 3.913,24 5.721,25 3.875,26 4.786,27 4.983,28 3.923,29 3.958,30 5.966,31 3.889,32 4.888,33 5.115,34 3.672,35 3.844,36 5.964,37 3.755,38 4.659,39 4.923,40 3.501,41 3.606,42 5.835,43 3.504,44 4.328,45 4.545,46 3.191,47 3.412,48 5.381,49 3.31,50 4.245,51 4.483,52 2.992,53 3.256,54 5.262,55 3.128,56 0.087,57 0.596,58 9.294,59 3.845,60 11.976,61 5.025,62 0.315,63 0.967,64 17.816,65 5.896,66 25.897,67 8.431,68 0.452,69 1.185,70 23.758,71 8.14,72 31.573,73 11.205,74 0.525,75 1.248,76 26.928,77 9.828,78 62.754,79 13.639,80 0.804,81 1.196,82 32.709,83 9.406,84 94.173,85 13.052,86 0.747,87 0.965,88 26.334,89 7.404,90 97.01,91 11.102,92 0.397,93 0.739,94 17.869,95 5.728,96 50.967,97 7.962,98 0.346,99 0.651,100 16.707,101 5.293,102 41.643,103 7.542,104 27,105 35,106 0.28,107 0.586,108 0.728,109 0.81,110 0.827,111 0.827,112 3.148,113 0.935,114 -2.62,115 -2.64,116 -2.57,119 38.1,120 2,125 5,135 1,137 1,138 2,139 1,140 3,151 1,163 2,165 1,166 4,171 4,172 4,175 3,176 4,181 1,183 2,187 5,190 2,191 1,192 3,194 2,198 4,201 1,203 1,208 2,209 3,212 2,214 1,224 1,227 1,231 4,234 1,238 2,252 592,253 14.593,254 14.593,255 14.593,256 14.593,257 14.593,258 13.398,259 22.404,260 8.293,261 15.017,262 11.74,263 11.74,264 11.74,265 11.74,266 11.74,267 9.855,268 31.563,269 3.825,270 12.394,271 3.82,272 2.104,273 1.303,274 0.845,275 0.75,276 0.75,277 3.822,281 1,282 1,283 1,284 418,285 2.345,288 167.229,292 90.318,295 1.322,296 30.434,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 49,308 197,309 4.651,310 3.81,311 6.993,312 4.277,313 3.308,314 4.295,315 1.674,316 11.82,317 3.204,318 4.134,319 3.173,320 6.382,321 3.784,322 2.831,323 3.591,324 0.8,325 9.647,326 2.696,327 3.559,328 3.009,329 5.373,330 3.407,331 2.474,332 2.788,333 0.8,334 6.938,335 2.301,336 3.498,337 2.702,338 5.295,339 3.138,340 2.18,341 2.636,343 6.454,344 2.077,345 3.335,346 2.44,347 5.101,348 3.004,349 2.087,350 2.484,352 6.076,353 1.901,354 3.065,355 2.285,356 4.869,357 2.692,358 1.73,359 2.156,361 5.143,362 1.648,363 2.858,364 2.017,365 4.657,366 2.56,367 1.611,368 1.861,370 4.451,371 1.516,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.666,382 1.03,383 3.373,384 1.559,385 0.589,386 0.603,388 1.088,389 0.568,390 1.427,391 0.706,392 3.058,393 1.123,394 0.153,395 0.176,397 0.336,398 0.146,399 1.163,400 0.423,401 2.754,402 0.898,403 -0.049,404 -0.056,406 -0.13,407 -0.046,408 1,409 0.228,410 2.618,411 0.67,412 -0.293,413 -0.368,415 -0.731,416 -0.278,417 0.702,418 -0.07,419 2.281,420 0.326,421 -0.575,422 -0.654,424 -1.335,425 -0.506,426 0.392,427 -0.357,428 2.05,429 0.294,430 -0.7,431 -0.772,433 -1.476,434 -0.689,435 0.19,436 -0.584,437 2,438 -0.1,439 -1,440 -1,442 -2.944,443 -0.9,444 10.133,445 0.461,446 0.665,447 0.03,448 25.25,449 1.148,450 10.5,451 0.477,452 14.75,453 0.67,454 19.374,455 0.881,456 25.267,457 0.602,458 18.79,459 0.854,460 5.007,461 0.228,462 5.5,463 0.25,464 0.197,466 0.424,472 0.9,473 1.497,474 0.827,475 1.212,476 0.801,477 1.034,478 0.769,479 1.102,480 0.77,481 0.917,482 0.457,483 0.824,484 0.894,485 0.93,486 0.92,487 0.963,488 0.758,489 0.934,490 0.592,491 1.269,492 0.868,493 1.305,494 0.582,495 1.173,496 1.47,497 0.974,498 1.202,499 0.967,500 1.496,501 1.028,502 0.825,503 0.793,504 0.862,505 0.798,506 0.811,507 0.829,508 1.161,509 1.026,510 1.201,511 1.076,512 1.413,513 1.143,514 1.028,515 1.093,516 1.135,517 1.144,518 1.099,519 1.172,520 5,521 0.049,522 2.667,523 2.563,524 1.902,525 1.076,526 0.544,527 0.24,528 0.209,529 0.076,530 4364,531 11765,532 2.017,533 47.6,534 3,535 12,538 2,540 3,542 1.649,543 1.833,544 3.073,545 0.348,546 1,547 1,548 1,550 66.039,551 1.572,552 3.288,553 4.089,554 4.547,555 4.642,556 4.642,557 2.629,558 3.88,559 4.427,560 3.193,561 737.683,562 7.626,563 7710.21,564 1,565 1,567 1,568 226.477,569 1.544,570 4.36,571 0.208,572 0.01,573 0.076,574 0.066,575 0.051,576 0.04,577 0.024,578 0.014,579 0.016,580 0.009,581 0.515,582 0.5,583 1,584 0.891,585 98.973,586 -0.098,587 -0.236,588 0.033,589 -0.054,590 -0.095,591 0.003,592 0.029,593 0.085,594 0.147,595 0.106,596 0.126,597 0.16,598 -0.02,599 0.195,600 0.011,601 0.057,602 -0.017,603 0.05,604 0.237,605 -0.244,606 0.057,607 -0.253,608 0.227,609 -0.152,610 -0.224,611 -0.079,612 -0.173,613 -0.034,614 -0.222,615 -0.089,616 0.171,617 0.106,618 0.153,619 0.111,620 0.235,621 0.126,622 -0.146,623 -0.052,624 -0.228,625 -0.093,626 -0.224,627 -0.17,628 -0.068,629 -0.173,630 -0.156,631 -0.175,632 -0.106,633 -0.191,634 2.097,635 5.342,636 0.727,637 15.636,638 1.011,639 1.133,640 1.39,641 1.933,642 0.635,643 3.219,644 3.584,645 3.892,646 4.205,647 4.419,648 4.564,649 4.595,650 4.718,651 4.673,652 4.663,653 5.015,654 0.611,655 304.38,656 3.219,657 4.779,658 5.652,659 6.561,660 7.451,661 8.367,662 9.263,663 10.184,664 11.084,665 12.006,666 4.8,669 2,681 2,686 4,688 6,700 2,703 42,705 8,706 1,707 24,709 44,710 16,711 6,712 4,713 2,714 3,717 3,718 4,721 2,729 9,730 7,733 2,737 1,741 3,743 1,744 1,747 20,748 6,749 2,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 2,805 22,809 2,810 5,812 1,815 2,825 9.5,827 2,828 1,830 1,832 12,833 8.05,834 4.833,835 2.671,836 1.711,837 1.245,838 0.918,839 4.123,840 8.683,841 3.401,842 3.98,843 4.525,844 5.085,845 5.548,846 5.9,847 6.062,848 6.434,849 6.546,850 6.565,851 1,852 39,853 8.199,854 3.571,855 7.939,856 15.476,857 12.837,859 2.439,860 53.667,864 211.88,865 68.694,866 6.249,868 121.512,871 68.694,872 333.391,873 6.249,874 17.65,875 10.529,876 18.952,877 120.46,878 28.863,880 211.88,882 211.88,883 74.943,884 121.512,887 176.567,888 156.825,891 34.428,892 37.758,893 2.757,895 211.88,896 127.76,897 68.694,900 211.88,901 32.091,902 42.852,904 121.512,905 211.88,906 127.76,907 68.694,909 0.592,910 0.36,911 0.203,912 0.105,913 18,914 9,915 0.045,916 2,917 1,918 1.125,919 3.256,920 179.908,921 0.125,922 16,923 94.107,928 15.342,929 5.912,930 2.75,932 127.76,933 2.608,938 0.475,940 85.367,941 408.334,942 29,946 12.342,950 0.762,952 42.465,953 47.571,954 0.292,955 0.61,956 0.758,957 0.843,958 0.861,959 0.861,960 4.687,961 1,962 5.673,963 4.451,964 4.263,965 4.663,966 2.143,967 6.547,968 4.161,969 5.901,970 0.589,971 7.276,972 2.275,973 4.007,974 4.635,975 0.57,976 7.576,977 3.857,978 7.232,979 0.153,980 8.977,981 1.088,982 5.916,983 6.824,984 2.87,985 10.717,986 5.728,987 8.595,988 -0.049,989 10.735,990 0.336,991 6.431,992 7.572,993 0.479,994 12.568,995 6.21,996 9.991,997 -0.293,998 12.531,999 -0.13,1000 7.864,1001 9.315,1002 3.82,1003 15.263,1004 7.608,1005 11.41,1006 -0.575,1007 14.354,1008 -0.731,1009 8.74,1010 10.426,1011 0.346,1012 17.467,1013 8.458,1014 12.849,1015 -0.7,1016 16.198,1017 -1.335,1018 9.999,1019 11.998,1020 4.828,1021 20.008,1022 9.685,1023 3.308,1024 -1,1025 18.059,1026 -1.476,1027 11.042,1028 13.283,1029 0.237,1030 22.361,1031 10.704,1032 2.831,1033 11.82,1034 19.933,1035 -2.944,1036 12.241,1037 14.784,1038 5.851,1039 24.847,1040 11.874,1041 2.474,1042 9.647,1043 21.819,1044 4.295,1045 13.36,1046 16.153,1047 0.158,1048 27.263,1049 12.968,1050 2.18,1051 6.938,1052 23.714,1053 3.591,1054 14.542,1055 17.624,1056 6.88,1057 29.731,1058 14.121,1059 2.087,1060 6.454,1061 25.617,1062 2.788,1063 15.697,1064 19.034,1065 0.104,1066 32.174,1067 15.249,1068 1.73,1069 6.076,1070 27.525,1071 2.636,1072 16.877,1073 20.493,1074 7.91,1075 34.638,1076 16.4,1077 1.611,1078 5.143,1079 29.439,1080 2.484,1081 18.049,1082 21.924,1083 0.068,1084 37.092,1085 17.543,1086 4354,1087 7310,1088 15.433,1089 26.682,1090 36.222,1091 37.303,1092 38.696,1093 36.025,1094 35.924,1095 43.18,1096 6.549,1097 108.456,1098 34.045,1099 5.651,1100 5.81,1101 6.543,1102 5.369,1103 5.308,1104 7.295,1105 3.349,1106 19.407,1107 5.204,1108 12.622,1109 1.509,1110 1.554,1111 1.612,1112 1.501,1113 1.497,1114 1.799,1115 0.273,1116 4.519,1117 1.419,1118 4.025,1119 4.043,1120 3.992,1121 3.923,1122 7.433,1123 3.937,1124 3.816,1125 3.876,1126 3.715,1127 3.636,1128 6.493,1129 3.647,1130 3.548,1131 3.589,1132 3.47,1133 3.399,1134 6.446,1135 3.406,1136 3.34,1137 3.42,1138 3.138,1139 3.16,1140 4.702,1141 3.138,1142 3.156,1143 3.206,1144 3.056,1145 2.941,1146 4.38,1147 2.92,1148 3.111,1149 3.178,1150 2.866,1151 2.88,1152 4.104,1153 2.91,1154 2.931,1155 2.966,1156 2.788,1157 2.683,1158 3.957,1159 2.692,1160 2.823,1161 2.904,1162 2.707,1163 2.585,1164 3.888,1165 2.609,1166 0.194,1167 0.159,1168 0.291,1169 0.178,1170 0.138,1171 4.651,1172 0.179,1173 3.81,1174 0.07,1175 6.993,1176 0.493,1177 4.277,1178 0.133,1179 3.308,1180 4.295,1181 1.674,1182 11.82,1183 3.204,1184 1.95,1185 1.94,1186 2.038,1187 2.083,1188 1.323,1189 2.069,1190 1.771,1191 1.706,1192 1.954,1193 1.969,1194 1.14,1195 1.967,1196 1.511,1197 1.467,1198 1.753,1199 1.701,1200 0.934,1201 1.715,1202 1.358,1203 1.277,1204 1.657,1205 1.571,1206 0.825,1207 1.603,1208 1.153,1209 1.064,1210 1.513,1211 1.376,1212 0.761,1213 1.429,1214 1.037,1215 1.007,1216 1.267,1217 1.356,1218 0.386,1219 1.325,1220 0.845,1221 0.801,1222 1.1,1223 1.158,1224 0.189,1225 1.126,1226 0.74,1227 0.677,1228 1.056,1229 1.086,1230 0.092,1231 1.081,1232 3.892,1233 5.242,1235 6.804,1237 8.469,1239 10.19,1241 3.924,1246 19.607,1247 4.302,1249 5.311,1252 4.336,1257 25.643,1258 66.039,1259 138.113,1260 171.748,1261 190.968,1262 194.968,1263 194.968,1264 45.253,1265 6.973,1266 77.15,1267 77.15,1268 18,1269 12.517,1270 3.17,1271 2.585,1272 34.35,1273 65,1274 80,1275 0.269,1276 157.004,1277 281.34,1278 374.85,1279 8458,1281 15.853,1282 0.721,1283 0.582,1284 15.853,1285 12.796,1286 10.507,1287 0.438,1288 0.312,1289 7.344,1290 9.974,1291 7.144,1292 5.889,1293 10.507,1294 7.476,1295 9.73,1296 0.278,1297 0.161,1298 9.73,1299 5.622,1300 8.24,1301 0.172,1302 0.09,1303 8.24,1304 4.328,1305 7.512,1306 0.114,1307 0.047,1308 7.512,1309 3.118,1310 5.394,1311 0.066,1312 0.024,1313 5.394,1314 1.987,1315 0.406,1316 66.779,1317 0.255,1318 21.185,1319 0.79,1320 118,1321 371.061,1322 133.235,1323 348.57,1324 470.36,1325 324,1326 142,1327 345.899,1328 157.628,1329 344.558,1330 511.39,1331 324,1332 6.883}
{0 CHEMBL600197,1 1.784,2 11.7,3 4.154,4 17.257,5 105.435,6 8.58,7 0.364,8 4.034,9 4.125,10 3.69,11 3.52,12 5.265,13 3.553,14 4.594,15 4.738,16 4.174,17 3.923,18 6.226,19 3.954,20 4.833,21 4.995,22 4.231,23 4.122,24 6.079,25 4.122,26 4.981,27 5.159,28 4.255,29 4.157,30 6.323,31 4.142,32 5.054,33 5.247,34 4.096,35 4.1,36 6.301,37 4.058,38 4.953,39 5.194,40 3.947,41 3.95,42 6.189,43 3.886,44 4.789,45 5.022,46 3.745,47 3.744,48 6.051,49 3.711,50 4.573,51 4.811,52 3.61,53 3.559,54 5.886,55 3.532,56 0.279,57 0.902,58 7.789,59 4.709,60 43.879,61 4.846,62 1.07,63 1.802,64 17.591,65 7.523,66 156.008,67 8.346,68 0.829,69 1.725,70 22.64,71 9.957,72 80.34,73 11.403,74 1.207,75 1.913,76 28.839,77 12.048,78 153.436,79 13.895,80 1.574,81 1.791,82 34.839,83 11.976,84 186.746,85 13.915,86 1.348,87 1.615,88 34.548,89 11.194,90 197.533,91 14.646,92 1.345,93 1.576,94 30.152,95 9.354,96 209.778,97 10.294,98 1.176,99 1.244,100 24.833,101 7.424,102 150.651,103 8.527,104 51,105 50,106 0.302,107 0.631,108 0.733,109 0.807,110 0.849,111 0.849,112 3.441,113 0.847,114 -3.87,115 -3.83,116 -3.63,119 42.9,120 1,125 4,131 1,135 1,137 1,138 6,139 2,140 4,151 1,163 6,165 1,166 5,171 4,172 8,175 3,176 6,181 1,183 4,187 6,190 2,191 1,192 3,194 2,198 5,201 1,203 1,208 2,209 5,212 2,214 1,221 1,224 1,227 2,231 6,234 1,238 6,242 4,249 5,252 1372,253 19.419,254 19.419,255 19.419,256 19.419,257 19.419,258 17.563,259 28.439,260 10.911,261 20.052,262 16.258,263 16.258,264 16.258,265 16.258,266 16.258,267 13.351,268 41.902,269 5.141,270 17.383,271 3.831,272 1.889,273 1.286,274 0.847,275 0.602,276 0.602,277 4.129,282 1,283 1,284 755,285 3.391,288 352.193,292 139.091,295 1.853,296 60.243,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 69.5,308 351,309 4.651,310 4.461,311 7.118,312 4.278,313 3.326,314 4.295,315 3.825,316 11.821,317 3.204,318 4.463,319 3.81,320 6.993,321 4.188,322 3.307,323 3.89,324 1.674,325 11.701,326 2.923,327 4.138,328 3.174,329 6.385,330 3.817,331 2.879,332 3.591,333 0.8,334 9.662,335 2.702,336 3.973,337 3.141,338 6.133,339 3.678,340 2.734,341 3.207,342 0.8,343 9.019,344 2.537,345 3.509,346 2.865,347 5.295,348 3.155,349 2.2,350 2.785,352 6.454,353 2.093,354 3.416,355 2.471,356 5.17,357 3.099,358 2.161,359 2.613,361 6.231,362 2.004,363 3.221,364 2.296,365 4.939,366 2.858,367 1.92,368 2.361,370 5.504,371 1.781,372 3.062,373 2.171,374 4.723,375 2.659,376 1.706,377 2.166,379 4.995,380 1.601,381 2.921,382 2.005,383 4.657,384 2.561,385 1.612,386 1.975,388 4.459,389 1.511,390 2.58,391 1.475,392 4.2,393 2.169,394 1.223,395 1.611,397 3.516,398 1.141,399 2.443,400 1.146,401 3.483,402 2.065,403 1.08,404 1.425,406 2.491,407 1.059,408 2,409 1.145,410 3.414,411 1.967,412 1,413 1,415 2.275,416 0.965,417 1.548,418 0.96,419 3.341,420 1.206,421 0.235,422 0.273,424 0.654,425 0.224,426 1.183,427 0.512,428 3.056,429 0.909,430 -0.042,431 -0.049,433 -0.113,434 -0.039,435 1.047,436 0.51,437 2.749,438 0.687,439 -0.269,440 -0.335,442 -0.703,443 -0.254,444 13.49,445 0.45,446 1.111,447 0.037,448 37,449 1.233,450 17,451 0.567,452 20,453 0.667,454 26.502,455 0.883,456 33.91,457 0.692,458 32.608,459 1.087,460 7.566,461 0.252,462 6.58,463 0.219,464 0.175,465 0.037,466 0.393,469 3,472 0.704,473 1.026,474 0.656,475 1.068,476 0.671,477 0.912,478 0.525,479 0.769,480 0.643,481 0.901,482 0.369,483 0.833,484 0.685,485 0.84,486 0.828,487 1.026,488 0.564,489 0.999,490 0.764,491 1.021,492 0.939,493 1.217,494 0.741,495 1.176,496 0.999,497 0.76,498 1.191,499 1.041,500 0.966,501 1.179,502 0.702,503 0.823,504 0.904,505 0.963,506 0.688,507 1.015,508 1.338,509 1.077,510 1.286,511 0.913,512 1.429,513 1.017,514 1.215,515 0.802,516 1.174,517 0.763,518 1.329,519 0.882,520 8,521 0.272,522 4.222,523 3.313,524 2.302,525 1.674,526 0.806,527 0.399,528 0.361,529 0.28,530 11583,531 43965,532 2.02,533 38.8,534 3,535 14,538 2,542 1.726,543 1.827,544 3.468,545 0.276,547 1,550 87.417,551 1.784,552 3.725,553 4.329,554 4.768,555 5.012,556 5.012,557 2.966,558 4.348,559 4.879,560 3.674,561 1598.31,562 8.498,563 21891.5,565 1,567 1,568 275.121,569 1.715,570 4.797,571 0.242,572 0.01,573 0.084,574 0.061,575 0.044,576 0.04,577 0.022,578 0.014,579 0.014,580 0.011,581 0.544,582 0.5,583 1,584 0.817,585 153.809,586 -0.083,587 -0.096,588 0.008,589 -0.01,590 -0.104,591 0.025,592 0.266,593 0.258,594 0.163,595 0.097,596 0.359,597 0.095,598 -0.031,599 -0.026,600 -0.018,601 -0.048,602 0.011,603 -0.03,604 0.03,605 -0.132,606 -0.043,607 -0.216,608 0.028,609 -0.174,610 -0.118,611 -0.022,612 -0.223,613 -0.099,614 -0.139,615 -0.195,616 0.064,617 -0.099,618 0.122,619 -0.025,620 0.067,621 0.042,622 -0.239,623 -0.012,624 -0.197,625 0.048,626 -0.264,627 -0.018,628 -0.107,629 0.293,630 -0.078,631 0.2,632 -0.2,633 0.119,634 5.657,635 5.572,636 0.733,637 28.382,638 1.039,639 1.143,640 2.641,641 6.974,642 0.658,643 3.526,644 3.932,645 4.205,646 4.5,647 4.736,648 4.875,649 4.97,650 5.112,651 5.187,652 5.308,653 6.913,654 0.66,655 420.42,656 3.526,657 5.118,658 5.989,659 6.907,660 7.794,661 8.712,662 9.604,663 10.523,664 11.419,665 12.337,666 4.1,669 1,672 1,681 6,686 6,688 12,699 1,700 2,703 49,705 14,706 2,707 33,709 52,710 21,711 12,712 6,713 6,714 3,717 4,718 5,721 2,726 1,729 15,730 6,733 2,737 1,741 3,744 1,745 3,747 19,748 9,749 2,750 9,755 2,760 0.75,761 4,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 1,803 3,805 30,809 2,810 4,812 1,815 2,816 1,824 3,825 8.2,827 2,828 1,830 1,832 16.417,833 9.062,834 6.278,835 2.846,836 2.701,837 1.339,838 0.957,839 5.264,840 10.675,841 3.738,842 4.357,843 4.902,844 5.456,845 5.942,846 6.214,847 6.424,848 6.719,849 6.906,850 7.105,851 0.875,852 54,853 11.616,854 5.61,855 8.392,856 20.285,857 17.062,859 2.892,860 86.75,862 1,863 1,864 200.109,865 109.37,866 6.249,868 121.512,869 44.88,871 109.37,872 321.62,873 51.129,874 8.825,875 8.423,876 56.857,877 120.46,878 79.686,880 200.109,881 7.76,882 200.109,883 115.619,884 166.392,887 200.109,888 166.392,891 28.132,892 84.73,893 2.757,895 244.989,896 127.76,897 109.37,900 207.868,901 35.928,902 71.931,904 166.392,905 200.109,906 172.64,907 109.37,909 0.608,910 0.353,911 0.19,912 0.101,913 26,914 13,915 0.038,916 2,917 1,918 1.091,919 3.951,920 278.651,921 0.091,922 22,923 138.452,928 20.729,929 7.619,930 3.94,932 172.64,933 7.6,938 -0.226,940 85.367,941 482.119,942 41,946 12.572,950 0.218,952 50.887,953 56.005,954 0.318,955 0.663,956 0.771,957 0.849,958 0.893,959 0.893,960 5.043,961 1.706,962 6.047,963 5.504,964 4.615,965 5.043,966 3.345,967 6.948,968 4.489,969 6.289,970 1.612,971 7.675,972 4.995,973 4.511,974 5.037,975 3.919,976 8.15,977 4.243,978 7.637,979 1.223,980 9.407,981 4.459,982 6.344,983 7.229,984 5.491,985 11.21,986 6.084,987 9.015,988 1.08,989 11.201,990 3.516,991 6.986,992 7.953,993 6.69,994 13.178,995 6.589,996 10.422,997 1,998 13.034,999 2.491,1000 8.387,1001 9.713,1002 8.072,1003 15.827,1004 7.978,1005 11.85,1006 0.235,1007 14.892,1008 2.275,1009 9.344,1010 10.778,1011 9.389,1012 18.088,1013 8.823,1014 13.295,1015 -0.042,1016 16.77,1017 0.654,1018 10.597,1019 12.358,1020 10.737,1021 20.606,1022 10.042,1023 3.326,1024 -0.269,1025 18.662,1026 -0.113,1027 11.686,1028 13.597,1029 12.074,1030 22.982,1031 11.043,1032 3.307,1033 11.821,1034 20.565,1035 -0.703,1036 12.889,1037 15.097,1038 13.417,1039 25.457,1040 12.199,1041 2.879,1042 11.701,1043 22.477,1044 4.295,1045 14.034,1046 16.426,1047 14.758,1048 27.881,1049 13.271,1050 2.734,1051 9.662,1052 24.395,1053 3.89,1054 15.223,1055 17.889,1056 16.1,1057 30.343,1058 14.408,1059 2.2,1060 9.019,1061 26.32,1062 3.591,1063 16.393,1064 19.268,1065 17.441,1066 32.788,1067 15.515,1068 2.161,1069 6.454,1070 28.248,1071 3.207,1072 17.58,1073 20.716,1074 18.783,1075 35.247,1076 16.649,1077 1.92,1078 6.231,1079 30.18,1080 2.785,1081 18.761,1082 22.123,1083 20.124,1084 37.701,1085 17.773,1086 11141,1087 21868,1088 21.096,1089 32.256,1090 51.548,1091 51.599,1092 52.964,1093 51.053,1094 50.761,1095 62.383,1096 14.199,1097 157.566,1098 47.486,1099 5.651,1100 6.461,1101 6.66,1102 5.37,1103 5.326,1104 7.295,1105 5.5,1106 19.408,1107 5.204,1108 19.023,1109 1.562,1110 1.564,1111 1.605,1112 1.547,1113 1.538,1114 1.89,1115 0.43,1116 4.775,1117 1.439,1118 4.039,1119 4.065,1120 4.003,1121 3.934,1122 8.513,1123 3.947,1124 3.945,1125 3.966,1126 3.907,1127 3.86,1128 7.999,1129 3.865,1130 3.739,1131 3.791,1132 3.662,1133 3.578,1134 7.999,1135 3.589,1136 3.497,1137 3.528,1138 3.442,1139 3.347,1140 7.433,1141 3.354,1142 3.3,1143 3.348,1144 3.285,1145 3.007,1146 6.493,1147 3.058,1148 3.157,1149 3.206,1150 3.058,1151 2.941,1152 6.446,1153 2.922,1154 3.111,1155 3.183,1156 2.866,1157 2.884,1158 4.729,1159 2.91,1160 2.95,1161 3.021,1162 2.835,1163 2.76,1164 4.682,1165 2.764,1166 0.141,1167 0.135,1168 0.216,1169 0.13,1170 0.101,1171 4.651,1172 0.13,1173 4.461,1174 0.116,1175 7.118,1176 0.358,1177 4.278,1178 0.097,1179 3.326,1180 4.295,1181 3.825,1182 11.821,1183 3.204,1184 1.958,1185 1.943,1186 2.056,1187 2.094,1188 1.317,1189 2.082,1190 1.914,1191 1.89,1192 1.994,1193 2.022,1194 1.144,1195 2.011,1196 1.698,1197 1.645,1198 1.873,1199 1.877,1200 1.053,1201 1.876,1202 1.454,1203 1.416,1204 1.666,1205 1.631,1206 0.825,1207 1.635,1208 1.153,1209 1.064,1210 1.513,1211 1.43,1212 0.767,1213 1.429,1214 1.099,1215 1.059,1216 1.28,1217 1.376,1218 0.42,1219 1.355,1220 1.04,1221 1.008,1222 1.205,1223 1.357,1224 0.264,1225 1.313,1226 0.902,1227 0.843,1228 1.13,1229 1.167,1230 0.203,1231 1.153,1232 4.205,1233 5.587,1235 7.163,1237 8.829,1239 10.541,1241 1.685,1243 38.954,1246 19.798,1247 1.623,1249 5.297,1252 3.635,1253 -4.407,1257 32.32,1258 87.417,1259 182.538,1260 212.101,1261 233.611,1262 245.611,1263 245.611,1264 80.723,1265 7.974,1266 77.15,1267 77.15,1268 24,1269 12.851,1270 3.907,1271 3.17,1272 47.221,1273 126,1274 110,1275 0.187,1276 192.385,1277 354.87,1278 461.179,1279 32569,1280 6.1,1281 21.629,1282 0.721,1283 0.534,1284 19.129,1285 16.032,1286 14.147,1287 0.429,1288 0.282,1289 9.109,1290 13.33,1291 8.97,1292 7.311,1293 12.936,1294 9.315,1295 14.205,1296 0.284,1297 0.144,1298 12.247,1299 7.223,1300 11.194,1301 0.17,1302 0.081,1303 10.231,1304 5.327,1305 9.974,1306 0.112,1307 0.044,1308 9.441,1309 3.897,1310 7.59,1311 0.067,1312 0.023,1313 7.044,1314 2.606,1315 0.294,1316 90.83,1317 0.218,1318 28.177,1319 0.51,1320 166,1321 711.394,1322 198.586,1323 596.058,1324 776.76,1325 550,1326 199,1327 548.603,1328 225.604,1329 530.729,1330 803.56,1331 498,1332 4.821}
{0 CHEMBL600409,1 1.486,2 8.864,3 2.237,4 5.003,5 90.004,6 6.698,7 0.25,8 3.894,9 4.026,10 3.382,11 3.358,12 4.892,13 3.333,14 4.479,15 4.7,16 3.753,17 3.758,18 5.427,19 3.724,20 4.674,21 4.867,22 3.869,23 3.998,24 5.622,25 3.921,26 4.874,27 5.115,28 3.815,29 4.042,30 5.778,31 3.921,32 4.891,33 5.143,34 3.665,35 3.896,36 5.849,37 3.783,38 4.643,39 4.883,40 3.465,41 3.691,42 5.606,43 3.577,44 4.402,45 4.65,46 3.266,47 3.573,48 5.323,49 3.433,50 4.372,51 4.618,52 2.842,53 3.373,54 5.311,55 3.185,56 0.017,57 0.663,58 10.616,59 3.966,60 6.424,61 5.801,62 0.323,63 1.058,64 20.479,65 5.91,66 24.473,67 9.311,68 0.291,69 1.282,70 24.303,71 8.83,72 19.495,73 12.724,74 0.227,75 1.381,76 30.063,77 10.978,78 30.03,79 15.918,80 0.452,81 1.245,82 32.037,83 9.83,84 57.073,85 14.202,86 0.532,87 0.999,88 25.055,89 7.623,90 46.079,91 11.046,92 0.161,93 0.875,94 18.691,95 6.673,96 23.486,97 9.817,98 0.272,99 0.761,100 18.787,101 5.863,102 42.287,103 8.677,104 27,105 35,106 0.261,107 0.532,108 0.698,109 0.78,110 0.78,111 0.78,112 3.148,113 0.957,114 -3.37,115 -3.35,116 -3.21,119 37.8,120 1,124 3,125 4,135 1,137 1,138 3,139 1,140 2,151 1,163 4,165 1,166 5,172 5,175 3,176 6,183 4,186 1,187 7,194 2,198 5,208 3,209 4,220 1,221 1,231 2,252 548,253 14.43,254 14.43,255 14.43,256 14.43,257 14.43,258 13.365,259 23.025,260 8.218,261 14.853,262 11.79,263 11.79,264 11.79,265 11.79,266 11.79,267 10.032,268 34.164,269 3.865,270 12.44,271 4.006,272 2.46,273 1.512,274 1.045,275 1.045,276 1.045,277 3.822,281 1,282 1,283 1,284 414,285 2.646,288 168.314,292 90.181,295 1.603,296 16.491,297 1,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 47.5,308 195,309 4.6,310 3.802,311 6.903,312 4.232,313 3.263,314 4.194,315 1.674,316 11.493,317 3.161,318 4.114,319 3.087,320 6.223,321 3.775,322 2.821,323 3.572,324 0.8,325 9.207,326 2.691,327 3.689,328 2.996,329 5.856,330 3.477,331 2.541,332 2.919,333 0.8,334 7.91,335 2.38,336 3.443,337 2.803,338 5.196,339 3.248,340 2.302,341 2.518,342 0.8,343 6.332,344 2.17,345 3.322,346 2.587,347 5.157,348 2.969,349 2.026,350 2.415,352 5.957,353 1.884,354 2.875,355 2.156,356 4.807,357 2.67,358 1.731,359 1.894,361 5.073,362 1.614,363 2.661,364 1.54,365 3.911,366 2.248,367 1.279,368 1.68,370 3.019,371 1.235,372 2.365,373 1.257,374 3.803,375 1.999,376 1.02,377 1.311,379 2.68,380 0.994,381 2,382 1.146,383 3.414,384 1.967,385 1,386 1,388 2.275,389 0.965,390 1.432,391 0.829,392 3.222,393 1.196,394 0.224,395 0.239,397 0.56,398 0.215,399 1.181,400 0.539,401 2.802,402 0.854,403 -0.108,404 -0.136,406 -0.28,407 -0.103,408 0.777,409 -0.086,410 2.349,411 0.552,412 -0.405,413 -0.439,415 -0.976,416 -0.385,417 0.651,418 -0.226,419 2.297,420 0.351,421 -0.643,422 -0.811,424 -1.625,425 -0.633,426 0.471,427 -0.59,428 2,429 -0.003,430 -1,431 -1,433 -2,434 -0.9,436 -0.6,437 1.872,438 -0.1,439 -1,440 -1,442 -2.893,443 -0.9,444 10.367,445 0.471,446 0.703,447 0.032,448 25,449 1.136,450 10,451 0.455,452 15,453 0.682,454 19.525,455 0.887,456 25.033,457 0.556,458 18.359,459 0.834,460 5.105,461 0.232,462 5.364,463 0.244,464 0.225,466 0.405,472 0.801,473 1.712,474 0.862,475 1.346,476 0.593,477 1.143,478 1.055,479 0.855,480 0.835,481 0.668,482 0.465,483 0.676,484 0.841,485 1.085,486 1.037,487 1.138,488 0.669,489 1.112,490 0.757,491 1.155,492 0.93,493 1.214,494 0.803,495 1.118,496 1.706,497 0.95,498 1.09,499 0.949,500 1.978,501 0.952,502 1.639,503 0.886,504 1.152,505 0.883,506 1.758,507 0.964,508 0.765,509 1.099,510 1.06,511 1.207,512 0.908,513 1.178,514 1.633,515 1.297,516 1.466,517 1.29,518 2.499,519 1.371,520 5,521 0.058,522 3.111,523 2.125,524 1.871,525 0.91,526 0.666,527 0.217,528 0.201,529 0.08,530 4468,531 9743,532 2.017,533 51.1,534 3,535 20,542 1.647,543 1.833,544 3.105,545 -0.762,546 1,547 1,548 1,550 66.85,551 1.486,552 3.032,553 3.98,554 4.447,555 4.447,556 4.447,557 2.738,558 3.88,559 4.426,560 3.24,561 748.423,562 7.618,563 7868.9,565 1,567 1,568 247.133,569 1.544,570 4.36,571 0.208,572 0.01,573 0.089,574 0.056,575 0.055,576 0.032,577 0.029,578 0.011,579 0.02,580 0.009,581 0.52,582 0.67,583 1,584 0.891,585 99.426,586 0.015,587 -0.422,588 0.087,589 -0.189,590 -0.027,591 -0.066,592 0.021,593 0.317,594 0.174,595 0.302,596 0.172,597 0.284,598 0.065,599 0.076,600 -0.075,601 -0.064,602 0.035,603 -0.084,604 0.084,605 -0.164,606 0.02,607 -0.172,608 0.068,609 -0.095,610 -0.197,611 -0.06,612 -0.054,613 0.002,614 -0.191,615 -0.008,616 -0.067,617 0.037,618 -0.107,619 0.069,620 -0.135,621 -0.025,622 0.001,623 -0.079,624 -0.115,625 -0.185,626 0.071,627 -0.167,628 -0.304,629 -0.376,630 -0.46,631 -0.325,632 -0.444,633 -0.418,634 1.898,635 5.48,636 0.727,637 16.793,638 0.995,639 1.135,640 2.138,641 4.569,642 0.634,643 3.219,644 3.584,645 3.871,646 4.143,647 4.407,648 4.522,649 4.644,650 4.682,651 4.771,652 4.605,653 5.151,654 0.595,655 301.43,656 3.219,657 4.779,658 5.645,659 6.544,660 7.431,661 8.335,662 9.23,663 10.138,664 11.038,665 11.947,666 6.7,669 2,672 1,681 3,686 3,688 6,699 1,703 45,705 8,706 1,707 24,709 47,710 17,711 6,712 3,713 3,714 3,717 3,718 4,721 1,729 9,730 8,733 2,737 1,741 3,743 1,744 1,747 23,748 5,750 5,755 3,760 0.667,761 2,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 4,805 22,810 4,812 1,815 3,825 4.4,828 1,830 1,832 12,833 9.433,834 4.75,835 2.669,836 1.696,837 1.244,838 0.961,839 4.149,840 8.658,841 3.401,842 3.961,843 4.503,844 5.03,845 5.539,846 5.864,847 6.189,848 6.444,849 6.692,850 6.493,851 1,852 38,853 8.168,854 3.414,855 7.614,856 15.897,857 12.998,859 2.114,860 46.5,861 0.001,864 270.735,865 95.185,866 9.373,868 36.145,871 95.185,872 306.88,873 9.373,874 34.014,875 8.423,876 28.429,877 35.093,878 34.744,880 270.735,882 270.735,883 104.558,884 36.145,887 270.735,888 36.145,891 23.497,892 78.305,893 2.757,895 270.735,896 45.518,897 95.185,900 270.735,901 32.742,902 71.816,904 36.145,905 270.735,906 45.518,907 95.185,909 0.597,910 0.352,911 0.185,912 0.105,913 18,914 9,915 0.043,916 2,917 1,918 1.125,919 3.281,920 178.285,921 0.125,922 16,923 92.107,928 15.379,929 5.935,930 2.886,932 45.518,933 6.031,938 2.702,941 411.438,942 29,946 12.48,950 1.504,952 44.796,953 51.066,954 0.271,955 0.552,956 0.725,957 0.81,958 0.81,959 0.81,960 4.687,961 1.02,962 5.666,963 3.019,964 4.263,965 4.644,966 2.25,967 6.524,968 4.165,969 5.892,970 1,971 7.263,972 2.68,973 4.007,974 4.559,975 0.766,976 7.529,977 3.86,978 7.213,979 0.224,980 8.959,981 2.275,982 5.905,983 6.769,984 2.896,985 10.644,986 5.721,987 8.567,988 -0.108,989 10.71,990 0.56,991 6.415,992 7.468,993 0.653,994 12.457,995 6.194,996 9.953,997 -0.405,998 12.498,999 -0.28,1000 7.841,1001 9.225,1002 3.826,1003 15.122,1004 7.586,1005 11.364,1006 -0.643,1007 14.31,1008 -0.976,1009 8.698,1010 10.286,1011 0.482,1012 17.282,1013 8.415,1014 12.793,1015 -1,1016 16.142,1017 -1.625,1018 9.948,1019 11.859,1020 4.829,1021 19.794,1022 9.633,1023 3.263,1024 -1,1025 17.989,1026 -2,1027 10.969,1028 13.099,1029 0.337,1030 22.107,1031 10.628,1032 2.821,1033 11.493,1034 19.847,1035 -2.893,1036 12.155,1037 14.59,1038 5.851,1039 24.566,1040 11.784,1041 2.541,1042 9.207,1043 21.716,1044 4.194,1045 13.253,1046 15.919,1047 0.229,1048 26.946,1049 12.856,1050 2.302,1051 7.91,1052 23.593,1053 3.572,1054 14.419,1055 17.374,1056 6.88,1057 29.388,1058 13.994,1059 2.026,1060 6.332,1061 25.477,1062 2.919,1063 15.554,1064 18.749,1065 0.153,1066 31.799,1067 15.102,1068 1.731,1069 5.957,1070 27.368,1071 2.518,1072 16.718,1073 20.188,1074 7.91,1075 34.237,1076 16.238,1077 1.279,1078 5.073,1079 29.263,1080 2.415,1081 17.872,1082 21.588,1083 0.1,1084 36.662,1085 17.363,1086 4449,1087 6696,1088 15.433,1089 28.54,1090 36.834,1091 37.781,1092 38.651,1093 36.478,1094 36.413,1095 43.485,1096 8.149,1097 109.013,1098 34.616,1099 5.6,1100 5.802,1101 6.317,1102 5.325,1103 5.263,1104 7.194,1105 3.349,1106 19.056,1107 5.161,1108 12.794,1109 1.535,1110 1.574,1111 1.61,1112 1.52,1113 1.517,1114 1.812,1115 0.34,1116 4.542,1117 1.442,1118 4.031,1119 4.056,1120 3.991,1121 3.937,1122 7.433,1123 3.946,1124 3.812,1125 3.88,1126 3.711,1127 3.631,1128 4.839,1129 3.642,1130 3.594,1131 3.654,1132 3.499,1133 3.419,1134 4.421,1135 3.428,1136 3.34,1137 3.42,1138 3.188,1139 3.132,1140 4.311,1141 3.131,1142 3.154,1143 3.254,1144 3.031,1145 2.941,1146 4.086,1147 2.916,1148 3.127,1149 3.206,1150 2.912,1151 2.912,1152 4.03,1153 2.91,1154 3.111,1155 3.156,1156 2.866,1157 2.851,1158 3.769,1159 2.865,1160 2.874,1161 3.009,1162 2.652,1163 2.649,1164 3.474,1165 2.638,1166 0.192,1167 0.158,1168 0.288,1169 0.176,1170 0.136,1171 4.6,1172 0.175,1173 3.802,1174 0.07,1175 6.903,1176 0.479,1177 4.232,1178 0.132,1179 3.263,1180 4.194,1181 1.674,1182 11.493,1183 3.161,1184 1.969,1185 1.951,1186 2.058,1187 2.09,1188 1.308,1189 2.08,1190 1.768,1191 1.7,1192 1.965,1193 1.976,1194 1.169,1195 1.978,1196 1.547,1197 1.49,1198 1.777,1199 1.767,1200 0.889,1201 1.771,1202 1.327,1203 1.242,1204 1.624,1205 1.55,1206 0.825,1207 1.576,1208 1.153,1209 1.064,1210 1.537,1211 1.431,1212 0.707,1213 1.474,1214 1.151,1215 1.048,1216 1.513,1217 1.376,1218 0.633,1219 1.429,1220 1.018,1221 0.982,1222 1.417,1223 1.33,1224 0.469,1225 1.308,1226 0.934,1227 0.804,1228 1.238,1229 1.239,1230 0.32,1231 1.296,1232 3.892,1233 5.242,1235 6.797,1237 8.449,1239 10.153,1241 8.077,1247 3.666,1249 5.607,1252 6.432,1257 26.762,1258 66.85,1259 136.43,1260 179.094,1261 200.114,1262 200.114,1263 200.114,1264 32.968,1265 6.961,1266 39.93,1267 39.93,1268 18,1269 12.464,1270 3.17,1271 2.585,1272 34.398,1273 69,1274 70,1275 0.262,1276 165.398,1277 292.06,1278 395.332,1279 8322,1281 15.853,1282 0.721,1283 0.624,1284 15.853,1285 13.719,1286 10.469,1287 0.436,1288 0.319,1289 7.51,1290 9.959,1291 7.164,1292 6.001,1293 10.469,1294 7.654,1295 9.91,1296 0.283,1297 0.178,1298 9.91,1299 6.228,1300 8.244,1301 0.175,1302 0.095,1303 8.244,1304 4.456,1305 6.895,1306 0.111,1307 0.049,1308 6.895,1309 3.009,1310 5.549,1311 0.069,1312 0.026,1313 5.549,1314 2.1,1315 0.398,1316 66.225,1317 0.255,1318 21.295,1319 0.762,1320 118,1321 324.406,1322 130.443,1323 309.227,1324 425.71,1325 290,1326 141,1327 317.599,1328 154.972,1329 323.55,1330 475.39,1331 300,1332 5.322}
{0 CHEMBL600805,1 1.536,2 14.4,3 3.493,4 12.198,5 114.484,6 6.845,7 0.188,8 4.193,9 4.316,10 3.664,11 3.637,12 5.26,13 3.619,14 4.766,15 4.963,16 4.023,17 4.036,18 5.814,19 3.987,20 5.061,21 5.29,22 4.147,23 4.218,24 6.039,25 4.149,26 5.139,27 5.361,28 4.181,29 4.227,30 6.279,31 4.159,32 5.18,33 5.405,34 3.996,35 4.168,36 6.259,37 4.08,38 5.082,39 5.351,40 3.876,41 4.065,42 6.142,43 3.941,44 4.945,45 5.21,46 3.706,47 3.942,48 5.893,49 3.82,50 4.844,51 5.11,52 3.696,53 3.821,54 5.96,55 3.708,56 0.076,57 0.858,58 14.229,59 5.595,60 12.352,61 7.762,62 0.423,63 1.361,64 26.756,65 9.067,66 36.897,67 13.32,68 0.522,69 1.655,70 36.88,71 11.921,72 47.264,73 17.562,74 0.74,75 1.696,76 40.413,77 12.384,78 96.921,79 18.337,80 0.984,81 1.628,82 43.533,83 12.095,84 117.178,85 17.564,86 0.83,87 1.494,88 39.091,89 11.375,90 114.432,91 17.527,92 0.577,93 1.323,94 33.867,95 9.744,96 72.61,97 15.028,98 0.742,99 1.183,100 30.864,101 8.63,102 95.977,103 13.519,104 45,105 44,106 0.252,107 0.536,108 0.711,109 0.802,110 0.859,111 0.859,112 3.44,113 1.002,114 -3.22,115 -3.22,116 -3.09,119 36.1,120 2,121 5,125 5,135 1,137 1,138 2,139 1,140 3,151 1,152 1,163 7,165 2,166 3,169 2,171 5,172 8,175 3,176 4,181 2,183 5,187 7,190 2,191 1,192 4,194 4,197 1,198 5,201 2,203 2,205 1,208 2,209 5,212 2,214 2,221 4,224 1,226 2,230 2,231 7,234 3,236 2,242 3,249 1,252 1604,253 20.043,254 20.043,255 20.043,256 20.043,257 20.043,258 18.718,259 25.071,260 12.062,261 20.473,262 15.739,263 15.739,264 15.739,265 15.739,266 15.739,267 13.582,268 33.367,269 5.693,270 16.421,271 4.394,272 2.659,273 1.585,274 1.033,275 0.68,276 0.68,277 4.12,282 1,283 1,284 906,285 3.808,288 275.988,292 149.845,295 2.307,296 42.585,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 66.5,308 432,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.701,316 11.821,317 3.204,318 4.139,319 3.676,320 6.384,321 3.818,322 2.87,323 3.591,324 1.674,325 9.655,326 2.717,327 3.937,328 3.173,329 6.017,330 3.668,331 2.712,332 3.103,333 0.8,334 8.532,335 2.579,336 3.508,337 2.94,338 5.295,339 3.15,340 2.191,341 2.784,342 0.563,343 6.454,344 2.091,345 3.4,346 2.504,347 5.161,348 3.084,349 2.15,350 2.606,351 0.075,352 6.196,353 1.993,354 3.13,355 2.319,356 4.922,357 2.869,358 1.893,359 2.222,361 5.331,362 1.851,363 3.006,364 2.228,365 4.659,366 2.772,367 1.797,368 2.047,370 4.473,371 1.733,372 2.853,373 1.965,374 4.227,375 2.594,376 1.632,377 1.853,379 3.977,380 1.553,381 2.577,382 1.893,383 3.803,384 2.478,385 1.52,386 1.563,388 3.459,389 1.453,390 2.359,391 1.573,392 3.414,393 2.21,394 1.226,395 1.31,397 2.499,398 1.196,399 2,400 1.146,401 3.394,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.825,409 1.03,410 3.278,411 1.729,412 0.733,413 0.768,415 1.329,416 0.726,417 1.541,418 0.987,419 3.055,420 1.206,421 0.235,422 0.266,424 0.617,425 0.224,426 1.18,427 0.539,428 2.775,429 1.051,430 0.058,431 0.063,433 0.104,434 0.057,435 1.165,436 0.363,437 2.65,438 0.903,439 -0.047,440 -0.055,442 -0.127,443 -0.045,444 13.867,445 0.462,446 0.754,447 0.025,448 31.5,449 1.05,450 12,451 0.4,452 19.5,453 0.65,454 31.14,455 1.038,456 35.333,457 0.579,458 25.312,459 0.844,460 5.853,461 0.195,462 8.565,463 0.286,464 0.168,466 0.346,472 0.856,473 1.543,474 0.889,475 1.284,476 0.716,477 1.116,478 0.631,479 1.157,480 0.853,481 1.081,482 0.446,483 1.005,484 0.825,485 1.018,486 0.852,487 0.995,488 0.747,489 0.93,490 0.897,491 1.157,492 0.927,493 1.119,494 0.94,495 1.033,496 1.561,497 0.979,498 1.257,499 0.981,500 1.589,501 1.056,502 0.798,503 0.966,504 0.901,505 0.94,506 0.773,507 0.939,508 1.005,509 1,510 1.002,511 0.954,512 1.084,513 0.97,514 0.736,515 0.974,516 0.882,517 0.934,518 0.805,519 0.931,520 5.5,521 0.149,522 3.333,523 2.938,524 2.022,525 1.222,526 0.645,527 0.408,528 0.328,529 0.227,530 12100,531 30012,532 1.993,533 50.8,534 14,535 12,538 3,540 2,542 1.723,543 1.837,544 3.704,545 0.9,547 1,550 93.723,551 1.536,552 3.272,553 4.345,554 4.898,555 5.25,556 5.25,557 3.261,558 4.64,559 4.865,560 3.911,561 1701.49,562 8.467,563 24445.6,565 1,568 361.775,569 1.506,570 4.82,571 0.172,572 0.007,573 0.076,574 0.06,575 0.042,576 0.032,577 0.019,578 0.014,579 0.012,580 0.009,581 0.443,582 0.33,583 1,584 1.936,585 156.964,586 -0.078,587 -0.204,588 0.029,589 -0.052,590 -0.055,591 -0.002,592 0.142,593 0.045,594 0.09,595 0.001,596 0.136,597 0.033,598 0.028,599 0.059,600 0.109,601 0.031,602 0.003,603 0.082,604 0.11,605 -0.12,606 0.058,607 -0.11,608 0.094,609 -0.039,610 -0.22,611 -0.012,612 -0.216,613 -0.035,614 -0.225,615 -0.118,616 0.123,617 -0.025,618 0.08,619 0.006,620 0.154,621 0.03,622 -0.076,623 -0.039,624 -0.02,625 -0.008,626 -0.09,627 -0.004,628 0.214,629 -0.015,630 0.108,631 -0.004,632 0.181,633 0.025,634 2.185,635 5.576,636 0.533,637 37.591,638 1.005,639 1.137,640 1.995,641 3.979,642 0.622,643 3.497,644 3.807,645 4.078,646 4.357,647 4.554,648 4.71,649 4.779,650 4.934,651 4.934,652 4.997,653 7.888,654 0.59,655 417.56,656 3.497,657 5.03,658 5.878,659 6.76,660 7.631,661 8.529,662 9.412,663 10.319,664 11.209,665 12.123,666 4.9,669 1,673 2,681 2,686 4,688 6,700 2,703 61,705 9,706 1,707 32,709 63,710 22,711 6,712 4,713 2,714 3,717 3,718 4,720 1,721 2,727 5,729 10,730 12,733 3,737 2,741 4,744 1,747 31,748 8,749 3,750 8,755 3,760 0.667,761 5,776 3,780 1,786 1,788 1,789 1,792 1,796 2,801 2,805 30,809 2,810 10,811 1,812 1,815 2,825 8.2,827 2,828 2,830 1,832 16.333,833 11.217,834 6.778,835 4.1,836 1.723,837 1.228,838 0.912,839 7.889,840 9.295,841 3.664,842 4.167,843 4.656,844 5.168,845 5.605,846 5.953,847 6.132,848 6.512,849 6.633,850 6.719,851 0.9,852 49,853 11.233,854 4.801,855 7.911,856 21.344,857 17.44,859 2.411,860 72.333,862 1,863 1,864 329.591,865 85.643,866 24.259,868 146.656,871 85.643,872 476.247,873 24.259,874 17.65,875 44.336,876 18.952,877 145.605,878 25.739,879 4.276,880 329.591,882 329.591,883 109.902,884 146.656,887 306.049,888 170.199,891 65.111,892 42.034,893 2.757,895 329.591,896 170.916,897 85.643,900 329.591,901 49.04,902 42.852,903 18.011,904 146.656,905 329.591,906 170.916,907 85.643,909 0.573,910 0.335,911 0.183,912 0.093,913 19,914 10,915 0.111,916 7,917 1,918 1.125,919 4.115,920 255.791,921 0.125,922 16,923 137.207,928 22.756,929 10.4,930 5.423,932 170.916,933 2.543,938 0.256,940 103.377,941 586.149,942 38,946 24.951,950 0.402,952 61.312,953 69.355,954 0.259,955 0.552,956 0.733,957 0.826,958 0.885,959 0.885,960 4.924,961 1.632,962 5.866,963 4.473,964 4.489,965 4.852,966 2.566,967 6.698,968 4.403,969 6.101,970 1.52,971 7.44,972 3.977,973 4.111,974 4.745,975 1.404,976 7.673,977 3.973,978 7.408,979 1.226,980 9.121,981 3.459,982 6.089,983 6.94,984 3.35,985 10.822,986 5.917,987 8.75,988 1,989 10.866,990 2.499,991 6.538,992 7.661,993 2.498,994 12.653,995 6.323,996 10.131,997 0.733,998 12.653,999 2.275,1000 8.002,1001 9.389,1002 4.303,1003 15.339,1004 7.753,1005 11.537,1006 0.235,1007 14.47,1008 1.329,1009 8.844,1010 10.487,1011 3.613,1012 17.528,1013 8.56,1014 12.965,1015 0.058,1016 16.308,1017 0.617,1018 10.112,1019 12.045,1020 5.307,1021 20.058,1022 9.795,1023 3.308,1024 -0.047,1025 18.164,1026 0.104,1027 11.137,1028 13.321,1029 4.718,1030 22.4,1031 10.79,1032 2.87,1033 11.821,1034 20.033,1035 -0.127,1036 12.335,1037 14.812,1038 6.331,1039 24.878,1040 11.957,1041 2.712,1042 9.655,1043 21.912,1044 4.295,1045 13.442,1046 16.175,1047 5.808,1048 27.286,1049 13.035,1050 2.191,1051 8.532,1052 23.801,1053 3.591,1054 14.619,1055 17.641,1056 7.364,1057 29.749,1058 14.183,1059 2.15,1060 6.454,1061 25.697,1062 3.103,1063 15.765,1064 19.047,1065 6.887,1066 32.187,1067 15.3,1068 1.893,1069 6.196,1070 27.599,1071 2.784,1072 16.939,1073 20.502,1074 8.402,1075 34.648,1076 16.446,1077 1.797,1078 5.331,1079 29.506,1080 2.606,1081 18.104,1082 21.931,1083 7.96,1084 37.1,1085 17.582,1086 12030,1087 19332,1088 20.69,1089 37.949,1090 46.98,1091 48.963,1092 49.753,1093 46.8,1094 46.651,1095 54.942,1096 9.628,1097 133.444,1098 44.685,1099 5.651,1100 5.811,1101 6.956,1102 5.37,1103 5.308,1104 7.295,1105 3.376,1106 19.408,1107 5.204,1108 17.857,1109 1.468,1110 1.53,1111 1.555,1112 1.462,1113 1.458,1114 1.717,1115 0.301,1116 4.17,1117 1.396,1118 4.028,1119 4.046,1120 3.994,1121 3.924,1122 7.434,1123 3.938,1124 3.837,1125 3.89,1126 3.749,1127 3.665,1128 7.428,1129 3.667,1130 3.756,1131 3.823,1132 3.603,1133 3.607,1134 6.493,1135 3.604,1136 3.581,1137 3.644,1138 3.495,1139 3.405,1140 6.446,1141 3.414,1142 3.492,1143 3.537,1144 3.341,1145 3.342,1146 4.702,1147 3.331,1148 3.289,1149 3.364,1150 3.139,1151 3.048,1152 4.345,1153 3.058,1154 3.157,1155 3.206,1156 3.056,1157 2.941,1158 4.232,1159 2.921,1160 3.111,1161 3.186,1162 2.866,1163 2.885,1164 4.102,1165 2.91,1166 0.145,1167 0.119,1168 0.219,1169 0.134,1170 0.103,1171 4.651,1172 0.134,1173 3.811,1174 0.053,1175 6.993,1176 0.369,1177 4.278,1178 0.1,1179 3.308,1180 4.295,1181 1.701,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.042,1187 2.083,1188 1.38,1189 2.066,1190 1.79,1191 1.727,1192 2.027,1193 1.98,1194 1.297,1195 1.99,1196 1.747,1197 1.686,1198 1.926,1199 1.932,1200 1.131,1201 1.945,1202 1.561,1203 1.492,1204 1.847,1205 1.775,1206 1.117,1207 1.799,1208 1.467,1209 1.425,1210 1.671,1211 1.648,1212 0.825,1213 1.649,1214 1.25,1215 1.167,1216 1.574,1217 1.52,1218 0.782,1219 1.54,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.766,1225 1.429,1226 1.057,1227 1.012,1228 1.32,1229 1.364,1230 0.456,1231 1.353,1232 4.174,1233 5.485,1235 7,1237 8.626,1239 10.317,1241 3.932,1246 19.842,1247 8.437,1248 2.975,1249 5.346,1252 3.65,1257 36.013,1258 93.723,1259 199.589,1260 265.072,1261 298.755,1262 320.265,1263 320.265,1264 84.137,1265 7.572,1266 106.25,1267 106.25,1268 18,1269 12.641,1270 3.322,1271 2.807,1272 55.806,1273 139,1274 190,1275 0.196,1276 222.421,1277 402.29,1278 534.468,1279 20290,1281 21.673,1282 0.722,1283 0.591,1284 21.673,1285 17.739,1286 14.418,1287 0.451,1288 0.334,1289 10.528,1290 13.763,1291 10.287,1292 8.563,1293 14.418,1294 10.691,1295 12.749,1296 0.29,1297 0.178,1298 12.749,1299 7.821,1300 10.405,1301 0.179,1302 0.097,1303 10.405,1304 5.632,1305 9.112,1306 0.118,1307 0.052,1308 9.112,1309 3.999,1310 6.521,1311 0.069,1312 0.027,1313 6.521,1314 2.573,1315 0.316,1316 91.237,1317 0.22,1318 28.904,1319 0.513,1320 152,1321 473.129,1322 171.67,1323 444.082,1324 593.34,1325 412,1326 178,1327 429.93,1328 197.62,1329 427.468,1330 630.95,1331 402,1332 6.268}
{0 CHEMBL601217,1 1.762,2 13.667,3 1.812,4 3.282,5 120.465,6 8.456,7 0.333,8 4.154,9 4.238,10 3.933,11 3.676,12 5.328,13 3.669,14 4.696,15 4.835,16 4.299,17 4.075,18 6.055,19 4.061,20 4.969,21 5.112,22 4.421,23 4.286,24 6.213,25 4.248,26 5.121,27 5.279,28 4.416,29 4.308,30 6.476,31 4.272,32 5.158,33 5.325,34 4.214,35 4.234,36 6.433,37 4.183,38 5.042,39 5.272,40 4.089,41 4.132,42 6.238,43 4.012,44 4.89,45 5.123,46 4.058,47 3.976,48 5.942,49 3.867,50 4.724,51 4.905,52 4.047,53 3.823,54 6.332,55 3.777,56 0.233,57 0.835,58 12.432,59 5.442,60 32.817,61 5.791,62 0.68,63 1.345,64 21.143,65 8.768,66 66.472,67 10.18,68 0.833,69 1.705,70 34.714,71 12.535,72 91.028,73 13.282,74 1.177,75 1.804,76 41.164,77 14.22,78 157.614,79 16.002,80 1.496,81 1.727,82 39.068,83 13.199,84 196,85 14.768,86 1.158,87 1.618,88 38.869,89 13.331,90 147.102,91 17.314,92 0.907,93 1.397,94 36.588,95 11.342,96 127.919,97 14.042,98 1.168,99 1.186,100 32.332,101 9.476,102 182.511,103 10.925,104 67,105 54,106 0.287,107 0.636,108 0.741,109 0.821,110 0.832,111 0.832,112 3.532,113 0.97,114 -1.78,115 -1.84,116 -1.86,119 39.3,120 2,125 4,135 1,137 1,138 6,139 1,140 5,151 2,163 4,165 4,166 4,169 1,171 7,172 6,175 3,176 10,181 3,183 4,187 13,190 2,191 1,192 3,194 4,197 2,198 5,201 1,203 1,205 2,208 2,209 5,212 5,214 1,221 4,224 1,230 7,231 9,234 1,238 2,242 4,245 1,249 6,252 1780,253 21.358,254 21.358,255 21.358,256 21.358,257 21.358,258 18.992,259 30.315,260 12.065,261 21.857,262 17.711,263 17.711,264 17.711,265 17.711,266 17.711,267 13.972,268 42.252,269 5.667,270 18.553,271 4.046,272 1.912,273 1.268,274 0.777,275 0.706,276 0.706,277 4.218,282 1,283 1,284 966,285 3.937,288 419.331,292 165.723,295 2.121,296 63.311,299 1,300 0.67,301 1,302 0.8,303 0.5,304 0.83,305 0.5,306 0.76,307 74.5,308 451,309 4.931,310 4.725,311 7.666,312 4.435,313 3.513,314 4.758,315 1.907,316 13.611,317 3.225,318 4.651,319 3.809,320 6.993,321 4.274,322 3.305,323 4.295,324 1.674,325 11.82,326 3.191,327 4.132,328 3.532,329 6.382,330 3.77,331 2.814,332 3.591,333 0.8,334 9.644,335 2.686,336 3.954,337 3.173,338 5.63,339 3.573,340 2.598,341 3.476,342 0.4,343 7.375,344 2.529,345 3.516,346 2.966,347 5.383,348 3.217,349 2.268,350 2.786,351 0.149,352 6.582,353 2.15,354 3.492,355 2.606,356 5.295,357 3.132,358 2.175,359 2.704,361 6.454,362 2.078,363 3.413,364 2.494,365 5.15,366 3.045,367 2.069,368 2.612,370 6.069,371 2.001,372 3.218,373 2.372,374 4.917,375 2.862,376 1.895,377 2.349,379 5.263,380 1.801,381 3.07,382 2.274,383 4.659,384 2.662,385 1.689,386 2.194,388 4.582,389 1.627,390 2.984,391 2.005,392 4.458,393 2.566,394 1.609,395 2.048,397 4.447,398 1.528,399 2.587,400 1.47,401 4.202,402 2.235,403 1.274,404 1.546,406 3.657,407 1.218,408 2.5,409 1.146,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2,418 1,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 1.545,427 0.978,428 3.369,429 1.199,430 0.228,431 0.264,433 0.638,434 0.217,435 1.302,436 0.687,437 3.061,438 0.932,439 -0.032,440 -0.039,442 -0.082,443 -0.03,444 15.367,445 0.466,446 1.185,447 0.036,448 43.25,449 1.311,450 21.5,451 0.652,452 21.75,453 0.659,454 29.023,455 0.879,456 36.833,457 0.658,458 38.625,459 1.17,460 8.523,461 0.258,462 7.05,463 0.214,464 0.195,465 0.054,466 0.377,472 0.736,473 1.405,474 0.79,475 1.232,476 0.715,477 0.939,478 0.627,479 1.087,480 0.707,481 0.886,482 0.497,483 0.826,484 1.017,485 1.082,486 1.278,487 1.203,488 0.905,489 1.014,490 1.015,491 1.176,492 1.166,493 1.249,494 1.064,495 1.108,496 1.492,497 1.005,498 1.147,499 0.937,500 1.498,501 1.16,502 0.621,503 0.958,504 0.873,505 0.964,506 0.616,507 1.061,508 0.854,509 0.984,510 0.906,511 0.982,512 0.931,513 0.956,514 0.735,515 1.033,516 1.221,517 1.167,518 0.699,519 0.937,520 9,521 0.235,522 4.889,523 4.063,524 2.604,525 1.618,526 0.947,527 0.694,528 0.44,529 0.368,530 15354,531 52473,532 2.001,533 41.1,534 3,535 14,538 3,539 3,542 1.749,543 1.808,544 3.652,545 0.922,547 1,550 98.656,551 1.762,552 3.895,553 4.539,554 5.03,555 5.102,556 5.102,557 3.233,558 4.681,559 5.012,560 3.867,561 2041.83,562 8.763,563 30356.1,568 325.212,569 1.71,570 4.933,571 0.25,572 0.008,573 0.091,574 0.068,575 0.044,576 0.035,577 0.024,578 0.02,579 0.012,580 0.012,581 0.563,582 0.33,583 0.75,584 0.954,585 175.714,586 -0.045,587 -0.183,588 0.156,589 -0.06,590 -0.125,591 0.03,592 0.15,593 0.066,594 0.169,595 0.116,596 0.173,597 0.119,598 -0.136,599 0.057,600 -0.166,601 -0.058,602 -0.077,603 -0.044,604 -0.026,605 -0.165,606 -0.131,607 -0.191,608 -0.021,609 -0.124,610 -0.299,611 -0.083,612 -0.285,613 -0.058,614 -0.305,615 -0.23,616 0.169,617 -0.027,618 0.093,619 -0.01,620 0.122,621 -0.019,622 -0.015,623 -0.033,624 0.193,625 0.042,626 -0.091,627 0.089,628 0.337,629 -0.009,630 0.031,631 -0.045,632 0.419,633 0.052,634 4.671,635 6.032,636 0.667,637 36.173,638 1.027,639 1.126,640 0.552,641 0.304,642 0.669,643 3.611,644 4.007,645 4.29,646 4.575,647 4.779,648 4.942,649 5.056,650 5.215,651 5.187,652 5.308,653 7.722,654 0.652,655 473.55,656 3.611,657 5.198,658 6.071,659 6.986,660 7.874,661 8.793,662 9.689,663 10.609,664 11.509,665 12.432,666 5.4,669 2,673 1,681 6,686 6,688 12,700 2,703 56,705 17,706 2,707 36,709 59,710 22,711 12,712 6,713 6,714 3,717 4,718 5,721 2,729 16,730 6,733 5,736 1,737 4,741 4,744 1,747 23,748 10,749 3,750 11,751 1,755 3,760 0.75,761 7,776 4,780 1,783 1,786 1,788 1,789 1,792 1,796 3,799 1,801 2,805 33,808 1,809 2,810 4,811 1,812 1,815 2,825 12.5,827 2,828 4,830 1,832 18.25,833 10.55,834 7,835 3.174,836 2.703,837 1.334,838 0.953,839 6.311,840 10.798,841 3.871,842 4.511,843 5.014,844 5.543,845 6.007,846 6.33,847 6.558,848 6.866,849 6.883,850 7.06,851 1,852 60,853 12.591,854 5.883,855 8.215,856 22.623,857 19.031,859 2.715,860 89.583,864 235.422,865 119.313,866 22.654,868 190.969,870 5.807,871 113.505,872 426.391,873 22.654,874 17.65,875 26.434,876 62.665,877 194.622,878 31.565,880 235.422,882 235.422,883 136.159,884 190.969,885 5.807,887 235.422,888 190.969,891 48.727,892 84.676,893 8.564,895 235.422,896 213.623,897 119.313,899 5.807,900 235.422,901 38.998,902 79.151,903 18.011,904 190.969,905 235.422,906 213.623,907 119.313,909 0.603,910 0.352,911 0.19,912 0.096,913 27,914 14,915 0.068,916 4,917 1,918 1.091,919 4.202,920 313.373,921 0.091,922 22,923 156.465,927 1,928 23.419,929 8.893,930 4.533,932 213.623,933 8.354,938 0.563,940 103.377,941 568.358,942 47,945 -3.755,946 49.863,950 -0.14,952 57.509,953 63.033,954 0.303,955 0.671,956 0.782,957 0.866,958 0.879,959 0.879,960 5.165,961 1.895,962 6.125,963 6.069,964 4.691,965 5.198,966 2.634,967 7.033,968 4.598,969 6.424,970 1.689,971 7.758,972 5.263,973 4.575,974 5.366,975 1.668,976 8.295,977 4.412,978 7.793,979 1.609,980 9.504,981 4.582,982 6.418,983 7.494,984 3.54,985 11.398,986 6.214,987 9.2,988 1.274,989 11.318,990 4.447,991 7.074,992 8.442,993 3.047,994 13.501,995 6.788,996 10.642,997 1,998 13.18,999 3.657,1000 8.489,1001 10.162,1002 4.615,1003 16.221,1004 8.157,1005 12.111,1006 1,1007 15.076,1008 2.275,1009 9.48,1010 11.442,1011 4.412,1012 18.633,1013 9.064,1014 13.601,1015 0.228,1016 16.998,1017 2.275,1018 10.756,1019 13.033,1020 5.751,1021 21.249,1022 10.285,1023 3.513,1024 -0.032,1025 18.941,1026 0.638,1027 11.888,1028 14.455,1029 5.75,1030 23.772,1031 11.336,1032 3.305,1033 13.611,1034 20.901,1035 -0.082,1036 13.125,1037 16.004,1038 6.92,1039 26.363,1040 12.509,1041 2.814,1042 11.82,1043 22.873,1044 4.758,1045 14.315,1046 17.49,1047 7.068,1048 28.927,1049 13.621,1050 2.598,1051 9.644,1052 24.855,1053 4.295,1054 15.544,1055 19.028,1056 8.114,1057 31.516,1058 14.781,1059 2.268,1060 7.375,1061 26.845,1062 3.591,1063 16.76,1064 20.543,1065 8.374,1066 34.098,1067 15.919,1068 2.175,1069 6.582,1070 28.842,1071 3.476,1072 17.99,1073 22.081,1074 9.328,1075 36.69,1076 17.077,1077 2.069,1078 6.454,1079 30.844,1080 2.786,1081 19.217,1082 23.611,1083 9.674,1084 39.282,1085 18.228,1086 14824,1087 27559,1088 22.887,1089 37.46,1090 55.432,1091 57.856,1092 57.986,1093 54.969,1094 54.873,1095 70.245,1096 9.861,1097 169.383,1098 52.434,1099 5.931,1100 6.725,1101 7.08,1102 5.529,1103 5.513,1104 7.758,1105 3.581,1106 21.577,1107 5.225,1108 21.738,1109 1.54,1110 1.607,1111 1.611,1112 1.527,1113 1.524,1114 1.951,1115 0.274,1116 4.705,1117 1.457,1118 4.112,1119 4.107,1120 4.742,1121 4.079,1122 7.715,1123 4.001,1124 3.997,1125 3.996,1126 3.987,1127 3.914,1128 7.434,1129 3.919,1130 3.793,1131 3.84,1132 3.762,1133 3.654,1134 7.429,1135 3.646,1136 3.633,1137 3.644,1138 3.635,1139 3.497,1140 6.999,1141 3.478,1142 3.489,1143 3.526,1144 3.397,1145 3.306,1146 6.493,1147 3.314,1148 3.376,1149 3.386,1150 3.345,1151 3.218,1152 6.446,1153 3.193,1154 3.157,1155 3.206,1156 3.057,1157 2.941,1158 4.721,1159 2.92,1160 3.111,1161 3.176,1162 2.866,1163 2.88,1164 4.692,1165 2.91,1166 0.137,1167 0.131,1168 0.213,1169 0.123,1170 0.098,1171 4.931,1172 0.132,1173 4.725,1174 0.053,1175 7.666,1176 0.378,1177 4.435,1178 0.09,1179 3.513,1180 4.758,1181 1.907,1182 13.611,1183 3.225,1184 1.981,1185 1.983,1186 2.028,1187 2.097,1188 1.337,1189 2.111,1190 1.94,1191 1.934,1192 1.988,1193 2.034,1194 1.164,1195 2.034,1196 1.742,1197 1.694,1198 1.905,1199 1.924,1200 1.099,1201 1.923,1202 1.515,1203 1.504,1204 1.701,1205 1.722,1206 0.825,1207 1.725,1208 1.438,1209 1.39,1210 1.667,1211 1.637,1212 0.776,1213 1.644,1214 1.266,1215 1.263,1216 1.513,1217 1.45,1218 0.727,1219 1.495,1220 1.153,1221 1.064,1222 1.276,1223 1.376,1224 0.568,1225 1.429,1226 1.032,1227 1.006,1228 1.181,1229 1.348,1230 0.314,1231 1.311,1232 4.29,1233 5.666,1235 7.239,1237 8.906,1239 10.623,1241 3.04,1246 19.888,1247 0.792,1248 2.593,1249 5.312,1252 3.073,1257 36.523,1258 98.656,1259 218.134,1260 254.192,1261 281.702,1262 285.702,1263 285.702,1264 99.732,1265 8.095,1266 140.39,1267 148.77,1268 24,1269 12.943,1270 4.17,1271 3.585,1272 54.655,1273 156,1274 163,1275 0.176,1276 225.369,1277 407.2,1278 541.661,1279 38466,1281 23.913,1282 0.725,1283 0.571,1284 24.163,1285 18.847,1286 15.573,1287 0.433,1288 0.323,1289 10.138,1290 14.018,1291 9.766,1292 8.031,1293 16.362,1294 11.638,1295 15.321,1296 0.284,1297 0.18,1298 16.64,1299 9.736,1300 12.299,1301 0.171,1302 0.104,1303 13.639,1304 7.473,1305 10.921,1306 0.114,1307 0.057,1308 11.999,1309 5.467,1310 7.91,1311 0.067,1312 0.032,1313 8.8,1314 3.719,1315 0.279,1316 106.989,1317 0.209,1318 30.761,1319 0.472,1320 180,1321 631.461,1322 244.032,1323 615.157,1324 818.3,1325 564,1326 216,1327 565.71,1328 286.799,1329 602.038,1330 884.63,1331 564,1332 5.592}
{0 CHEMBL601424,1 1.579,2 11.464,3 2.464,4 6.069,5 103.407,6 7.926,7 0.387,8 3.996,9 4.089,10 3.604,11 3.517,12 5.188,13 3.525,14 4.519,15 4.666,16 4,17 3.915,18 5.711,19 3.912,20 4.801,21 4.966,22 4.137,23 4.097,24 5.963,25 4.077,26 4.911,27 5.08,28 4.156,29 4.098,30 6.216,31 4.072,32 4.961,33 5.133,34 3.961,35 4.046,36 6.178,37 3.998,38 4.878,39 5.114,40 3.797,41 3.951,42 6.039,43 3.846,44 4.714,45 4.962,46 3.543,47 3.772,48 5.716,49 3.657,50 4.489,51 4.732,52 3.496,53 3.546,54 5.718,55 3.465,56 0.119,57 0.667,58 8.902,59 4.432,60 16.813,61 5.111,62 0.369,63 1.11,64 17.121,65 7.011,66 27.793,67 8.742,68 0.496,69 1.394,70 24.267,71 9.603,72 46.087,73 11.878,74 0.746,75 1.457,76 28.482,77 10.764,78 98.724,79 13.316,80 0.999,81 1.445,82 32.205,83 10.784,84 130.284,85 12.334,86 0.82,87 1.381,88 31.092,89 10.723,90 113.676,91 14.63,92 0.583,93 1.17,94 26.859,95 9.054,96 77.596,97 12.34,98 0.59,99 0.916,100 21.576,101 7.19,102 83.498,103 9.936,104 26,105 45,106 0.267,107 0.592,108 0.702,109 0.778,110 0.83,111 0.83,112 3.375,113 0.875,114 -3.12,115 -3.11,116 -2.99,119 43.8,120 1,125 4,135 1,137 1,138 7,139 2,140 3,151 2,163 8,165 2,166 5,171 4,172 10,175 3,176 8,181 1,183 5,187 9,190 2,191 1,192 3,194 2,197 1,198 6,201 1,203 1,208 2,209 5,212 2,214 1,221 3,224 1,227 1,230 2,231 7,234 1,238 4,242 4,249 6,252 1156,253 18.706,254 18.706,255 18.706,256 18.706,257 18.706,258 16.693,259 22.442,260 10.79,261 19.067,262 15.257,263 15.257,264 15.257,265 15.257,266 15.257,267 12.151,268 30.708,269 5.088,270 15.836,271 4.006,272 2.086,273 1.441,274 0.99,275 0.682,276 0.682,277 4.068,281 1,282 1,283 1,284 699,285 2.828,288 329.259,292 128.027,295 1.75,296 41.607,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 62,308 321,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.674,316 11.821,317 3.204,318 4.241,319 3.692,320 6.41,321 3.954,322 2.976,323 3.717,324 1.2,325 9.741,326 2.914,327 4.127,328 3.173,329 6.36,330 3.758,331 2.794,332 3.59,333 0.8,334 9.56,335 2.683,336 3.558,337 2.942,338 5.302,339 3.267,340 2.307,341 2.807,342 0.293,343 6.56,344 2.207,345 3.502,346 2.513,347 5.293,348 3.136,349 2.177,350 2.766,352 6.454,353 2.076,354 3.374,355 2.344,356 5.111,357 3.006,358 2.073,359 2.6,361 6.05,362 1.922,363 3.114,364 2.269,365 4.891,366 2.74,367 1.766,368 2.229,370 5.187,371 1.705,372 3.004,373 2.128,374 4.658,375 2.585,376 1.623,377 2.081,379 4.457,380 1.547,381 2.755,382 1.95,383 3.904,384 2.422,385 1.447,386 1.799,388 3.287,389 1.403,390 2.5,391 1.323,392 3.42,393 2,394 1,395 1.5,397 2.275,398 1,399 2.274,400 1.146,401 3.414,402 1.967,403 1,404 1.06,406 2.136,407 0.965,408 2,409 1,410 3.247,411 1.807,412 0.772,413 1,415 1.893,416 0.789,417 1.541,418 0.989,419 3.243,420 1.179,421 0.2,422 0.237,424 0.555,425 0.192,426 1.178,427 0.535,428 3.053,429 0.904,430 -0.046,431 -0.053,433 -0.123,434 -0.043,435 1.032,436 0.228,437 2.663,438 0.675,439 -0.287,440 -0.362,442 -0.74,443 -0.272,444 12.967,445 0.463,446 0.806,447 0.029,448 36.5,449 1.304,450 18,451 0.643,452 18.5,453 0.661,454 22.816,455 0.815,456 30.233,457 0.63,458 29.504,459 1.054,460 7.428,461 0.265,462 6.024,463 0.215,464 0.141,466 0.409,472 0.829,473 1.286,474 0.742,475 1.048,476 0.721,477 0.905,478 0.692,479 1.078,480 0.759,481 0.935,482 0.499,483 0.855,484 0.877,485 1.035,486 0.9,487 1.033,488 0.794,489 0.974,490 0.934,491 1.188,492 0.963,493 1.17,494 1.021,495 1.088,496 1.656,497 1.039,498 1.416,499 1.031,500 1.678,501 1.151,502 0.72,503 0.99,504 0.986,505 1.005,506 0.693,507 1.051,508 0.879,509 0.946,510 1.038,511 0.959,512 0.937,513 1.02,514 0.667,515 0.874,516 0.795,517 0.873,518 0.705,519 0.865,520 5.5,521 0.173,522 3.556,523 3.25,524 2.133,525 1.153,526 0.622,527 0.382,528 0.332,529 0.216,530 9789,531 29196,532 2.072,533 41.7,534 3,535 15,538 2,542 1.709,543 1.909,544 3.432,545 0.247,546 1,547 1,550 75.791,551 1.579,552 3.499,553 4.144,554 4.595,555 4.903,556 4.903,557 2.942,558 4.307,559 4.778,560 3.6,561 1360.92,562 8.3,563 17578.8,565 1,567 1,568 268.078,569 1.497,570 4.723,571 0.177,572 0.008,573 0.079,574 0.065,575 0.044,576 0.03,577 0.019,578 0.015,579 0.014,580 0.009,581 0.462,582 0.5,583 1,584 0.616,585 139.963,586 -0.094,587 -0.145,588 0.024,589 -0.007,590 -0.09,591 0.025,592 0.062,593 0.063,594 0.088,595 0.049,596 0.083,597 0.078,598 -0.015,599 0.036,600 0.002,601 -0.051,602 -0.027,603 -0.024,604 0.091,605 -0.193,606 -0.007,607 -0.189,608 0.062,609 -0.131,610 -0.319,611 -0.083,612 -0.395,613 -0.08,614 -0.325,615 -0.232,616 0.134,617 -0.044,618 0.032,619 -0.035,620 0.143,621 -0.03,622 -0.047,623 -0.004,624 -0.009,625 0.007,626 -0.084,627 0.008,628 0.228,629 0.055,630 0.25,631 0.094,632 0.206,633 0.163,634 2.196,635 5.599,636 0.786,637 26.469,638 1.017,639 1.12,640 1.885,641 3.555,642 0.67,643 3.466,644 3.829,645 4.143,646 4.443,647 4.654,648 4.771,649 4.86,650 5.024,651 5.056,652 5.136,653 6.534,654 0.653,655 380.43,656 3.466,657 5.03,658 5.905,659 6.808,660 7.696,661 8.605,662 9.498,663 10.41,664 11.307,665 12.222,666 4.2,669 1,673 1,681 7,686 5,688 12,693 1,700 2,703 48,705 15,706 2,707 31,709 51,710 21,711 12,712 5,713 7,714 4,717 4,718 5,721 1,729 16,730 5,733 3,737 2,741 4,743 1,744 1,747 20,748 7,749 2,750 7,755 2,760 0.75,761 5,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 1,805 28,809 2,810 4,812 1,815 2,825 10.4,827 2,828 2,830 1,832 14.667,833 8.883,834 6.056,835 2.836,836 2.549,837 1.33,838 0.952,839 4.936,840 10.271,841 3.714,842 4.304,843 4.868,844 5.404,845 5.863,846 6.103,847 6.302,848 6.629,849 6.78,850 6.92,851 0.875,852 50,853 10.443,854 4.64,855 8.018,856 19.415,857 16.218,859 2.518,860 70.5,863 1,864 211.88,865 113.035,866 6.249,868 146.656,871 113.035,872 358.536,873 6.249,874 8.825,875 11.547,876 66.334,877 150.309,878 28.924,880 211.88,882 211.88,883 119.283,884 146.656,887 211.88,888 146.656,891 23.497,892 93.03,893 2.757,895 211.88,896 152.905,897 113.035,900 211.88,901 37.876,902 81.408,904 146.656,905 211.88,906 152.905,907 113.035,909 0.593,910 0.359,911 0.202,912 0.104,913 23,914 11,915 0.039,916 2,917 1,918 1.091,919 3.871,920 252.165,921 0.091,922 22,923 126.606,928 18.689,929 7.395,930 3.455,932 152.905,933 11.629,938 0.864,940 85.367,941 477.82,942 40,946 25.159,950 0.403,952 48.793,953 53.78,954 0.283,955 0.627,956 0.742,957 0.823,958 0.878,959 0.878,960 4.984,961 1.623,962 5.916,963 5.187,964 4.511,965 4.99,966 2.346,967 6.781,968 4.439,969 6.199,970 1.447,971 7.513,972 4.457,973 4.205,974 4.856,975 0.57,976 7.789,977 4.091,978 7.523,979 1,980 9.211,981 3.287,982 6.155,983 7.15,984 3.031,985 10.936,986 6.015,987 8.879,988 1,989 10.968,990 2.275,991 6.648,992 7.804,993 0.801,994 12.769,995 6.477,996 10.268,997 0.772,998 12.763,999 2.136,1000 8.1,1001 9.611,1002 3.913,1003 15.452,1004 7.902,1005 11.68,1006 0.2,1007 14.586,1008 1.893,1009 8.96,1010 10.642,1011 1.074,1012 17.632,1013 8.734,1014 13.111,1015 -0.046,1016 16.428,1017 0.555,1018 10.224,1019 12.247,1020 4.876,1021 20.157,1022 9.971,1023 3.308,1024 -0.287,1025 18.285,1026 -0.123,1027 11.253,1028 13.47,1029 1.404,1030 22.487,1031 10.972,1032 2.976,1033 11.821,1034 20.155,1035 -0.74,1036 12.449,1037 14.984,1038 5.875,1039 24.957,1040 12.139,1041 2.794,1042 9.741,1043 22.034,1044 4.295,1045 13.555,1046 16.308,1047 1.768,1048 27.354,1049 13.215,1050 2.307,1051 9.56,1052 23.921,1053 3.717,1054 14.729,1055 17.781,1056 6.892,1057 29.81,1058 14.36,1059 2.177,1060 6.56,1061 25.815,1062 3.59,1063 15.871,1064 19.159,1065 2.15,1066 32.239,1067 15.471,1068 2.073,1069 6.454,1070 27.714,1071 2.807,1072 17.041,1073 20.614,1074 7.916,1075 34.693,1076 16.61,1077 1.766,1078 6.05,1079 29.618,1080 2.766,1081 18.2,1082 22.023,1083 2.538,1084 37.138,1085 17.739,1086 9299,1087 16202,1088 20.403,1089 32.137,1090 47.733,1091 49.407,1092 49.311,1093 47.038,1094 46.888,1095 59.36,1096 7.934,1097 139.949,1098 45.212,1099 5.651,1100 5.811,1101 6.795,1102 5.37,1103 5.308,1104 7.295,1105 3.349,1106 19.408,1107 5.204,1108 14.959,1109 1.54,1110 1.594,1111 1.591,1112 1.517,1113 1.513,1114 1.915,1115 0.256,1116 4.514,1117 1.458,1118 4.033,1119 4.053,1120 3.998,1121 3.93,1122 7.433,1123 3.943,1124 3.926,1125 3.947,1126 3.871,1127 3.849,1128 7.427,1129 3.849,1130 3.764,1131 3.818,1132 3.674,1133 3.602,1134 6.493,1135 3.613,1136 3.513,1137 3.54,1138 3.45,1139 3.365,1140 6.446,1141 3.376,1142 3.19,1143 3.234,1144 3.116,1145 2.988,1146 4.733,1147 3.01,1148 3.153,1149 3.206,1150 3.055,1151 2.941,1152 4.695,1153 2.918,1154 3.111,1155 3.161,1156 2.866,1157 2.877,1158 4.321,1159 2.91,1160 2.931,1161 2.96,1162 2.787,1163 2.735,1164 4.029,1165 2.715,1166 0.15,1167 0.123,1168 0.226,1169 0.138,1170 0.107,1171 4.651,1172 0.139,1173 3.811,1174 0.054,1175 6.993,1176 0.381,1177 4.278,1178 0.103,1179 3.308,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.952,1185 1.941,1186 2.045,1187 2.086,1188 1.302,1189 2.072,1190 1.907,1191 1.883,1192 2.007,1193 2.009,1194 1.132,1195 2.007,1196 1.729,1197 1.671,1198 1.908,1199 1.905,1200 1.061,1201 1.912,1202 1.467,1203 1.432,1204 1.669,1205 1.643,1206 0.825,1207 1.643,1208 1.153,1209 1.073,1210 1.513,1211 1.382,1212 0.769,1213 1.429,1214 1.112,1215 1.064,1216 1.31,1217 1.376,1218 0.431,1219 1.367,1220 1.018,1221 0.999,1222 1.194,1223 1.315,1224 0.237,1225 1.264,1226 0.886,1227 0.821,1228 1.181,1229 1.155,1230 0.218,1231 1.115,1232 4.143,1233 5.493,1235 7.052,1237 8.708,1239 10.415,1241 1.743,1246 19.81,1247 1.918,1249 5.334,1252 3.64,1257 31.358,1258 75.791,1259 167.967,1260 198.917,1261 220.568,1262 235.323,1263 235.323,1264 63.355,1265 7.722,1266 94.22,1267 94.22,1268 24,1269 12.737,1270 4,1271 3.322,1272 42.56,1273 110,1274 112,1275 0.192,1276 189.859,1277 342.81,1278 455.017,1279 23809,1281 19.836,1282 0.708,1283 0.549,1284 19.836,1285 15.383,1286 13.452,1287 0.434,1288 0.292,1289 8.898,1290 12.87,1291 8.709,1292 7.156,1293 13.452,1294 9.041,1295 12.473,1296 0.277,1297 0.152,1298 12.473,1299 6.846,1300 10.724,1301 0.173,1302 0.082,1303 10.724,1304 5.096,1305 9.631,1306 0.115,1307 0.044,1308 9.631,1309 3.726,1310 7.101,1311 0.068,1312 0.024,1313 7.101,1314 2.451,1315 0.3,1316 84.99,1317 0.221,1318 26.628,1319 0.528,1320 152,1321 490.796,1322 169.783,1323 465.344,1324 626.91,1325 432,1326 183,1327 458.24,1328 201.453,1329 459.09,1330 678.95,1331 432,1332 5.361}
{0 CHEMBL601650,1 1.553,2 8.15,3 1.807,4 3.266,5 77.269,6 7.22,7 0.273,8 3.75,9 3.862,10 3.291,11 3.227,12 4.836,13 3.222,14 4.311,15 4.499,16 3.675,17 3.627,18 5.378,19 3.61,20 4.547,21 4.732,22 3.771,23 3.833,24 5.58,25 3.778,26 4.682,27 4.905,28 3.703,29 3.835,30 5.697,31 3.742,32 4.683,33 4.916,34 3.516,35 3.679,36 5.729,37 3.596,38 4.428,39 4.658,40 3.314,41 3.473,42 5.59,43 3.369,44 4.212,45 4.467,46 2.947,47 3.287,48 5.153,49 3.137,50 4.034,51 4.303,52 2.571,53 3.014,54 4.909,55 2.839,56 0.043,57 0.547,58 8.312,59 3.475,60 6.966,61 4.587,62 0.282,63 0.894,64 16.26,65 5.325,66 22.489,67 7.6,68 0.336,69 1.083,70 20.647,71 7.564,72 22.503,73 10.303,74 0.319,75 1.128,76 24.625,77 8.939,78 36.565,79 12.533,80 0.535,81 1.016,82 26.434,83 7.873,84 62.93,85 10.796,86 0.508,87 0.815,88 20.107,89 6.331,90 64.351,91 8.91,92 0.27,93 0.677,94 15.951,95 5.35,96 32.522,97 7.754,98 0.225,99 0.534,100 13.689,101 4.346,102 28.232,103 6.333,104 17,105 32,106 0.283,107 0.607,108 0.753,109 0.814,110 0.814,111 0.814,112 3.059,113 0.922,114 -2.87,115 -2.88,116 -2.79,119 39.5,120 1,124 1,125 4,135 1,137 1,138 3,139 1,140 2,151 1,163 4,165 1,166 3,171 2,172 5,175 3,176 5,181 1,183 4,187 6,190 1,192 1,194 2,198 4,203 1,208 2,209 3,212 1,214 1,221 1,224 1,231 2,252 446,253 13.223,254 13.223,255 13.223,256 13.223,257 13.223,258 12.081,259 18.666,260 7.575,261 13.577,262 10.822,263 10.822,264 10.822,265 10.822,266 10.822,267 9.03,268 24.999,269 3.592,270 11.388,271 3.695,272 1.916,273 1.112,274 0.777,275 0.777,276 0.777,277 3.734,281 1,282 1,283 1,284 350,285 2,288 146.685,292 79.012,295 1.28,296 22,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 44,308 163,309 4.596,310 3.801,311 6.902,312 4.228,313 3.259,314 4.186,315 1.674,316 11.488,317 3.156,318 4.046,319 3.023,320 6.188,321 3.695,322 2.742,323 3.517,324 0.8,325 9.07,326 2.615,327 3.524,328 2.988,329 5.262,330 3.328,331 2.39,332 2.748,333 0.8,334 6.447,335 2.234,336 3.425,337 2.641,338 5.196,339 3.107,340 2.141,341 2.517,343 6.236,344 2.056,345 3.276,346 2.423,347 4.908,348 2.927,349 2,350 2.391,352 5.601,353 1.833,354 2.866,355 2.122,356 4.753,357 2.618,358 1.676,359 1.891,361 4.906,362 1.568,363 2.599,364 1.391,365 3.91,366 2.108,367 1.111,368 1.58,370 2.841,371 1.104,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.486,382 0.844,383 3.246,384 1.22,385 0.25,386 0.27,388 0.628,389 0.239,390 1.183,391 0.549,392 2.811,393 0.886,394 -0.073,395 -0.091,397 -0.184,398 -0.07,399 0.943,400 0.122,401 2.393,402 0.608,403 -0.322,404 -0.355,406 -0.785,407 -0.296,408 0.663,409 -0.104,410 2.305,411 0.477,412 -0.505,413 -0.604,415 -1.178,416 -0.485,417 0.471,418 -0.412,419 2,420 -0.003,421 -1,422 -1,424 -2.832,425 -0.9,426 0.006,427 -0.6,428 1.836,429 -0.1,430 -1,431 -1.332,433 -3,434 -0.988,436 -0.932,437 1.673,438 -0.271,439 -1.202,440 -1.367,442 -3.064,443 -1.119,444 9.3,445 0.465,446 0.613,447 0.031,448 23.5,449 1.175,450 10,451 0.5,452 13.5,453 0.675,454 16.22,455 0.811,456 22.5,457 0.592,458 16.575,459 0.829,460 4.768,461 0.238,462 4.791,463 0.24,464 0.179,466 0.409,472 0.844,473 1.513,474 0.805,475 1.215,476 0.713,477 1.034,478 0.833,479 0.977,480 0.795,481 0.815,482 0.451,483 0.767,484 0.852,485 1.006,486 0.99,487 1.068,488 0.725,489 1.05,490 0.713,491 1.163,492 0.896,493 1.195,494 0.69,495 1.101,496 1.562,497 0.897,498 1.143,499 0.891,500 1.586,501 0.936,502 1.057,503 0.969,504 1.077,505 0.995,506 1.209,507 1.044,508 0.819,509 1.007,510 1.076,511 1.07,512 0.994,513 1.119,514 1.023,515 1.03,516 1.153,517 1.077,518 1.042,519 1.137,520 4.5,521 0.041,522 2.667,523 2,524 1.711,525 0.785,526 0.462,527 0.161,528 0.151,529 0.04,530 3430,531 8907,532 2.048,533 47.4,534 3,535 14,538 1,542 1.621,543 1.875,544 2.981,545 -0.271,547 1,548 1,550 59.004,551 1.553,552 3.332,553 4.136,554 4.471,555 4.471,556 4.471,557 2.504,558 3.509,559 4.292,560 3.071,561 583.52,562 7.352,563 5682.82,564 1,565 1,567 1,568 199.421,569 1.522,570 4.231,571 0.205,572 0.021,573 0.083,574 0.059,575 0.057,576 0.033,577 0.024,578 0.012,579 0.019,580 0.008,581 0.521,582 0.83,583 1,584 0.68,585 86.54,586 -0.061,587 -0.282,588 0.055,589 -0.097,590 -0.068,591 -0.018,592 0.031,593 0.193,594 0.136,595 0.174,596 0.14,597 0.192,598 0.017,599 0.105,600 -0.069,601 -0.044,602 -0.002,603 -0.067,604 0.102,605 -0.191,606 0.043,607 -0.18,608 0.093,609 -0.092,610 -0.249,611 -0.001,612 -0.108,613 0.041,614 -0.201,616 0.081,617 -0.04,618 -0.073,619 -0.043,620 0.095,621 -0.089,622 -0.014,623 -0.069,624 -0.118,625 -0.099,626 -0.072,627 -0.128,628 -0.121,629 -0.149,630 -0.167,631 -0.133,632 -0.133,633 -0.158,634 1.995,635 5.243,636 0.8,637 12.93,638 1.007,639 1.13,640 1.645,641 2.706,642 0.644,643 3.135,644 3.497,645 3.784,646 4.078,647 4.331,648 4.407,649 4.454,650 4.543,651 4.5,652 4.382,653 4.642,654 0.616,655 274.35,656 3.135,657 4.691,658 5.557,659 6.457,660 7.341,661 8.247,662 9.14,663 10.048,664 10.944,665 11.855,666 5.3,669 2,681 3,686 3,688 6,700 1,703 38,705 8,706 1,707 22,709 40,710 15,711 6,712 3,713 3,714 3,717 3,718 4,721 1,729 9,730 6,733 2,737 1,741 3,743 1,744 1,747 18,748 5,749 1,750 5,755 2,760 0.667,761 3,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 2,805 20,809 1,810 4,812 1,815 2,825 7.9,827 1,828 1,830 1,832 10.667,833 7.433,834 4.306,835 2.269,836 1.704,837 1.252,838 0.947,839 3.44,840 8.467,841 3.332,842 3.902,843 4.434,844 4.969,845 5.466,846 5.749,847 5.973,848 6.313,849 6.419,850 6.292,851 0.833,852 34,853 7.425,854 3.193,855 7.825,856 14.184,857 11.766,859 2.325,860 46.5,861 0.001,864 200.109,865 75.636,866 6.249,868 78.828,871 75.636,872 278.937,873 6.249,874 17.222,875 8.423,876 28.429,877 77.776,878 28.863,880 200.109,882 200.109,883 81.884,884 78.828,887 200.109,888 78.828,891 23.497,892 55.631,893 2.757,895 200.109,896 85.077,897 75.636,900 200.109,901 29.985,902 51.899,904 78.828,905 200.109,906 85.077,907 75.636,909 0.595,910 0.351,911 0.193,912 0.11,913 17,914 8,915 0.025,916 1,917 1,918 1.125,919 3.126,920 157.057,921 0.125,922 16,923 82.439,928 13.463,929 5.11,930 2.444,932 85.077,933 4.892,938 1.411,940 42.683,941 360.821,942 27,946 12.243,950 1.238,952 38.254,953 42.946,954 0.296,955 0.635,956 0.788,957 0.852,958 0.852,959 0.852,960 4.61,961 1,962 5.572,963 2.841,964 4.174,965 4.585,966 2.143,967 6.425,968 4.08,969 5.818,970 0.25,971 7.162,972 2.275,973 3.892,974 4.494,975 0.57,976 7.413,977 3.75,978 7.14,979 -0.073,980 8.85,981 0.628,982 5.808,983 6.719,984 2.87,985 10.544,986 5.63,987 8.493,988 -0.322,989 10.596,990 -0.184,991 6.293,992 7.406,993 0.479,994 12.361,995 6.082,996 9.879,997 -0.505,998 12.38,999 -0.785,1000 7.734,1001 9.174,1002 3.82,1003 15.043,1004 7.489,1005 11.289,1006 -1,1007 14.192,1008 -1.178,1009 8.582,1010 10.229,1011 0.346,1012 17.215,1013 8.312,1014 12.718,1015 -1,1016 16.025,1017 -2.832,1018 9.842,1019 11.809,1020 4.828,1021 19.739,1022 9.541,1023 3.259,1024 -1.202,1025 17.875,1026 -3,1027 10.864,1028 13.045,1029 0.237,1030 22.062,1031 10.537,1032 2.742,1033 11.488,1034 19.738,1035 -3.064,1036 12.058,1037 14.542,1038 5.851,1039 24.529,1040 11.702,1041 2.39,1042 9.07,1043 21.613,1044 4.186,1045 13.161,1046 15.87,1047 0.158,1048 26.916,1049 12.778,1050 2.141,1051 6.447,1052 23.497,1053 3.517,1054 14.334,1055 17.328,1056 6.88,1057 29.362,1058 13.922,1059 2,1060 6.236,1061 25.389,1062 2.748,1063 15.474,1064 18.702,1065 0.104,1066 31.777,1067 15.035,1068 1.676,1069 5.601,1070 27.286,1071 2.517,1072 16.644,1073 20.143,1074 7.91,1075 34.218,1076 16.175,1077 1.111,1078 4.906,1079 29.189,1080 2.391,1081 17.802,1082 21.542,1083 0.068,1084 36.646,1085 17.304,1086 3393,1087 5590,1088 14.334,1089 24.466,1090 33.547,1091 34.529,1092 35.196,1093 33.216,1094 33.135,1095 40.201,1096 6.549,1097 98.986,1098 31.538,1099 5.596,1100 5.801,1101 6.316,1102 5.319,1103 5.259,1104 7.186,1105 3.349,1106 19.047,1107 5.156,1108 10.544,1109 1.525,1110 1.569,1111 1.6,1112 1.51,1113 1.506,1114 1.827,1115 0.298,1116 4.499,1117 1.434,1118 4.019,1119 4.04,1120 3.981,1121 3.925,1122 7.433,1123 3.934,1124 3.801,1125 3.864,1126 3.698,1127 3.622,1128 6.471,1129 3.632,1130 3.52,1131 3.555,1132 3.444,1133 3.373,1134 4.769,1135 3.38,1136 3.161,1137 3.262,1138 3.038,1139 2.941,1140 4.392,1141 2.925,1142 3.131,1143 3.206,1144 2.942,1145 2.918,1146 4.111,1147 2.91,1148 3.111,1149 3.159,1150 2.866,1151 2.851,1152 4.084,1153 2.868,1154 2.845,1155 2.906,1156 2.677,1157 2.665,1158 3.769,1159 2.652,1160 2.754,1161 2.787,1162 2.652,1163 2.56,1164 3.474,1165 2.58,1166 0.209,1167 0.173,1168 0.314,1169 0.192,1170 0.148,1171 4.596,1172 0.19,1173 3.801,1174 0.076,1175 6.902,1176 0.522,1177 4.228,1178 0.143,1179 3.259,1180 4.186,1181 1.674,1182 11.488,1183 3.156,1184 1.956,1185 1.942,1186 2.046,1187 2.081,1188 1.306,1189 2.07,1190 1.758,1191 1.692,1192 1.952,1193 1.959,1194 1.138,1195 1.96,1196 1.48,1197 1.441,1198 1.685,1199 1.658,1200 0.825,1201 1.662,1202 1.155,1203 1.064,1204 1.538,1205 1.438,1206 0.785,1207 1.478,1208 1.153,1209 1.052,1210 1.513,1211 1.376,1212 0.635,1213 1.429,1214 1.019,1215 0.983,1216 1.244,1217 1.337,1218 0.321,1219 1.303,1220 0.839,1221 0.774,1222 1.123,1223 1.069,1224 0.177,1225 1.083,1226 0.668,1227 0.642,1228 0.999,1229 0.967,1230 0.142,1231 0.979,1232 3.807,1233 5.153,1235 6.708,1237 8.363,1239 10.07,1241 4.014,1246 9.481,1247 3.524,1249 5.364,1252 4.333,1257 23.402,1258 59.004,1259 126.609,1260 157.157,1261 169.911,1262 169.911,1263 169.911,1264 32.212,1265 6.764,1266 56.92,1267 56.92,1268 18,1269 12.372,1270 3.17,1271 2.585,1272 29.834,1273 55,1274 60,1275 0.278,1276 143.416,1277 255.25,1278 341.694,1279 6548,1281 14.276,1282 0.714,1283 0.586,1284 14.276,1285 11.719,1286 9.559,1287 0.434,1288 0.307,1289 6.638,1290 9.093,1291 6.426,1292 5.315,1293 9.559,1294 6.76,1295 9.012,1296 0.282,1297 0.167,1298 9.012,1299 5.334,1300 7.522,1301 0.175,1302 0.092,1303 7.522,1304 3.94,1305 6.488,1306 0.112,1307 0.047,1308 6.488,1309 2.73,1310 5.203,1311 0.069,1312 0.025,1313 5.203,1314 1.908,1315 0.416,1316 60.594,1317 0.264,1318 19.439,1319 0.826,1320 108,1321 326.911,1322 120.799,1323 308.847,1324 419.01,1325 288,1326 129,1327 308.517,1328 142.468,1329 310.14,1330 457.57,1331 290,1332 6.111}
{0 CHEMBL601651,1 1.524,2 8.19,3 2.293,4 5.259,5 82.31,6 7.034,7 0.261,8 3.816,9 3.932,10 3.334,11 3.295,12 4.883,13 3.281,14 4.384,15 4.58,16 3.727,17 3.699,18 5.416,19 3.675,20 4.608,21 4.786,22 3.851,23 3.917,24 5.636,25 3.86,26 4.788,27 5.011,28 3.851,29 3.932,30 5.837,31 3.851,32 4.804,33 5.014,34 3.619,35 3.786,36 5.908,37 3.712,38 4.564,39 4.809,40 3.437,41 3.608,42 5.67,43 3.498,44 4.354,45 4.582,46 3.106,47 3.427,48 5.381,49 3.296,50 4.258,51 4.54,52 2.689,53 3.191,54 5.135,55 3.001,56 0.032,57 0.586,58 9.236,59 3.807,60 6.646,61 5.121,62 0.274,63 0.955,64 17.886,65 5.88,66 21.737,67 8.521,68 0.292,69 1.165,70 22.101,71 8.248,72 17.239,73 11.305,74 0.269,75 1.242,76 27.529,77 9.902,78 36.119,79 13.931,80 0.712,81 1.117,82 30.085,83 8.596,84 80.73,85 11.487,86 0.503,87 0.935,88 23.084,89 7.312,90 63.314,91 10.513,92 0.268,93 0.774,94 18.285,95 6.022,96 43.224,97 8.483,98 0.365,99 0.65,100 17.457,101 5.212,102 41.249,103 7.72,104 26,105 34,106 0.273,107 0.586,108 0.731,109 0.801,110 0.81,111 0.81,112 3.105,113 0.936,114 -3.12,115 -3.12,116 -3,119 39,120 2,124 1,125 4,135 1,137 1,138 2,139 2,140 2,151 1,163 5,165 1,166 3,171 2,172 6,175 3,176 5,181 2,183 3,187 6,190 1,192 3,194 4,198 4,201 1,205 2,208 2,209 5,212 1,217 1,221 1,231 2,234 1,242 1,252 493,253 13.723,254 13.723,255 13.723,256 13.723,257 13.723,258 12.528,259 21.091,260 7.795,261 14.07,262 11.312,263 11.312,264 11.312,265 11.312,266 11.312,267 9.428,268 30.393,269 3.686,270 11.864,271 3.834,272 2.085,273 1.275,274 0.885,275 0.836,276 0.836,277 3.777,281 1,282 1,283 1,284 367,285 2.121,288 154.921,292 83.463,295 1.265,296 23.712,297 1,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 46,308 172,309 4.651,310 3.809,311 6.993,312 4.278,313 3.308,314 4.295,315 1.674,316 11.82,317 3.207,318 4.134,319 3.168,320 6.382,321 3.786,322 2.827,323 3.591,324 0.8,325 9.646,326 2.71,327 3.527,328 2.99,329 5.295,330 3.347,331 2.407,332 2.787,333 0.8,334 6.495,335 2.261,336 3.484,337 2.634,338 5.245,339 3.159,340 2.178,341 2.627,343 6.454,344 2.126,345 3.306,346 2.379,347 5.026,348 2.984,349 2.06,350 2.426,352 5.901,353 1.889,354 3.057,355 2.281,356 4.787,357 2.668,358 1.706,359 2.144,361 5,362 1.622,363 2.812,364 1.99,365 4.654,366 2.558,367 1.602,368 1.81,370 4.441,371 1.521,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.567,382 0.999,383 3.343,384 1.271,385 0.295,386 0.331,388 0.775,389 0.284,390 1.192,391 0.55,392 3.055,393 0.928,394 -0.035,395 -0.041,397 -0.094,398 -0.033,399 1.058,400 0.211,401 2.664,402 0.713,403 -0.239,404 -0.282,406 -0.613,407 -0.224,408 0.712,409 -0.095,410 2.389,411 0.507,412 -0.464,413 -0.529,415 -1.102,416 -0.44,417 0.642,418 -0.126,419 2.087,420 0.372,421 -0.589,422 -0.694,424 -1.36,425 -0.565,426 0.191,427 -0.43,428 2,429 -0.1,430 -1,431 -1,433 -2.907,434 -0.9,436 -0.6,437 1.678,438 -0.112,439 -1.097,440 -1.333,442 -3,443 -1.067,444 9.8,445 0.467,446 0.703,447 0.033,448 24,449 1.143,450 10,451 0.476,452 14,453 0.667,454 18.561,455 0.884,456 23.8,457 0.58,458 17.439,459 0.83,460 4.824,461 0.23,462 5.145,463 0.245,464 0.221,466 0.439,472 0.841,473 1.513,474 0.832,475 1.232,476 0.722,477 1.059,478 0.818,479 0.937,480 0.761,481 0.78,482 0.45,483 0.732,484 0.837,485 1.072,486 0.992,487 1.131,488 0.738,489 1.088,490 0.735,491 1.186,492 0.824,493 1.204,494 0.708,495 1.056,496 2.043,497 0.887,498 1.36,499 0.887,500 2.095,501 0.998,502 0.975,503 0.929,504 0.983,505 0.948,506 1.091,507 0.97,508 1.263,509 1.166,510 1.276,511 1.198,512 1.636,513 1.24,514 1.169,515 0.842,516 1.18,517 0.884,518 1.255,519 1.02,520 5,521 0.041,522 2.667,523 2.563,524 1.862,525 1.014,526 0.544,527 0.177,528 0.197,529 0.04,530 3779,531 9228,532 2.018,533 48.8,534 6,535 13,538 1,542 1.637,543 1.826,544 2.97,545 -0.291,546 1,547 1,548 1,550 62.466,551 1.524,552 3.273,553 4.083,554 4.473,555 4.522,556 4.522,557 2.489,558 3.975,559 4.363,560 3.075,561 645.74,562 7.503,563 6497.18,564 1,565 1,567 1,568 219.66,569 1.545,570 4.289,571 0.217,572 0.021,573 0.078,574 0.069,575 0.053,576 0.039,577 0.025,578 0.012,579 0.022,580 0.007,581 0.543,582 0.83,583 1,584 0.702,585 92.238,586 -0.051,587 -0.267,588 0.056,589 -0.091,590 -0.07,591 -0.017,592 0.052,593 0.23,594 0.188,595 0.222,596 0.142,597 0.244,598 0.037,599 0.067,600 -0.063,601 -0.082,602 -0.011,603 -0.087,604 0.138,605 -0.208,606 0.128,607 -0.186,608 0.159,609 -0.049,610 -0.359,611 0.017,612 -0.285,613 0.034,614 -0.345,615 -0.098,616 0.113,617 0.004,618 0.016,619 0.003,620 0.135,621 -0.01,622 -0.198,623 -0.207,624 -0.297,625 -0.222,626 -0.233,627 -0.273,628 -0.124,629 0.03,630 -0.174,631 0.025,632 -0.176,633 -0.074,634 1.991,635 5.354,636 0.762,637 13.642,638 1.003,639 1.131,640 1.894,641 3.589,642 0.64,643 3.178,644 3.555,645 3.85,646 4.174,647 4.394,648 4.522,649 4.533,650 4.644,651 4.615,652 4.543,653 4.686,654 0.608,655 288.38,656 3.178,657 4.745,658 5.617,659 6.529,660 7.419,661 8.338,662 9.234,663 10.156,664 11.057,665 11.98,666 4.9,669 2,681 2,686 4,688 6,700 1,703 41,705 8,706 1,707 23,709 43,710 16,711 6,712 4,713 2,714 3,717 3,718 4,721 2,729 9,730 7,733 2,737 1,741 3,743 1,744 1,747 20,748 5,749 1,750 5,755 2,760 0.667,761 3,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 3,805 21,809 1,810 4,812 1,815 2,825 7.3,827 1,828 1,830 1,832 11.5,833 8.35,834 4.5,835 2.471,836 1.717,837 1.25,838 0.944,839 3.675,840 8.586,841 3.367,842 3.961,843 4.503,844 5.073,845 5.541,846 5.889,847 6.043,848 6.412,849 6.526,850 6.513,851 0.833,852 37,853 7.819,854 3.366,855 7.794,856 14.959,857 12.414,859 2.294,860 48.167,861 0.001,864 223.651,865 78.17,866 6.249,868 78.828,871 78.17,872 302.479,873 6.249,874 26.047,875 8.423,876 18.952,877 77.776,878 32.049,880 223.651,882 223.651,883 84.419,884 78.828,887 223.651,888 78.828,891 32.322,892 49.34,893 2.757,895 223.651,896 85.077,897 78.17,900 223.651,901 33.171,902 51.248,904 78.828,905 223.651,906 85.077,907 78.17,909 0.599,910 0.355,911 0.202,912 0.109,913 18,914 9,915 0.023,916 1,917 1,918 1.125,919 3.154,920 170.153,921 0.125,922 16,923 88.239,928 14.419,929 5.353,930 2.537,932 85.077,933 3.486,938 2.124,940 42.683,941 386.898,942 28,946 12.354,950 1.049,952 41.138,953 46.362,954 0.284,955 0.611,956 0.762,957 0.835,958 0.844,959 0.844,960 4.659,961 1,962 5.645,963 4.441,964 4.234,965 4.644,966 2.143,967 6.521,968 4.145,969 5.881,970 0.295,971 7.249,972 2.275,973 4.007,974 4.635,975 0.57,976 7.548,977 3.882,978 7.216,979 -0.035,980 8.951,981 0.775,982 5.889,983 6.813,984 2.87,985 10.696,986 5.723,987 8.58,988 -0.239,989 10.71,990 -0.094,991 6.415,992 7.567,993 0.479,994 12.549,995 6.223,996 9.977,997 -0.464,998 12.507,999 -0.613,1000 7.84,1001 9.309,1002 3.82,1003 15.25,1004 7.612,1005 11.398,1006 -0.589,1007 14.331,1008 -1.102,1009 8.721,1010 10.423,1011 0.346,1012 17.458,1013 8.47,1014 12.838,1015 -1,1016 16.177,1017 -1.36,1018 9.979,1019 11.995,1020 4.828,1021 20.002,1022 9.695,1023 3.308,1024 -1.097,1025 18.04,1026 -2.907,1027 11.026,1028 13.281,1029 0.237,1030 22.357,1031 10.717,1032 2.827,1033 11.82,1034 19.917,1035 -3,1036 12.226,1037 14.783,1038 5.851,1039 24.845,1040 11.887,1041 2.407,1042 9.646,1043 21.805,1044 4.295,1045 13.348,1046 16.152,1047 0.158,1048 27.261,1049 12.983,1050 2.178,1051 6.495,1052 23.702,1053 3.591,1054 14.532,1055 17.624,1056 6.88,1057 29.73,1058 14.137,1059 2.06,1060 6.454,1061 25.607,1062 2.787,1063 15.688,1064 19.034,1065 0.104,1066 32.173,1067 15.265,1068 1.706,1069 5.901,1070 27.517,1071 2.627,1072 16.869,1073 20.493,1074 7.91,1075 34.637,1076 16.418,1077 1.602,1078 5,1079 29.432,1080 2.426,1081 18.042,1082 21.924,1083 0.068,1084 37.092,1085 17.562,1086 3764,1087 5999,1088 14.74,1089 26.228,1090 35.163,1091 36.293,1092 37.26,1093 34.819,1094 34.766,1095 42.022,1096 6.549,1097 105.612,1098 33.172,1099 5.651,1100 5.809,1101 6.407,1102 5.369,1103 5.308,1104 7.295,1105 3.349,1106 19.407,1107 5.207,1108 12.096,1109 1.529,1110 1.578,1111 1.62,1112 1.514,1113 1.512,1114 1.827,1115 0.285,1116 4.592,1117 1.442,1118 4.031,1119 4.05,1120 3.996,1121 3.941,1122 7.433,1123 3.951,1124 3.81,1125 3.874,1126 3.708,1127 3.635,1128 6.469,1129 3.645,1130 3.551,1131 3.594,1132 3.464,1133 3.413,1134 4.759,1135 3.415,1136 3.182,1137 3.276,1138 3.07,1139 2.95,1140 4.405,1141 2.961,1142 3.139,1143 3.206,1144 2.968,1145 2.941,1146 4.218,1147 2.91,1148 3.111,1149 3.173,1150 2.866,1151 2.862,1152 4.052,1153 2.881,1154 3.07,1155 3.143,1156 2.841,1157 2.85,1158 3.785,1159 2.836,1160 2.836,1161 2.882,1162 2.717,1163 2.643,1164 3.53,1165 2.65,1166 0.202,1167 0.166,1168 0.304,1169 0.186,1170 0.144,1171 4.651,1172 0.187,1173 3.809,1174 0.073,1175 6.993,1176 0.514,1177 4.278,1178 0.139,1179 3.308,1180 4.295,1181 1.674,1182 11.82,1183 3.207,1184 1.968,1185 1.956,1186 2.055,1187 2.087,1188 1.308,1189 2.076,1190 1.768,1191 1.703,1192 1.966,1193 1.969,1194 1.174,1195 1.972,1196 1.528,1197 1.482,1198 1.747,1199 1.697,1200 0.875,1201 1.711,1202 1.165,1203 1.069,1204 1.539,1205 1.446,1206 0.825,1207 1.483,1208 1.153,1209 1.064,1210 1.513,1211 1.376,1212 0.64,1213 1.429,1214 1.083,1215 1,1216 1.445,1217 1.36,1218 0.515,1219 1.387,1220 1.009,1221 0.979,1222 1.212,1223 1.317,1224 0.306,1225 1.28,1226 0.793,1227 0.744,1228 1.063,1229 1.048,1230 0.127,1231 1.054,1232 3.85,1233 5.209,1235 6.774,1237 8.442,1239 10.165,1241 5.812,1246 10.2,1247 3.411,1249 5.445,1252 4.287,1257 24.928,1258 62.466,1259 134.173,1260 167.395,1261 183.395,1262 185.395,1263 185.395,1264 37.264,1265 6.869,1266 56.92,1267 56.92,1268 18,1269 12.491,1270 3.17,1271 2.585,1272 31.992,1273 59,1274 65,1275 0.282,1276 153.008,1277 272.55,1278 365.1,1279 7359,1281 15.146,1282 0.721,1283 0.602,1284 15.146,1285 12.641,1286 9.969,1287 0.433,1288 0.312,1289 7.055,1290 9.508,1291 6.77,1292 5.631,1293 9.969,1294 7.176,1295 9.561,1296 0.281,1297 0.171,1298 9.561,1299 5.811,1300 7.831,1301 0.17,1302 0.091,1303 7.831,1304 4.171,1305 7.202,1306 0.113,1307 0.047,1308 7.202,1309 3.008,1310 5.283,1311 0.066,1312 0.025,1313 5.283,1314 2.013,1315 0.42,1316 63.058,1317 0.26,1318 20.196,1319 0.843,1320 114,1321 334.911,1322 126.799,1323 317.647,1324 432.18,1325 296,1326 137,1327 319.517,1328 150.801,1329 322.863,1330 477.42,1331 301,1332 5.947}
{0 CHEMBL601652,1 1.627,2 9.833,3 1.497,4 2.241,5 87.957,6 7.866,7 0.231,8 3.861,9 3.956,10 3.452,11 3.329,12 5.082,13 3.347,14 4.382,15 4.537,16 3.852,17 3.714,18 5.603,19 3.725,20 4.656,21 4.82,22 3.998,23 3.92,24 5.86,25 3.914,26 4.784,27 4.948,28 4.014,29 3.962,30 6.102,31 3.935,32 4.856,33 5.038,34 3.769,35 3.88,36 6.069,37 3.819,38 4.714,39 4.971,40 3.583,41 3.681,42 5.916,43 3.581,44 4.42,45 4.655,46 3.323,47 3.453,48 5.521,49 3.374,50 4.209,51 4.416,52 3.303,53 3.269,54 5.604,55 3.217,56 0.141,57 0.592,58 8.053,59 3.783,60 20.441,61 4.475,62 0.401,63 0.955,64 15.605,65 5.781,66 29.285,67 7.505,68 0.55,69 1.183,70 21.503,71 7.931,72 57.964,73 9.942,74 0.763,75 1.25,76 25.191,77 9.353,78 99.955,79 11.81,80 1.012,81 1.222,82 29.93,83 9.472,84 134.94,85 11.576,86 0.855,87 1.07,88 27.982,89 8.393,90 119.042,91 12.159,92 0.563,93 0.81,94 20.179,95 6.171,96 74.512,97 8.412,98 0.526,99 0.651,100 15.622,101 5.167,102 75.044,103 6.978,104 39,105 38,106 0.287,107 0.647,108 0.754,109 0.788,110 0.838,111 0.838,112 3.229,113 0.874,114 -2.35,115 -2.38,116 -2.34,119 40.5,120 1,125 4,133 1,134 1,135 1,137 1,138 2,139 1,140 3,151 2,163 3,165 2,166 5,171 4,172 4,175 3,176 6,181 1,183 2,187 5,190 2,191 1,192 3,194 2,197 1,198 4,201 1,203 1,208 2,209 4,212 2,214 1,221 1,224 1,227 1,230 2,231 6,234 1,238 3,242 2,249 2,252 784,253 15.801,254 15.801,255 15.801,256 15.801,257 15.801,258 14.422,259 22.442,260 8.932,261 16.158,262 12.701,263 12.701,264 12.701,265 12.701,266 12.701,267 10.407,268 30.708,269 4.099,270 13.274,271 3.766,272 1.724,273 1.113,274 0.923,275 0.637,276 0.637,277 3.903,281 1,282 1,283 1,284 497,285 2.915,288 192.346,292 104.237,295 1.5,296 39.794,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 54,308 236,309 4.651,310 3.81,311 6.993,312 4.278,313 3.308,314 4.295,315 1.674,316 11.821,317 3.204,318 4.139,319 3.612,320 6.384,321 3.82,322 2.868,323 3.592,324 1.2,325 9.655,326 2.728,327 3.957,328 3.173,329 6.01,330 3.672,331 2.705,332 3.16,333 0.8,334 8.484,335 2.609,336 3.509,337 2.937,338 5.295,339 3.149,340 2.189,341 2.784,342 0.293,343 6.454,344 2.092,345 3.403,346 2.501,347 5.16,348 3.081,349 2.145,350 2.608,352 6.191,353 1.992,354 3.136,355 2.315,356 4.92,357 2.786,358 1.818,359 2.229,361 5.314,362 1.742,363 3.009,364 2.22,365 4.659,366 2.59,367 1.628,368 2.054,370 4.467,371 1.549,372 2.622,373 1.958,374 4.121,375 2.329,376 1.361,377 1.563,379 3.446,380 1.305,381 2.081,382 1.146,383 3.414,384 1.967,385 1,386 1,388 2.275,389 0.965,390 2,391 0.99,392 3.336,393 1.318,394 0.319,395 0.449,397 0.699,398 0.314,399 1.54,400 0.763,401 3.055,402 1.13,403 0.119,404 0.169,406 0.202,407 0.118,408 1.178,409 0.528,410 2.675,411 0.902,412 -0.048,413 -0.056,415 -0.129,416 -0.046,417 1.032,418 0.228,419 2.519,420 0.674,421 -0.29,422 -0.371,424 -0.743,425 -0.276,426 0.704,427 -0.07,428 2.256,429 0.333,430 -0.574,431 -0.662,433 -1.344,434 -0.506,435 0.524,436 -0.204,437 2.049,438 0.315,439 -0.694,440 -0.812,442 -1.63,443 -0.694,444 10.967,445 0.457,446 0.754,447 0.031,448 29.5,449 1.229,450 13.5,451 0.563,452 16,453 0.667,454 19.33,455 0.805,456 26.833,457 0.639,458 24.054,459 1.002,460 6.119,461 0.255,462 5.299,463 0.221,464 0.213,466 0.438,472 0.851,473 1.421,474 0.756,475 1.142,476 0.754,477 0.961,478 0.706,479 1.115,480 0.72,481 0.933,482 0.496,483 0.823,484 0.925,485 0.986,486 0.904,487 0.994,488 0.806,489 0.939,490 0.868,491 1.191,492 0.984,493 1.224,494 0.939,495 1.149,496 1.49,497 1.066,498 1.384,499 1.086,500 1.491,501 1.202,502 0.69,503 0.879,504 0.861,505 0.887,506 0.652,507 0.915,508 1.032,509 0.83,510 1.033,511 0.862,512 1.102,513 0.928,514 0.739,515 1.019,516 0.871,517 1.053,518 0.819,519 1.014,520 5.5,521 0.087,522 3.333,523 2.813,524 1.942,525 1.167,526 0.584,527 0.333,528 0.271,529 0.161,530 5642,531 18673,532 1.991,533 42.9,534 3,535 13,538 2,542 1.671,543 1.8,544 3.207,545 0.337,546 1,547 1,548 1,550 68.322,551 1.627,552 3.668,553 4.279,554 4.47,555 4.755,556 4.755,557 2.709,558 3.97,559 4.552,560 3.355,561 926.092,562 7.867,563 10447.4,564 1,565 1,567 1,568 226.477,569 1.555,570 4.478,571 0.212,572 0.009,573 0.088,574 0.065,575 0.047,576 0.039,577 0.023,578 0.017,579 0.014,580 0.012,581 0.525,582 0.5,583 1,584 1.073,585 112.42,586 -0.11,587 -0.218,588 0.018,589 -0.046,590 -0.108,591 0.004,592 0.057,593 0.056,594 0.139,595 0.07,596 0.099,597 0.127,598 -0.056,599 0.119,600 -0.009,601 0.006,602 -0.033,603 0.015,604 0.081,605 -0.178,606 -0.058,607 -0.211,608 0.039,609 -0.175,610 -0.281,611 -0.142,612 -0.373,613 -0.127,614 -0.306,615 -0.26,616 0.167,617 0.019,618 0.176,619 0.055,620 0.174,621 0.105,622 -0.106,623 0.1,624 -0.016,625 0.086,626 -0.135,627 0.067,628 0.227,629 -0.092,630 0.129,631 -0.076,632 0.201,633 -0.016,634 2.2,635 5.379,636 0.667,637 19.611,638 1.022,639 1.128,640 1.118,641 1.25,642 0.652,643 3.296,644 3.664,645 3.97,646 4.263,647 4.466,648 4.625,649 4.691,650 4.836,651 4.796,652 4.82,653 5.559,654 0.639,655 330.37,656 3.296,657 4.86,658 5.733,659 6.64,660 7.529,661 8.443,662 9.338,663 10.256,664 11.155,665 12.075,666 4.8,669 1,673 1,681 2,686 4,688 6,700 2,703 42,705 10,706 1,707 26,709 44,710 17,711 6,712 4,713 2,714 6,717 3,718 4,721 1,729 12,730 5,733 4,734 1,737 2,739 1,741 4,743 1,744 1,747 18,748 7,749 2,750 7,755 2,760 0.667,761 5,776 3,780 1,784 1,786 1,787 1,788 2,789 1,792 1,796 2,801 1,805 24,809 2,810 4,812 1,815 2,825 11.9,827 2,828 2,830 1,832 13.333,833 7.8,834 5.278,835 2.413,836 1.846,837 1.258,838 0.918,839 4.452,840 9,841 3.526,842 4.086,843 4.627,844 5.134,845 5.579,846 5.932,847 6.116,848 6.503,849 6.623,850 6.697,851 0.857,852 43,853 8.929,854 3.93,855 8.16,856 16.39,857 13.479,859 2.66,860 63.833,864 188.338,865 87.711,866 6.249,868 146.656,871 87.711,872 334.994,873 6.249,874 8.825,875 27.314,876 28.429,877 150.309,878 25.739,880 188.338,882 188.338,883 93.96,884 146.656,887 188.338,888 146.656,891 23.497,892 58.23,893 12.233,895 188.338,896 152.905,897 87.711,900 188.338,901 34.69,902 43.503,904 162.423,905 188.338,906 152.905,907 87.711,909 0.594,910 0.363,911 0.198,912 0.099,913 19,914 10,915 0.045,916 2,917 1,918 1.125,919 3.416,920 201.181,921 0.125,922 16,923 106.039,928 16.706,929 6.396,930 2.991,932 152.905,933 2.508,938 0.214,940 85.367,941 428.954,942 33,943 3.474,946 24.027,948 1.274,950 0.287,952 42.909,953 47.365,954 0.302,955 0.68,956 0.794,957 0.829,958 0.882,959 0.882,960 4.808,961 1.361,962 5.759,963 4.467,964 4.344,965 4.771,966 2.346,967 6.635,968 4.258,969 6.026,970 1,971 7.367,972 3.446,973 4.111,974 4.745,975 0.57,976 7.673,977 3.985,978 7.356,979 0.319,980 9.073,981 2.275,982 6.004,983 6.923,984 3.031,985 10.805,986 5.838,987 8.717,988 0.119,989 10.836,990 0.699,991 6.538,992 7.67,993 0.801,994 12.651,995 6.342,996 10.11,997 -0.048,998 12.634,999 0.202,1000 7.959,1001 9.393,1002 3.913,1003 15.333,1004 7.724,1005 11.526,1006 -0.29,1007 14.457,1008 -0.129,1009 8.842,1010 10.496,1011 1.074,1012 17.526,1013 8.58,1014 12.96,1015 -0.574,1016 16.3,1017 -0.743,1018 10.092,1019 12.052,1020 4.876,1021 20.055,1022 9.794,1023 3.308,1024 -0.694,1025 18.158,1026 -1.344,1027 11.133,1028 13.328,1029 1.404,1030 22.398,1031 10.808,1032 2.868,1033 11.821,1034 20.029,1035 -1.63,1036 12.325,1037 14.818,1038 5.875,1039 24.876,1040 11.966,1041 2.705,1042 9.655,1043 21.909,1044 4.295,1045 13.439,1046 16.18,1047 1.768,1048 27.284,1049 13.052,1050 2.189,1051 8.484,1052 23.798,1053 3.592,1054 14.613,1055 17.645,1056 6.892,1057 29.748,1058 14.195,1059 2.145,1060 6.454,1061 25.695,1062 3.16,1063 15.761,1064 19.05,1065 2.15,1066 32.186,1067 15.314,1068 1.818,1069 6.191,1070 27.597,1071 2.784,1072 16.935,1073 20.505,1074 7.916,1075 34.647,1076 16.457,1077 1.628,1078 5.314,1079 29.504,1080 2.608,1081 18.101,1082 21.933,1083 2.538,1084 37.099,1085 17.593,1086 5644,1087 10366,1088 16.531,1089 27.375,1090 40.168,1091 41.456,1092 42.387,1093 39.088,1094 38.919,1095 47.804,1096 7.934,1097 118.015,1098 37.237,1099 5.651,1100 5.81,1101 6.537,1102 5.369,1103 5.308,1104 7.295,1105 3.349,1106 19.408,1107 5.204,1108 14.894,1109 1.545,1110 1.594,1111 1.63,1112 1.503,1113 1.497,1114 1.839,1115 0.305,1116 4.539,1117 1.432,1118 4.025,1119 4.042,1120 3.993,1121 3.923,1122 7.434,1123 3.937,1124 3.828,1125 3.876,1126 3.748,1127 3.647,1128 7.428,1129 3.664,1130 3.583,1131 3.612,1132 3.528,1133 3.439,1134 6.493,1135 3.452,1136 3.426,1137 3.472,1138 3.307,1139 3.282,1140 6.446,1141 3.276,1142 3.157,1143 3.206,1144 3.058,1145 2.941,1146 4.704,1147 2.921,1148 3.111,1149 3.182,1150 2.866,1151 2.883,1152 4.652,1153 2.91,1154 2.941,1155 3.009,1156 2.805,1157 2.694,1158 4.315,1159 2.704,1160 2.921,1161 2.951,1162 2.781,1163 2.631,1164 4.024,1165 2.664,1166 0.179,1167 0.147,1168 0.269,1169 0.165,1170 0.127,1171 4.651,1172 0.165,1173 3.81,1174 0.064,1175 6.993,1176 0.455,1177 4.278,1178 0.123,1179 3.308,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.03,1187 2.082,1188 1.298,1189 2.065,1190 1.767,1191 1.712,1192 1.932,1193 1.965,1194 1.128,1195 1.955,1196 1.533,1197 1.501,1198 1.716,1199 1.708,1200 0.825,1201 1.705,1202 1.415,1203 1.365,1204 1.659,1205 1.593,1206 0.771,1207 1.614,1208 1.153,1209 1.064,1210 1.513,1211 1.376,1212 0.543,1213 1.429,1214 1.043,1215 1.01,1216 1.273,1217 1.36,1218 0.361,1219 1.332,1220 0.86,1221 0.808,1222 1.099,1223 1.173,1224 0.171,1225 1.149,1226 0.799,1227 0.747,1228 1.051,1229 1.144,1230 0.089,1231 1.103,1232 3.97,1233 5.323,1235 6.884,1237 8.547,1239 10.262,1241 1.729,1246 19.626,1247 1.914,1249 5.27,1252 3.511,1257 26.831,1258 68.322,1259 154.059,1260 179.722,1261 187.722,1262 199.722,1263 199.722,1264 59.194,1265 7.155,1266 94.22,1267 94.22,1268 18,1269 12.587,1270 3.459,1271 3,1272 39.245,1273 78,1274 92,1275 0.252,1276 164.738,1277 302.15,1278 393.721,1279 10766,1281 17.43,1282 0.726,1283 0.553,1284 17.43,1285 13.281,1286 11.418,1287 0.439,1288 0.291,1289 7.434,1290 10.83,1291 7.268,1292 5.975,1293 11.418,1294 7.577,1295 10.601,1296 0.279,1297 0.15,1298 10.601,1299 5.718,1300 9.036,1301 0.174,1302 0.082,1303 9.036,1304 4.275,1305 7.963,1306 0.114,1307 0.044,1308 7.963,1309 3.11,1310 5.667,1311 0.066,1312 0.023,1313 5.667,1314 1.986,1315 0.385,1316 72.783,1317 0.246,1318 23.028,1319 0.719,1320 128,1321 442.796,1322 145.783,1323 415.472,1324 552.81,1325 384,1326 154,1327 400.24,1328 171.955,1329 398.238,1330 588.39,1331 374,1332 5.373}
{0 CHEMBL601653,1 1.572,2 8.727,3 1.791,4 3.207,5 83.732,6 7.247,7 0.25,8 3.852,9 3.959,10 3.391,11 3.292,12 4.953,13 3.297,14 4.415,15 4.602,16 3.768,17 3.681,18 5.479,19 3.68,20 4.612,21 4.78,22 3.902,23 3.904,24 5.667,25 3.871,26 4.786,27 4.987,28 3.92,29 3.949,30 5.903,31 3.881,32 4.846,33 5.064,34 3.72,35 3.822,36 5.938,37 3.756,38 4.625,39 4.846,40 3.547,41 3.622,42 5.815,43 3.546,44 4.399,45 4.624,46 3.251,47 3.472,48 5.426,49 3.365,50 4.297,51 4.531,52 2.85,53 3.249,54 5.305,55 3.091,56 0.069,57 0.593,58 9.253,59 3.825,60 8.092,61 5.013,62 0.394,63 0.945,64 18.482,65 5.738,66 27.462,67 8.115,68 0.395,69 1.146,70 21.88,71 8.022,72 20.504,73 10.734,74 0.533,75 1.239,76 27.055,77 9.772,78 46.136,79 13.609,80 0.763,81 1.153,82 31.187,83 8.984,84 79.795,85 12.29,86 0.787,87 0.939,88 24.997,89 7.241,90 85.739,91 10.156,92 0.395,93 0.791,94 19.206,95 6.22,96 41.023,97 8.734,98 0.43,99 0.666,100 17.858,101 5.396,102 51.957,103 7.659,104 27,105 35,106 0.28,107 0.595,108 0.764,109 0.807,110 0.815,111 0.815,112 3.148,113 0.911,114 -2.62,115 -2.64,116 -2.57,119 38.1,120 1,124 2,125 4,135 1,137 1,138 2,139 1,140 3,151 1,163 2,165 1,166 5,171 2,172 4,175 3,176 4,181 1,183 2,186 1,187 6,190 2,192 2,194 2,198 4,201 1,208 3,209 4,212 1,220 1,231 2,234 1,252 548,253 14.593,254 14.593,255 14.593,256 14.593,257 14.593,258 13.451,259 22.979,260 8.302,261 15.119,262 11.74,263 11.74,264 11.74,265 11.74,266 11.74,267 9.851,268 33.284,269 3.84,270 12.478,271 3.82,272 2.053,273 1.102,274 0.863,275 0.816,276 0.816,277 3.822,281 1,282 1,283 1,284 408,285 2.345,288 165.735,292 89.047,295 1.479,296 26.987,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 49,308 192,309 4.653,310 3.81,311 6.993,312 4.278,313 3.309,314 4.298,315 1.674,316 11.824,317 3.204,318 4.144,319 3.191,320 6.386,321 3.79,322 2.837,323 3.602,324 0.86,325 9.668,326 2.7,327 3.575,328 2.994,329 5.388,330 3.355,331 2.423,332 2.84,333 0.8,334 6.884,335 2.252,336 3.486,337 2.71,338 5.267,339 3.187,340 2.241,341 2.632,342 0.8,343 6.484,344 2.11,345 3.325,346 2.553,347 5.113,348 2.993,349 2.08,350 2.43,352 6.085,353 1.887,354 3.063,355 2.281,356 4.794,357 2.668,358 1.708,359 2.153,361 5.025,362 1.622,363 2.822,364 2.053,365 4.72,366 2.579,367 1.636,368 1.82,370 4.562,371 1.529,372 2,373 1.146,374 3.414,375 1.967,376 1,377 1,379 2.275,380 0.965,381 1.722,382 1.052,383 3.405,384 1.407,385 0.514,386 0.581,388 1.006,389 0.45,390 1.395,391 0.989,392 3.116,393 1.172,394 0.227,395 0.244,397 0.466,398 0.212,399 1.19,400 0.54,401 2.735,402 0.858,403 -0.087,404 -0.104,406 -0.222,407 -0.081,408 0.987,409 0.164,410 2.55,411 0.668,412 -0.267,413 -0.313,415 -0.663,416 -0.247,417 0.65,418 -0.1,419 2.318,420 0.505,421 -0.465,422 -0.53,424 -1.103,425 -0.444,426 0.582,427 -0.258,428 2,429 0.152,430 -0.806,431 -1,433 -1.896,434 -0.75,435 0.019,436 -0.532,437 1.857,438 -0.1,439 -1,440 -1.002,442 -3,443 -0.9,444 10.133,445 0.461,446 0.665,447 0.03,448 25.5,449 1.159,450 10.5,451 0.477,452 15,453 0.682,454 18.898,455 0.859,456 25.267,457 0.602,458 19.366,459 0.88,460 5.268,461 0.239,462 5.239,463 0.238,464 0.214,466 0.424,472 0.867,473 1.584,474 0.8,475 1.3,476 0.726,477 1.074,478 0.986,479 0.913,480 0.789,481 0.742,482 0.523,483 0.693,484 0.897,485 1.037,486 0.958,487 1.081,488 0.766,489 1.031,490 0.589,491 1.237,492 0.841,493 1.267,494 0.691,495 1.134,496 1.518,497 0.948,498 1.168,499 0.948,500 1.769,501 0.984,502 1.172,503 0.892,504 1.08,505 0.907,506 1.314,507 0.971,508 1.058,509 1.044,510 1.136,511 1.1,512 1.258,513 1.135,514 1.263,515 1.173,516 1.374,517 1.212,518 1.746,519 1.321,520 5,521 0.049,522 2.667,523 2.563,524 1.982,525 1.076,526 0.646,527 0.205,528 0.197,529 0.04,530 4312,531 11525,532 2.017,533 47.6,534 3,535 16,538 1,542 1.65,543 1.833,544 3.057,545 -0.265,546 1,547 1,548 1,550 66.039,551 1.572,552 3.339,553 4.291,554 4.529,555 4.576,556 4.576,557 2.699,558 3.88,559 4.427,560 3.169,561 732.111,562 7.631,563 7631.46,564 1,565 1,567 1,568 226.477,569 1.544,570 4.36,571 0.208,572 0.012,573 0.076,574 0.066,575 0.054,576 0.037,577 0.027,578 0.011,579 0.02,580 0.005,581 0.516,582 0.5,583 1,584 0.891,585 98.729,586 -0.065,587 -0.325,588 0.06,589 -0.145,590 -0.065,591 -0.038,592 -0.04,593 0.244,594 0.161,595 0.252,596 0.113,597 0.267,598 -0.018,599 0.115,600 -0.044,601 -0.022,602 -0.017,603 -0.034,604 0.243,605 -0.221,606 0.089,607 -0.221,608 0.185,609 -0.114,610 -0.226,611 -0.04,612 -0.134,613 -0.011,614 -0.242,615 -0.049,616 0.054,617 0.032,618 -0.055,619 0.03,620 0.083,621 -0.031,622 -0.101,623 -0.081,624 -0.168,625 -0.115,626 -0.121,627 -0.153,628 -0.179,629 -0.274,630 -0.378,631 -0.262,632 -0.322,633 -0.362,634 2.04,635 5.401,636 0.727,637 15.62,638 1.011,639 1.133,640 1.39,641 1.933,642 0.635,643 3.219,644 3.584,645 3.892,646 4.205,647 4.443,648 4.575,649 4.635,650 4.71,651 4.745,652 4.644,653 4.946,654 0.611,655 304.38,656 3.219,657 4.779,658 5.652,659 6.561,660 7.453,661 8.369,662 9.269,663 10.189,664 11.092,665 12.014,666 4.8,669 2,681 2,686 4,688 6,700 1,701 1,703 42,705 8,706 1,707 24,709 44,710 16,711 6,712 4,713 2,714 3,717 3,718 4,721 1,729 9,730 7,733 2,737 1,741 3,743 1,744 1,747 20,748 6,749 1,750 6,755 2,760 0.667,761 4,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 3,805 22,809 1,810 4,812 2,815 2,825 9.5,827 1,828 1,830 2,832 12,833 8.517,834 4.833,835 2.429,836 1.712,837 1.246,838 0.932,839 4.123,840 8.677,841 3.401,842 3.98,843 4.535,844 5.101,845 5.584,846 5.94,847 6.16,848 6.474,849 6.658,850 6.599,851 1,852 39,853 8.176,854 3.498,855 7.848,856 15.493,857 12.658,859 2.348,860 51.667,864 223.651,865 82.286,866 6.249,868 89.828,871 82.286,872 313.479,873 6.249,874 28.105,875 8.423,876 18.952,877 77.776,878 45.106,880 223.651,882 223.651,883 88.535,884 89.828,887 223.651,888 89.828,891 23.497,892 62.281,893 2.757,895 223.651,896 96.077,897 82.286,900 223.651,901 35.229,902 53.306,904 89.828,905 223.651,906 96.077,907 82.286,909 0.592,910 0.359,911 0.201,912 0.111,913 18,914 9,915 0.045,916 2,917 1,918 1.125,919 3.247,920 180.503,921 0.125,922 16,923 94.107,928 15.342,929 5.912,930 2.75,932 96.077,933 3.153,938 1.428,940 42.683,941 402.014,942 29,946 12.401,950 0.916,952 42.465,953 47.571,954 0.292,955 0.619,956 0.796,957 0.84,958 0.849,959 0.849,960 4.687,961 1,962 5.673,963 4.562,964 4.263,965 4.663,966 2.303,967 6.547,968 4.153,969 5.901,970 0.514,971 7.276,972 2.275,973 4.007,974 4.635,975 0.57,976 7.576,977 3.857,978 7.232,979 0.227,980 8.977,981 1.006,982 5.916,983 6.828,984 2.93,985 10.719,986 5.719,987 8.596,988 -0.087,989 10.735,990 0.466,991 6.431,992 7.579,993 0.479,994 12.57,995 6.207,996 9.993,997 -0.267,998 12.531,999 -0.222,1000 7.864,1001 9.323,1002 3.838,1003 15.266,1004 7.602,1005 11.414,1006 -0.465,1007 14.354,1008 -0.663,1009 8.74,1010 10.435,1011 0.346,1012 17.471,1013 8.455,1014 12.854,1015 -0.806,1016 16.198,1017 -1.103,1018 9.999,1019 12.008,1020 4.832,1021 20.012,1022 9.682,1023 3.309,1024 -1,1025 18.059,1026 -1.896,1027 11.043,1028 13.294,1029 0.237,1030 22.366,1031 10.703,1032 2.837,1033 11.824,1034 19.934,1035 -3,1036 12.243,1037 14.795,1038 5.852,1039 24.852,1040 11.873,1041 2.423,1042 9.668,1043 21.82,1044 4.298,1045 13.363,1046 16.164,1047 0.158,1048 27.268,1049 12.968,1050 2.241,1051 6.884,1052 23.716,1053 3.602,1054 14.546,1055 17.635,1056 6.88,1057 29.737,1058 14.123,1059 2.08,1060 6.484,1061 25.618,1062 2.84,1063 15.701,1064 19.046,1065 0.104,1066 32.179,1067 15.251,1068 1.708,1069 6.085,1070 27.527,1071 2.632,1072 16.882,1073 20.505,1074 7.91,1075 34.643,1076 16.403,1077 1.636,1078 5.025,1079 29.441,1080 2.43,1081 18.055,1082 21.936,1083 0.068,1084 37.098,1085 17.547,1086 4306,1087 7171,1088 15.433,1089 26.682,1090 36.204,1091 37.672,1092 38.86,1093 35.959,1094 35.949,1095 43.2,1096 8.269,1097 108.558,1098 33.865,1099 5.653,1100 5.81,1101 6.528,1102 5.371,1103 5.309,1104 7.298,1105 3.349,1106 19.412,1107 5.204,1108 12.595,1109 1.509,1110 1.57,1111 1.619,1112 1.498,1113 1.498,1114 1.8,1115 0.345,1116 4.523,1117 1.411,1118 4.026,1119 4.042,1120 3.995,1121 3.925,1122 7.433,1123 3.939,1124 3.805,1125 3.866,1126 3.706,1127 3.623,1128 6.469,1129 3.635,1130 3.54,1131 3.572,1132 3.463,1133 3.381,1134 4.849,1135 3.391,1136 3.221,1137 3.295,1138 3.088,1139 2.943,1140 4.544,1141 2.96,1142 3.15,1143 3.24,1144 3.008,1145 2.941,1146 4.37,1147 2.91,1148 3.13,1149 3.206,1150 2.896,1151 2.891,1152 4.074,1153 2.896,1154 3.111,1155 3.162,1156 2.866,1157 2.853,1158 3.909,1159 2.865,1160 2.874,1161 2.916,1162 2.743,1163 2.657,1164 3.765,1165 2.664,1166 0.194,1167 0.159,1168 0.291,1169 0.178,1170 0.138,1171 4.653,1172 0.179,1173 3.81,1174 0.07,1175 6.993,1176 0.493,1177 4.278,1178 0.134,1179 3.309,1180 4.298,1181 1.674,1182 11.824,1183 3.204,1184 1.951,1185 1.942,1186 2.035,1187 2.082,1188 1.306,1189 2.068,1190 1.758,1191 1.694,1192 1.943,1193 1.962,1194 1.137,1195 1.959,1196 1.489,1197 1.452,1198 1.696,1199 1.686,1200 0.825,1201 1.684,1202 1.174,1203 1.09,1204 1.548,1205 1.48,1206 0.794,1207 1.502,1208 1.153,1209 1.064,1210 1.533,1211 1.425,1212 0.636,1213 1.468,1214 1.14,1215 1.041,1216 1.513,1217 1.376,1218 0.563,1219 1.429,1220 1.015,1221 0.985,1222 1.232,1223 1.338,1224 0.32,1225 1.297,1226 0.818,1227 0.769,1228 1.07,1229 1.092,1230 0.149,1231 1.081,1232 3.892,1233 5.242,1235 6.804,1237 8.469,1239 10.191,1241 5.411,1246 10.251,1247 3.325,1249 10.529,1252 4.251,1257 25.643,1258 66.039,1259 140.236,1260 180.213,1261 190.213,1262 192.213,1263 192.213,1264 40.497,1265 6.965,1266 66.15,1267 66.15,1268 18,1269 12.525,1270 3.17,1271 2.585,1272 34.302,1273 66,1274 70,1275 0.273,1276 157.004,1277 281.34,1278 374.85,1279 8268,1281 15.853,1282 0.721,1283 0.593,1284 15.853,1285 13.05,1286 10.507,1287 0.438,1288 0.304,1289 7.125,1290 9.889,1291 6.869,1292 5.7,1293 10.507,1294 7.289,1295 9.73,1296 0.278,1297 0.162,1298 9.73,1299 5.673,1300 8.271,1301 0.172,1302 0.088,1303 8.271,1304 4.236,1305 7.337,1306 0.111,1307 0.045,1308 7.337,1309 2.967,1310 5.64,1311 0.067,1312 0.024,1313 5.64,1314 2.019,1315 0.41,1316 67.402,1317 0.255,1318 21.136,1319 0.809,1320 118,1321 382.647,1322 133.677,1323 355.092,1324 479.98,1325 332,1326 142,1327 350.062,1328 158.458,1329 351.685,1330 518.84,1331 327,1332 6.41}
{0 CHEMBL602268,1 1.565,2 10.857,3 3.195,4 10.211,5 105.925,6 7.649,7 0.387,8 4.036,9 4.132,10 3.617,11 3.523,12 5.195,13 3.532,14 4.567,15 4.723,16 4.002,17 3.915,18 5.698,19 3.915,20 4.812,21 4.976,22 4.153,23 4.118,24 5.909,25 4.096,26 4.943,27 5.111,28 4.187,29 4.183,30 6.134,31 4.139,32 5.088,33 5.279,34 3.998,35 4.166,36 6.173,37 4.089,38 5.016,39 5.27,40 3.804,41 4.023,42 6.094,43 3.891,44 4.779,45 5.053,46 3.503,47 3.79,48 5.686,49 3.652,50 4.511,51 4.769,52 3.491,53 3.585,54 5.487,55 3.504,56 0.109,57 0.696,58 10.078,59 4.67,60 13.75,61 5.59,62 0.389,63 1.14,64 19.544,65 7.251,66 30.531,67 9.285,68 0.527,69 1.42,70 25.419,71 9.626,72 34.266,73 12.272,74 0.611,75 1.545,76 29.297,77 11.534,78 65.084,79 14.931,80 0.949,81 1.637,82 37.523,83 12.458,84 102.636,85 15.543,86 0.951,87 1.521,88 36.961,89 12.029,90 114.138,91 17.04,92 0.596,93 1.204,94 29.7,95 9.534,96 71.593,97 13.699,98 0.413,99 0.93,100 22.111,101 7.249,102 42.982,103 10.231,104 27,105 45,106 0.264,107 0.593,108 0.732,109 0.805,110 0.852,111 0.852,112 3.375,113 0.882,114 -2.79,115 -2.8,116 -2.71,119 42,120 1,124 1,125 4,135 1,137 1,138 6,139 1,140 5,151 1,163 5,165 1,166 5,171 4,172 6,175 4,176 8,181 1,183 3,187 7,190 2,191 1,192 3,194 2,198 4,201 1,203 1,208 3,209 5,212 2,214 1,221 1,224 1,227 1,231 5,234 1,238 4,241 2,242 6,249 5,252 1132,253 18.87,254 18.87,255 18.87,256 18.87,257 18.87,258 16.947,259 26.529,260 10.827,261 19.42,262 15.205,263 15.205,264 15.205,265 15.205,266 15.205,267 12.216,268 38.215,269 4.996,270 16.021,271 4.079,272 2.126,273 1.3,274 0.87,275 0.59,276 0.59,277 4.069,281 1,282 1,283 1,284 659,285 2.55,288 316.654,292 124.168,295 1.724,296 35.163,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 62,308 304,309 4.651,310 3.81,311 6.993,312 4.278,313 3.309,314 4.295,315 1.674,316 11.821,317 3.204,318 4.295,319 3.286,320 6.501,321 3.962,322 3.018,323 3.862,324 0.86,325 10.168,326 2.846,327 4.128,328 3.173,329 6.377,330 3.758,331 2.8,332 3.59,333 0.8,334 9.63,335 2.677,336 3.515,337 2.927,338 5.297,339 3.228,340 2.286,341 2.787,342 0.8,343 6.501,344 2.148,345 3.461,346 2.564,347 5.287,348 3.131,349 2.175,350 2.627,352 6.454,353 2.064,354 3.307,355 2.421,356 5.105,357 2.961,358 2.042,359 2.479,361 6.013,362 1.868,363 3.071,364 2.284,365 4.89,366 2.691,367 1.732,368 2.174,370 5.174,371 1.646,372 2.917,373 2.027,374 4.658,375 2.565,376 1.614,377 2.085,379 4.457,380 1.522,381 2.916,382 1.681,383 4.027,384 2.46,385 1.492,386 1.963,388 3.327,389 1.437,390 2.447,391 1.255,392 3.602,393 2.093,394 1.119,395 1.43,397 2.786,398 1.087,399 2,400 1.146,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.666,409 0.961,410 3.338,411 1.383,412 0.496,413 0.561,415 0.848,416 0.434,417 1.53,418 0.937,419 3.056,420 1.185,421 0.226,422 0.262,424 0.557,425 0.213,426 1.181,427 0.515,428 2.765,429 0.908,430 -0.042,431 -0.049,433 -0.112,434 -0.039,435 1.045,436 0.228,437 2.658,438 0.688,439 -0.263,440 -0.323,442 -0.66,443 -0.247,444 12.967,445 0.463,446 0.768,447 0.027,448 36.25,449 1.295,450 17.5,451 0.625,452 18.75,453 0.67,454 23.713,455 0.847,456 30.833,457 0.617,458 28.743,459 1.027,460 7.387,461 0.264,462 6.103,463 0.218,464 0.154,466 0.409,472 0.899,473 1.362,474 0.772,475 1.125,476 0.803,477 0.955,478 0.903,479 1.064,480 0.785,481 0.876,482 0.532,483 0.795,484 0.893,485 0.999,486 0.911,487 0.986,488 0.794,489 0.947,490 0.729,491 1.277,492 0.94,493 1.269,494 0.647,495 1.17,496 1.484,497 1.082,498 1.36,499 1.09,500 1.514,501 1.186,502 0.738,503 0.959,504 0.993,505 0.98,506 0.731,507 1.038,508 0.798,509 0.856,510 0.933,511 0.858,512 1.007,513 0.913,514 0.774,515 0.784,516 0.743,517 0.787,518 0.795,519 0.756,520 5.5,521 0.186,522 3.556,523 3.188,524 2.124,525 1.243,526 0.682,527 0.345,528 0.349,529 0.23,530 9513,531 27333,532 2.072,533 44,534 3,535 17,538 2,542 1.71,543 1.909,544 3.361,545 0.247,546 1,547 1,550 78.237,551 1.565,552 3.517,553 4.343,554 4.774,555 5.054,556 5.054,557 2.897,558 4.379,559 4.779,560 3.552,561 1342.5,562 8.307,563 17262.1,565 1,567 1,568 282.193,569 1.497,570 4.723,571 0.177,572 0.008,573 0.079,574 0.063,575 0.042,576 0.032,577 0.022,578 0.014,579 0.014,580 0.009,581 0.461,582 0.5,583 1,584 0.787,585 139.457,586 -0.092,587 -0.191,588 0.039,589 -0.05,590 -0.099,591 0.008,592 -0.026,593 0.076,594 0.111,595 0.118,596 0.088,597 0.15,598 -0.003,599 0.113,600 -0.005,601 0.009,602 -0.032,603 0.004,604 0.146,605 -0.24,606 -0.026,607 -0.252,608 0.181,609 -0.188,610 -0.277,611 -0.122,612 -0.354,613 -0.129,614 -0.28,615 -0.242,616 0.136,617 -0.034,618 0.024,619 -0.027,620 0.176,621 -0.032,622 -0.011,623 0.061,624 0.088,625 0.094,626 -0.071,627 0.111,628 0.044,629 0.156,630 0.271,631 0.172,632 0.031,633 0.261,634 2.138,635 5.623,636 0.786,637 25.49,638 1.014,639 1.124,640 1.555,641 2.418,642 0.658,643 3.466,644 3.829,645 4.159,646 4.477,647 4.691,648 4.804,649 4.898,650 5.081,651 5.142,652 5.215,653 6.383,654 0.638,655 382.45,656 3.466,657 5.03,658 5.911,659 6.819,660 7.712,661 8.625,662 9.523,663 10.439,664 11.338,665 12.256,666 4,669 1,672 1,681 6,686 6,688 12,699 1,700 2,701 1,703 50,705 14,706 2,707 31,709 53,710 21,711 12,712 6,713 6,714 3,717 4,718 5,721 1,729 15,730 6,733 2,737 1,741 3,743 1,744 1,747 22,748 7,749 2,750 7,755 2,760 0.75,761 5,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 2,805 28,809 2,810 4,812 2,815 2,825 10,827 2,828 1,830 2,832 14.667,833 9.55,834 6.139,835 2.892,836 2.713,837 1.347,838 0.946,839 5.122,840 10.523,841 3.689,842 4.29,843 4.868,844 5.427,845 5.891,846 6.136,847 6.326,848 6.691,849 6.883,850 7.051,851 1,852 51,853 10.4,854 4.534,855 7.893,856 19.572,857 16.218,859 2.393,860 67,863 1,864 235.422,865 114.551,866 6.249,868 132.511,871 114.551,872 367.933,873 6.249,874 19.708,875 8.423,876 56.857,877 120.46,878 47.863,880 235.422,882 235.422,883 120.8,884 132.511,887 235.422,888 132.511,891 20.372,892 97.671,893 2.757,895 235.422,896 138.76,897 114.551,900 235.422,901 37.986,902 82.814,904 132.511,905 235.422,906 138.76,907 114.551,909 0.589,910 0.364,911 0.211,912 0.108,913 23,914 11,915 0.057,916 3,917 1,918 1.091,919 3.835,920 254.378,921 0.091,922 22,923 130.606,928 18.962,929 7.564,930 3.435,932 138.76,933 10.458,938 2.217,940 85.367,941 488.733,942 39,946 12.623,950 0.628,952 50.676,953 56.196,954 0.277,955 0.623,956 0.77,957 0.846,958 0.895,959 0.895,960 4.963,961 1.614,962 5.922,963 5.174,964 4.511,965 4.977,966 2.303,967 6.797,968 4.412,969 6.179,970 1.492,971 7.522,972 4.457,973 4.205,974 4.868,975 0.57,976 7.828,977 4.052,978 7.507,979 1.119,980 9.224,981 3.327,982 6.163,983 7.157,984 2.93,985 10.974,986 5.976,987 8.869,988 1,989 10.985,990 2.786,991 6.661,992 7.839,993 0.479,994 12.828,995 6.427,996 10.263,997 0.496,998 12.785,999 2.275,1000 8.116,1001 9.642,1002 3.838,1003 15.507,1004 7.852,1005 11.681,1006 0.226,1007 14.611,1008 0.848,1009 8.983,1010 10.697,1011 0.346,1012 17.7,1013 8.678,1014 13.117,1015 -0.042,1016 16.457,1017 0.557,1018 10.249,1019 12.299,1020 4.832,1021 20.221,1022 9.914,1023 3.309,1024 -0.263,1025 18.318,1026 -0.112,1027 11.284,1028 13.538,1029 0.237,1030 22.555,1031 10.912,1032 3.018,1033 11.821,1034 20.19,1035 -0.66,1036 12.481,1037 15.049,1038 5.852,1039 25.022,1040 12.079,1041 2.8,1042 10.168,1043 22.072,1044 4.295,1045 13.59,1046 16.382,1047 0.158,1048 27.418,1049 13.154,1050 2.286,1051 9.63,1052 23.962,1053 3.862,1054 14.765,1055 17.852,1056 6.88,1057 29.87,1058 14.299,1059 2.175,1060 6.501,1061 25.857,1062 3.59,1063 15.908,1064 19.234,1065 0.104,1066 32.296,1067 15.41,1068 2.042,1069 6.454,1070 27.758,1071 2.787,1072 17.078,1073 20.686,1074 7.91,1075 34.745,1076 16.55,1077 1.732,1078 6.013,1079 29.663,1080 2.627,1081 18.238,1082 22.095,1083 0.068,1084 37.187,1085 17.679,1086 9088,1087 15557,1088 20.403,1089 32.898,1090 47.099,1091 48.364,1092 49.605,1093 46.668,1094 46.616,1095 58.23,1096 8.269,1097 140.02,1098 44.221,1099 5.651,1100 5.81,1101 6.685,1102 5.37,1103 5.309,1104 7.295,1105 3.349,1106 19.408,1107 5.204,1108 15.129,1109 1.519,1110 1.56,1111 1.6,1112 1.505,1113 1.504,1114 1.878,1115 0.267,1116 4.517,1117 1.426,1118 4.036,1119 4.059,1120 4,1121 3.931,1122 7.433,1123 3.944,1124 3.929,1125 3.951,1126 3.877,1127 3.837,1128 6.493,1129 3.842,1130 3.723,1131 3.772,1132 3.639,1133 3.571,1134 6.446,1135 3.581,1136 3.485,1137 3.518,1138 3.402,1139 3.341,1140 4.869,1141 3.345,1142 3.249,1143 3.315,1144 3.063,1145 2.969,1146 4.698,1147 2.979,1148 3.157,1149 3.206,1150 3.058,1151 2.941,1152 4.401,1153 2.922,1154 3.111,1155 3.185,1156 2.866,1157 2.886,1158 4.305,1159 2.91,1160 2.958,1161 3.029,1162 2.846,1163 2.762,1164 4.036,1165 2.768,1166 0.15,1167 0.123,1168 0.226,1169 0.138,1170 0.107,1171 4.651,1172 0.139,1173 3.81,1174 0.054,1175 6.993,1176 0.381,1177 4.278,1178 0.103,1179 3.309,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.955,1185 1.942,1186 2.05,1187 2.092,1188 1.315,1189 2.079,1190 1.898,1191 1.873,1192 1.99,1193 2.015,1194 1.14,1195 2.006,1196 1.691,1197 1.639,1198 1.872,1199 1.863,1200 1.021,1201 1.868,1202 1.452,1203 1.412,1204 1.667,1205 1.627,1206 0.825,1207 1.634,1208 1.197,1209 1.124,1210 1.573,1211 1.512,1212 0.767,1213 1.532,1214 1.153,1215 1.064,1216 1.513,1217 1.376,1218 0.574,1219 1.429,1220 1.047,1221 1.011,1222 1.278,1223 1.361,1224 0.414,1225 1.335,1226 0.903,1227 0.844,1228 1.142,1229 1.172,1230 0.204,1231 1.156,1232 4.143,1233 5.493,1235 7.057,1237 8.722,1239 10.439,1241 3.445,1246 19.875,1247 2.708,1249 10.836,1252 4.21,1257 31.885,1258 78.237,1259 175.87,1260 217.173,1261 238.683,1262 252.683,1263 252.683,1264 55.549,1265 7.81,1266 86.38,1267 86.38,1268 24,1269 12.769,1270 3.907,1271 3.17,1272 42.508,1273 108,1274 98,1275 0.196,1276 192.787,1277 345.45,1278 462.159,1279 26417,1281 19.836,1282 0.708,1283 0.565,1284 19.836,1285 15.806,1286 13.49,1287 0.435,1288 0.294,1289 8.945,1290 12.819,1291 8.714,1292 7.184,1293 13.49,1294 9.116,1295 12.332,1296 0.274,1297 0.152,1298 12.332,1299 6.847,1300 10.685,1301 0.17,1302 0.083,1303 10.685,1304 5.214,1305 9.853,1306 0.113,1307 0.045,1308 9.853,1309 3.892,1310 7.382,1311 0.068,1312 0.024,1313 7.382,1314 2.595,1315 0.306,1316 85.756,1317 0.221,1318 26.478,1319 0.545,1320 152,1321 482.796,1322 170.447,1323 453.679,1324 617.68,1325 424,1326 184,1327 456.149,1328 203.34,1329 457.223,1330 675.81,1331 429,1332 5}
{0 CHEMBL602269,1 1.672,2 11.37,3 3.417,4 11.678,5 99.678,6 8.052,7 0.4,8 3.962,9 4.057,10 3.581,11 3.471,12 5.163,13 3.485,14 4.489,15 4.639,16 3.986,17 3.869,18 5.706,19 3.876,20 4.776,21 4.947,22 4.104,23 4.058,24 5.945,25 4.042,26 4.867,27 5.045,28 4.092,29 4.093,30 6.101,31 4.045,32 4.967,33 5.164,34 3.897,35 4.042,36 6.085,37 3.962,38 4.863,39 5.12,40 3.756,41 3.858,42 6.017,43 3.757,44 4.582,45 4.817,46 3.507,47 3.62,48 5.712,49 3.55,50 4.354,51 4.572,52 3.44,53 3.476,54 5.553,55 3.422,56 0.145,57 0.714,58 8.387,59 4.303,60 18.12,61 4.846,62 0.374,63 1.177,64 16.37,65 6.788,66 27.86,67 8.256,68 0.616,69 1.495,70 23.797,71 9.24,72 54.38,73 11.052,74 0.712,75 1.51,76 26.501,77 10.821,78 80.416,79 13.559,80 0.986,81 1.473,82 32.773,83 11.374,84 114.905,85 14.011,86 0.916,87 1.351,88 32.224,89 10.318,90 121.704,91 14.398,92 0.715,93 1.147,94 23.958,95 7.667,96 98.096,97 9.439,98 0.54,99 0.939,100 18.183,101 6.365,102 62.193,103 7.849,104 26,105 44,106 0.287,107 0.62,108 0.715,109 0.78,110 0.825,111 0.825,112 3.34,113 0.869,114 -3.43,115 -3.41,116 -3.26,119 43.5,120 1,125 4,135 1,137 1,138 6,139 1,140 5,151 1,163 4,165 1,166 5,171 4,172 6,175 3,176 6,181 1,183 4,187 5,190 2,191 1,192 3,194 2,198 5,201 1,203 1,208 2,209 5,212 2,214 1,224 1,227 2,231 6,234 1,238 6,242 4,249 4,252 1070,253 17.947,254 17.947,255 17.947,256 17.947,257 17.947,258 16,259 25.612,260 10.234,261 18.391,262 14.766,263 14.766,264 14.766,265 14.766,266 14.766,267 11.807,268 36.493,269 4.837,270 15.533,271 3.851,272 1.909,273 1.354,274 0.973,275 0.712,276 0.712,277 4.034,281 1,282 1,283 1,284 670,285 2.345,288 307.39,292 120.56,295 1.717,296 40.789,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 60.5,308 307,309 4.651,310 3.81,311 6.993,312 4.278,313 3.308,314 4.295,315 1.674,316 11.821,317 3.204,318 4.158,319 3.175,320 6.385,321 3.849,322 2.904,323 3.677,324 0.8,325 9.662,326 2.743,327 4.101,328 3.155,329 6.138,330 3.721,331 2.762,332 3.589,333 0.8,334 9.029,335 2.644,336 3.623,337 2.912,338 5.295,339 3.274,340 2.336,341 2.888,343 6.454,344 2.177,345 3.507,346 2.789,347 5.175,348 3.141,349 2.183,350 2.782,352 6.274,353 2.078,354 3.391,355 2.464,356 5.043,357 3.05,358 2.127,359 2.606,361 6.05,362 1.946,363 3.12,364 2.291,365 4.916,366 2.767,367 1.809,368 2.228,370 5.335,371 1.718,372 2.998,373 2.057,374 4.659,375 2.587,376 1.627,377 2.056,379 4.476,380 1.544,381 2.562,382 1.677,383 4.298,384 2.303,385 1.363,386 1.561,388 3.888,389 1.272,390 2.5,391 1.146,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 2,400 1,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.557,409 0.982,410 3.347,411 1.228,412 0.26,413 0.299,415 0.706,416 0.247,417 1.213,418 0.556,419 3.056,420 0.917,421 -0.034,422 -0.04,424 -0.089,425 -0.032,426 1.126,427 0.366,428 2.687,429 0.761,430 -0.154,431 -0.182,433 -0.37,434 -0.138,435 0.985,436 0.228,437 2.556,438 0.643,439 -0.315,440 -0.4,442 -0.791,443 -0.295,444 12.419,445 0.46,446 0.822,447 0.03,448 35,449 1.296,450 17,451 0.63,452 18,453 0.667,454 22.133,455 0.82,456 29.581,457 0.643,458 27.464,459 1.017,460 7.091,461 0.263,462 5.845,463 0.216,464 0.144,466 0.427,470 1,472 0.787,473 1.148,474 0.719,475 1.05,476 0.697,477 0.906,478 0.712,479 1.051,480 0.731,481 0.952,482 0.486,483 0.849,484 0.927,485 0.95,486 0.959,487 0.971,488 0.817,489 0.96,490 0.664,491 1.049,492 0.944,493 1.234,494 0.637,495 1.182,496 1.126,497 0.831,498 1.242,499 1.078,500 1.1,501 1.188,502 0.658,503 0.813,504 0.865,505 0.902,506 0.633,507 0.938,508 1.268,509 0.971,510 1.167,511 0.856,512 1.41,513 0.948,514 1.081,515 0.924,516 1.031,517 0.942,518 1.206,519 0.965,520 6,521 0.173,522 3.556,523 2.813,524 2.004,525 1.264,526 0.704,527 0.333,528 0.311,529 0.202,530 8852,531 28448,532 2.075,533 41.3,534 3,535 14,538 2,542 1.699,543 1.906,544 3.406,545 0.267,547 1,550 76.935,551 1.672,552 3.614,553 4.17,554 4.551,555 4.811,556 4.811,557 2.922,558 4.385,559 4.723,560 3.568,561 1252.43,562 8.191,563 15662.1,565 1,567 1,568 254.084,569 1.506,570 4.668,571 0.2,572 0.01,573 0.081,574 0.059,575 0.045,576 0.036,577 0.023,578 0.014,579 0.014,580 0.01,581 0.49,582 0.5,583 1,584 0.627,585 133.157,586 -0.092,587 -0.125,588 0.021,589 -0.009,590 -0.085,591 0.026,592 0.007,593 -0.036,594 0.096,595 0.029,596 0.091,597 0.086,598 -0.071,599 0.078,600 -0.068,601 0.001,602 -0.053,603 -0.019,604 0.125,605 -0.144,606 -0.042,607 -0.237,608 0.106,609 -0.194,610 -0.154,611 -0.088,612 -0.258,613 -0.123,614 -0.179,615 -0.213,616 0.142,617 -0.047,618 0.176,619 0.039,620 0.157,621 0.097,622 -0.179,623 0.08,624 -0.108,625 0.102,626 -0.217,627 0.039,628 -0.036,629 0.161,630 -0.011,631 0.049,632 -0.114,633 0.032,634 2.166,635 5.538,636 0.815,637 25.191,638 1.021,639 1.128,640 2.203,641 4.854,642 0.666,643 3.434,644 3.807,645 4.111,646 4.419,647 4.654,648 4.787,649 4.86,650 5.024,651 5.081,652 5.182,653 6.361,654 0.653,655 370.41,656 3.434,657 5.004,658 5.878,659 6.783,660 7.671,661 8.582,662 9.475,663 10.389,664 11.285,665 12.202,666 4.3,669 1,672 1,681 6,686 6,688 12,699 1,700 2,702 1,703 46,705 14,706 2,707 30,709 49,710 20,711 12,712 6,713 6,714 3,717 4,718 5,721 1,729 15,730 5,733 2,737 1,741 3,743 1,744 1,745 1,747 19,748 7,749 2,750 7,755 2,760 0.75,761 4,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 1,803 1,805 27,809 2,810 4,812 1,815 2,824 1,825 8.7,827 2,828 1,830 1,832 14.167,833 8.526,834 5.778,835 2.712,836 2.62,837 1.34,838 0.959,839 4.638,840 10.337,841 3.664,842 4.277,843 4.832,844 5.387,845 5.875,846 6.13,847 6.293,848 6.657,849 6.845,850 7.035,851 0.875,852 48,853 10.057,854 4.483,855 8.074,856 18.684,857 15.695,859 2.574,860 69.5,863 1,864 200.109,865 107.546,866 6.249,868 121.512,869 14.96,871 107.546,872 321.62,873 21.209,874 8.825,875 8.423,876 56.857,877 120.46,878 40.741,879 14.96,880 200.109,882 200.109,883 113.795,884 136.472,887 215.069,888 121.512,891 20.372,892 90.665,893 2.757,895 215.069,896 127.76,897 107.546,900 200.109,901 41.863,902 71.931,904 136.472,905 200.109,906 142.72,907 107.546,909 0.597,910 0.355,911 0.198,912 0.106,913 23,914 11,915 0.041,916 2,917 1,918 1.091,919 3.79,920 240.913,921 0.091,922 22,923 120.382,928 17.984,929 6.964,930 3.318,932 142.72,933 8.894,938 0.951,940 85.367,941 450.375,942 38,946 12.538,950 0.538,952 46.978,953 51.911,954 0.303,955 0.654,956 0.755,957 0.824,958 0.871,959 0.871,960 4.942,961 1.627,962 5.894,963 5.335,964 4.489,965 4.963,966 2.143,967 6.756,968 4.391,969 6.164,970 1.363,971 7.488,972 4.476,973 4.205,974 4.868,975 0.57,976 7.753,977 4.041,978 7.492,979 1,980 9.18,981 3.888,982 6.133,983 7.138,984 2.87,985 10.886,986 5.949,987 8.85,988 1,989 10.929,990 2.275,991 6.621,992 7.803,993 0.479,994 12.712,995 6.385,996 10.238,997 0.26,998 12.716,999 2.275,1000 8.066,1001 9.604,1002 3.82,1003 15.389,1004 7.807,1005 11.649,1006 -0.034,1007 14.53,1008 0.706,1009 8.916,1010 10.633,1011 0.346,1012 17.571,1013 8.616,1014 13.077,1015 -0.154,1016 16.364,1017 -0.089,1018 10.177,1019 12.237,1020 4.828,1021 20.095,1022 9.852,1023 3.308,1024 -0.315,1025 18.216,1026 -0.37,1027 11.198,1028 13.457,1029 0.237,1030 22.431,1031 10.839,1032 2.904,1033 11.821,1034 20.081,1035 -0.791,1036 12.392,1037 14.971,1038 5.851,1039 24.905,1040 12.007,1041 2.762,1042 9.662,1043 21.956,1044 4.295,1045 13.494,1046 16.293,1047 0.158,1048 27.308,1049 13.078,1050 2.336,1051 9.029,1052 23.841,1053 3.677,1054 14.668,1055 17.766,1056 6.88,1057 29.768,1058 14.224,1059 2.183,1060 6.454,1061 25.734,1062 3.589,1063 15.809,1064 19.144,1065 0.104,1066 32.202,1067 15.335,1068 2.127,1069 6.274,1070 27.633,1071 2.888,1072 16.98,1073 20.6,1074 7.91,1075 34.66,1076 16.479,1077 1.809,1078 6.05,1079 29.537,1080 2.782,1081 18.141,1082 22.009,1083 0.068,1084 37.11,1085 17.61,1086 8416,1087 15210,1088 19.709,1089 30.62,1090 45.937,1091 47.024,1092 48,1093 45.527,1094 45.357,1095 56.96,1096 6.549,1097 136.49,1098 43.078,1099 5.651,1100 5.81,1101 6.407,1102 5.37,1103 5.308,1104 7.295,1105 3.349,1106 19.408,1107 5.204,1108 14.828,1109 1.531,1110 1.567,1111 1.6,1112 1.518,1113 1.512,1114 1.899,1115 0.218,1116 4.55,1117 1.436,1118 4.035,1119 4.059,1120 3.999,1121 3.93,1122 8.201,1123 3.944,1124 3.926,1125 3.952,1126 3.876,1127 3.835,1128 7.433,1129 3.84,1130 3.724,1131 3.774,1132 3.644,1133 3.571,1134 6.493,1135 3.581,1136 3.487,1137 3.519,1138 3.41,1139 3.341,1140 6.446,1141 3.346,1142 3.157,1143 3.206,1144 3.059,1145 2.941,1146 4.712,1147 2.923,1148 3.111,1149 3.186,1150 2.921,1151 2.887,1152 4.651,1153 2.91,1154 2.986,1155 3.047,1156 2.866,1157 2.763,1158 4.288,1159 2.789,1160 2.929,1161 2.955,1162 2.787,1163 2.735,1164 4.019,1165 2.715,1166 0.155,1167 0.127,1168 0.233,1169 0.143,1170 0.11,1171 4.651,1172 0.143,1173 3.81,1174 0.056,1175 6.993,1176 0.394,1177 4.278,1178 0.107,1179 3.308,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.955,1185 1.942,1186 2.05,1187 2.091,1188 1.314,1189 2.079,1190 1.896,1191 1.867,1192 1.987,1193 2.012,1194 1.139,1195 2.004,1196 1.688,1197 1.636,1198 1.862,1199 1.859,1200 1.007,1201 1.861,1202 1.451,1203 1.411,1204 1.666,1205 1.626,1206 0.825,1207 1.633,1208 1.153,1209 1.064,1210 1.513,1211 1.376,1212 0.766,1213 1.429,1214 1.046,1215 1.011,1216 1.272,1217 1.361,1218 0.403,1219 1.333,1220 0.889,1221 0.837,1222 1.181,1223 1.175,1224 0.218,1225 1.148,1226 0.886,1227 0.821,1228 1.101,1229 1.144,1230 0.185,1231 1.107,1232 4.111,1233 5.468,1235 7.029,1237 8.687,1239 10.396,1241 1.762,1243 13.103,1246 19.784,1247 2.523,1249 5.341,1252 4.066,1257 30.027,1258 76.935,1259 166.256,1260 191.819,1261 209.329,1262 221.329,1263 221.329,1264 58.435,1265 7.716,1266 77.15,1267 77.15,1268 24,1269 12.717,1270 3.907,1271 3.17,1272 40.341,1273 102,1274 117,1275 0.195,1276 180.396,1277 325.43,1278 431.927,1279 23344,1280 2.2,1281 19.129,1282 0.708,1283 0.547,1284 18.259,1285 14.776,1286 12.936,1287 0.431,1288 0.29,1289 8.532,1290 12.297,1291 8.364,1292 6.848,1293 12.542,1294 8.687,1295 12.236,1296 0.278,1297 0.151,1298 11.614,1299 6.652,1300 10.315,1301 0.172,1302 0.083,1303 9.904,1304 4.98,1305 9.289,1306 0.113,1307 0.045,1308 9.138,1309 3.67,1310 7.044,1311 0.068,1312 0.023,1313 6.82,1314 2.44,1315 0.305,1316 82.178,1317 0.225,1318 25.794,1319 0.539,1320 148,1321 521.172,1322 167.399,1323 469.575,1324 628.06,1325 436,1326 178,1327 457.937,1328 197.038,1329 452.284,1330 667.93,1331 426,1332 4.233}
{0 CHEMBL602474,1 1.505,2 10.857,3 4.184,4 17.508,5 109.544,6 7.317,7 0.387,8 4.057,9 4.163,10 3.604,11 3.576,12 5.176,13 3.564,14 4.598,15 4.77,16 4.009,17 3.983,18 5.681,19 3.96,20 4.855,21 5.024,22 4.161,23 4.198,24 5.918,25 4.155,26 5.023,27 5.21,28 4.173,29 4.271,30 6.16,31 4.192,32 5.16,33 5.383,34 3.971,35 4.23,36 6.172,37 4.118,38 5.051,39 5.322,40 3.794,41 4.064,42 6.082,43 3.913,44 4.831,45 5.117,46 3.5,47 3.828,48 5.706,49 3.678,50 4.524,51 4.786,52 3.475,53 3.635,54 5.475,55 3.537,56 0.058,57 0.723,58 11.047,59 4.956,60 11.712,61 6.25,62 0.259,63 1.205,64 20.83,65 7.904,66 26.06,67 10.69,68 0.365,69 1.519,70 27.187,71 10.469,72 26.891,73 13.815,74 0.489,75 1.708,76 32.932,77 12.851,78 62.182,79 17.356,80 0.731,81 1.783,82 41.352,83 13.985,84 94.109,85 18.603,86 0.732,87 1.604,88 38.072,89 12.797,90 107.235,91 18.488,92 0.514,93 1.279,94 31.087,95 9.979,96 66.573,97 14.478,98 0.32,99 0.964,100 22.048,101 7.531,102 37.912,103 10.666,104 37,105 46,106 0.252,107 0.573,108 0.696,109 0.786,110 0.843,111 0.843,112 3.375,113 0.912,114 -3.76,115 -3.73,116 -3.54,119 42.3,120 3,125 4,135 1,137 1,138 5,139 3,140 4,151 1,163 8,165 1,166 5,171 4,172 11,175 3,176 7,181 1,183 8,187 7,190 2,191 1,192 3,194 4,198 5,201 1,203 1,208 2,209 6,212 2,214 1,221 2,224 1,227 2,231 6,234 1,238 7,242 6,249 8,252 1124,253 18.499,254 18.499,255 18.499,256 18.499,257 18.499,258 16.472,259 25.436,260 10.449,261 18.877,262 15.224,263 15.224,264 15.224,265 15.224,266 15.224,267 12.173,268 36.025,269 4.888,270 15.86,271 4.195,272 2.273,273 1.541,274 1.005,275 0.659,276 0.659,277 4.066,282 1,283 1,284 659,285 2.449,288 317.803,292 124.87,295 1.724,296 32.759,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 61,308 304,309 4.651,310 3.81,311 6.993,312 4.278,313 3.309,314 4.295,315 1.674,316 11.821,317 3.204,318 4.384,319 3.301,320 6.588,321 4.042,322 3.072,323 4.019,324 0.8,325 10.334,326 2.987,327 4.131,328 3.173,329 6.38,330 3.769,331 2.81,332 3.591,333 0.8,334 9.636,335 2.689,336 3.606,337 2.94,338 5.608,339 3.369,340 2.41,341 2.81,343 7.175,344 2.301,345 3.505,346 2.644,347 5.295,348 3.141,349 2.181,350 2.768,352 6.454,353 2.082,354 3.379,355 2.447,356 5.158,357 3.041,358 2.113,359 2.601,361 6.172,362 1.95,363 3.109,364 2.288,365 4.924,366 2.758,367 1.792,368 2.219,370 5.319,371 1.717,372 2.99,373 2.042,374 4.66,375 2.586,376 1.625,377 2.056,379 4.475,380 1.545,381 2.867,382 1.677,383 4.431,384 2.414,385 1.414,386 2.023,388 3.944,389 1.414,390 2.573,391 1.497,392 3.847,393 2.328,394 1.37,395 1.573,397 3.167,398 1.306,399 2,400 1.146,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.566,409 0.99,410 3.357,411 1.29,412 0.311,413 0.348,415 0.802,416 0.301,417 1.342,418 0.621,419 3.057,420 1.075,421 0.093,422 0.11,424 0.226,425 0.091,426 1.176,427 0.446,428 2.765,429 0.903,430 -0.047,431 -0.055,433 -0.127,434 -0.044,435 1.047,436 0.228,437 2.632,438 0.687,439 -0.272,440 -0.341,442 -0.698,443 -0.258,444 13.133,445 0.469,446 0.895,447 0.032,448 35.25,449 1.259,450 17,451 0.607,452 18.25,453 0.652,454 25.939,455 0.926,456 30.667,457 0.59,458 27.28,459 0.974,460 7,461 0.25,462 6.363,463 0.227,464 0.19,466 0.442,472 0.878,473 1.314,474 0.814,475 1.09,476 0.805,477 0.964,478 0.731,479 1.049,480 0.729,481 0.875,482 0.461,483 0.793,484 0.898,485 1.061,486 0.959,487 1.035,488 0.778,489 1.003,490 0.654,491 1.287,492 1.003,493 1.293,494 0.607,495 1.22,496 1.38,497 1.048,498 1.245,499 1.056,500 1.394,501 1.122,502 0.68,503 0.981,504 0.927,505 0.977,506 0.682,507 0.996,508 0.91,509 0.8,510 0.937,511 0.793,512 1.01,513 0.853,514 0.815,515 0.768,516 0.775,517 0.772,518 0.809,519 0.761,520 6,521 0.186,522 4,523 3.375,524 2.356,525 1.292,526 0.682,527 0.345,528 0.349,529 0.25,530 9493,531 24545,532 2.051,533 46.2,534 9,535 13,538 2,542 1.709,543 1.867,544 3.359,545 0.212,547 1,550 78.276,551 1.505,552 3.427,553 4.159,554 4.695,555 5.042,556 5.042,557 2.897,558 4.45,559 4.78,560 3.551,561 1342.2,562 8.305,563 17225.1,565 1,567 1,568 296.423,569 1.531,570 4.711,571 0.194,572 0.008,573 0.087,574 0.065,575 0.048,576 0.034,577 0.022,578 0.014,579 0.014,580 0.01,581 0.496,582 0.5,583 1,584 0.648,585 139.416,586 -0.076,587 -0.141,588 0.037,589 -0.01,590 -0.102,591 0.024,592 0.067,593 0.093,594 0.181,595 0.131,596 0.127,597 0.178,598 -0.006,599 0.058,600 -0.041,601 -0.03,602 -0.033,603 -0.039,604 0.191,605 -0.247,606 -0.076,607 -0.281,608 0.18,609 -0.232,610 -0.193,611 -0.101,612 -0.231,613 -0.096,614 -0.203,615 -0.163,616 0.182,617 -0.057,618 0.078,619 -0.026,620 0.212,621 -0.001,622 -0.033,623 0.123,624 0.084,625 0.14,626 -0.07,627 0.135,628 0.041,629 0.184,630 0.223,631 0.189,632 0.025,633 0.235,634 2.116,635 5.641,636 0.786,637 25.163,638 1.004,639 1.123,640 2.533,641 6.416,642 0.658,643 3.466,644 3.85,645 4.174,646 4.477,647 4.691,648 4.812,649 4.905,650 5.088,651 5.142,652 5.226,653 6.377,654 0.629,655 380.48,656 3.466,657 5.043,658 5.927,659 6.838,660 7.733,661 8.648,662 9.547,663 10.464,664 11.365,665 12.284,666 3.8,669 1,672 1,681 5,686 7,688 12,699 1,700 2,703 52,705 14,706 2,707 31,709 55,710 22,711 12,712 7,713 5,714 3,717 4,718 5,721 3,729 15,730 7,733 2,737 1,741 3,744 1,747 24,748 6,749 2,750 6,755 2,760 0.75,761 4,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 3,805 28,809 2,810 4,812 1,815 2,825 7.7,827 2,828 1,830 1,832 15,833 10.3,834 6,835 3.135,836 2.686,837 1.344,838 0.952,839 4.915,840 10.496,841 3.689,842 4.317,843 4.89,844 5.44,845 5.905,846 6.161,847 6.334,848 6.698,849 6.884,850 7.064,851 1,852 52,853 10.419,854 4.551,855 7.827,856 19.812,857 16.621,859 2.327,860 65.167,862 1,863 1,864 258.964,865 112.97,866 6.249,868 121.512,871 112.97,872 380.476,873 6.249,874 26.476,875 8.423,876 47.381,877 120.46,878 37.991,880 258.964,882 258.964,883 119.219,884 121.512,887 258.964,888 121.512,891 38.023,892 78.439,893 2.757,895 258.964,896 127.76,897 112.97,900 258.964,901 39.113,902 80.105,904 121.512,905 258.964,906 127.76,907 112.97,909 0.601,910 0.368,911 0.204,912 0.104,913 24,914 12,915 0.036,916 2,917 1,918 1.091,919 3.805,920 255.682,921 0.091,922 22,923 128.606,928 18.999,929 7.243,930 3.337,932 127.76,933 8.939,938 4.206,940 85.367,941 499.695,942 39,946 12.641,950 0.702,952 52.232,953 58.401,954 0.264,955 0.601,956 0.73,957 0.824,958 0.884,959 0.884,960 4.977,961 1.625,962 5.953,963 5.319,964 4.533,965 5.004,966 2.143,967 6.836,968 4.453,969 6.21,970 1.414,971 7.565,972 4.475,973 4.29,974 4.966,975 0.57,976 7.874,977 4.17,978 7.548,979 1.37,980 9.275,981 3.944,982 6.201,983 7.207,984 2.87,985 11.019,986 6.049,987 8.918,988 1,989 11.042,990 3.167,991 6.735,992 7.938,993 0.479,994 12.865,995 6.551,996 10.319,997 0.311,998 12.844,999 2.275,1000 8.166,1001 9.714,1002 3.82,1003 15.55,1004 7.952,1005 11.741,1006 0.093,1007 14.672,1008 0.802,1009 9.051,1010 10.801,1011 0.346,1012 17.733,1013 8.808,1014 13.182,1015 -0.047,1016 16.519,1017 0.226,1018 10.307,1019 12.39,1020 4.828,1021 20.258,1022 10.035,1023 3.309,1024 -0.272,1025 18.38,1026 -0.127,1027 11.349,1028 13.649,1029 0.237,1030 22.587,1031 11.048,1032 3.072,1033 11.821,1034 20.252,1035 -0.698,1036 12.542,1037 15.154,1038 5.851,1039 25.055,1040 12.212,1041 2.81,1042 10.334,1043 22.134,1044 4.295,1045 13.655,1046 16.499,1047 0.158,1048 27.449,1049 13.295,1050 2.41,1051 9.636,1052 24.023,1053 4.019,1054 14.828,1055 17.967,1056 6.88,1057 29.9,1058 14.439,1059 2.181,1060 7.175,1061 25.918,1062 3.591,1063 15.972,1064 19.356,1065 0.104,1066 32.324,1067 15.553,1068 2.113,1069 6.454,1070 27.818,1071 2.81,1072 17.142,1073 20.807,1074 7.91,1075 34.772,1076 16.693,1077 1.792,1078 6.172,1079 29.723,1080 2.768,1081 18.302,1082 22.219,1083 0.068,1084 37.212,1085 17.822,1086 9073,1087 14798,1088 20.115,1089 34.205,1090 47.501,1091 48.755,1092 50.261,1093 47.122,1094 47.002,1095 58.821,1096 6.549,1097 143.599,1098 45.103,1099 5.651,1100 5.81,1101 6.522,1102 5.37,1103 5.309,1104 7.295,1105 3.349,1106 19.409,1107 5.204,1108 16.564,1109 1.532,1110 1.573,1111 1.621,1112 1.52,1113 1.516,1114 1.897,1115 0.211,1116 4.632,1117 1.455,1118 4.043,1119 4.07,1120 4.003,1121 3.943,1122 7.433,1123 3.953,1124 3.953,1125 3.972,1126 3.901,1127 3.882,1128 6.493,1129 3.884,1130 3.737,1131 3.791,1132 3.648,1133 3.581,1134 6.446,1135 3.59,1136 3.491,1137 3.524,1138 3.41,1139 3.347,1140 4.754,1141 3.352,1142 3.183,1143 3.264,1144 3.059,1145 3.047,1146 4.69,1147 3.024,1148 3.159,1149 3.242,1150 2.996,1151 2.977,1152 4.314,1153 2.957,1154 3.142,1155 3.206,1156 2.949,1157 2.941,1158 4.043,1159 2.917,1160 3.111,1161 3.178,1162 2.866,1163 2.88,1164 3.952,1165 2.91,1166 0.15,1167 0.123,1168 0.226,1169 0.138,1170 0.107,1171 4.651,1172 0.139,1173 3.81,1174 0.054,1175 6.993,1176 0.381,1177 4.278,1178 0.103,1179 3.309,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.969,1185 1.947,1186 2.083,1187 2.098,1188 1.328,1189 2.092,1190 1.933,1191 1.916,1192 2.011,1193 2.03,1194 1.179,1195 2.025,1196 1.705,1197 1.649,1198 1.893,1199 1.883,1200 1.106,1201 1.891,1202 1.457,1203 1.417,1204 1.668,1205 1.631,1206 0.825,1207 1.638,1208 1.217,1209 1.143,1210 1.561,1211 1.419,1212 0.769,1213 1.472,1214 1.178,1215 1.089,1216 1.53,1217 1.411,1218 0.63,1219 1.456,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.59,1225 1.429,1226 1.039,1227 1.007,1228 1.27,1229 1.356,1230 0.396,1231 1.328,1232 4.143,1233 5.509,1235 7.083,1237 8.754,1239 10.475,1241 6.058,1246 19.897,1247 2.957,1249 5.404,1252 4.362,1257 32.697,1258 78.276,1259 178.207,1260 216.284,1261 244.158,1262 262.158,1263 262.158,1264 55.487,1265 7.81,1266 77.15,1267 77.15,1268 24,1269 12.797,1270 3.907,1271 3.17,1272 42.529,1273 108,1274 96,1275 0.197,1276 198.383,1277 353.96,1278 475.814,1279 26209,1281 19.999,1282 0.714,1283 0.583,1284 19.999,1285 16.321,1286 13.363,1287 0.431,1288 0.304,1289 9.291,1290 12.845,1291 8.964,1292 7.419,1293 13.363,1294 9.42,1295 12.647,1296 0.275,1297 0.161,1298 12.647,1299 7.394,1300 10.963,1301 0.171,1302 0.089,1303 10.963,1304 5.705,1305 9.777,1306 0.112,1307 0.047,1308 9.777,1309 4.079,1310 7.236,1311 0.067,1312 0.025,1313 7.236,1314 2.702,1315 0.306,1316 83.877,1317 0.223,1318 26.461,1319 0.546,1320 154,1321 443.061,1322 169.568,1323 424.653,1324 582.79,1325 396,1326 187,1327 436.603,1328 203.294,1329 440.353,1330 651.17,1331 414,1332 4.504}
{0 CHEMBL602887,1 1.497,2 9.455,3 2.407,4 5.793,5 86.786,6 6.873,7 0.25,8 3.878,9 3.996,10 3.385,11 3.346,12 4.891,13 3.329,14 4.462,15 4.661,16 3.746,17 3.726,18 5.455,19 3.699,20 4.667,21 4.865,22 3.846,23 3.924,24 5.62,25 3.865,26 4.761,27 4.974,28 3.81,29 3.964,30 5.725,31 3.869,32 4.829,33 5.063,34 3.661,35 3.869,36 5.821,37 3.769,38 4.647,39 4.888,40 3.487,41 3.685,42 5.65,43 3.571,44 4.415,45 4.66,46 3.22,47 3.523,48 5.287,49 3.39,50 4.276,51 4.512,52 2.932,53 3.335,54 5.21,55 3.177,56 0.002,57 0.621,58 10.122,59 4.121,60 5.296,61 5.632,62 0.299,63 0.996,64 19.9,65 6.25,66 26.669,67 9.106,68 0.374,69 1.186,70 24.461,71 8.504,72 24.028,73 11.828,74 0.249,75 1.252,76 26.631,77 9.902,78 28.549,79 13.913,80 0.444,81 1.203,82 30.06,83 9.453,84 56.29,85 13.261,86 0.532,87 1.001,88 25.131,89 7.965,90 54.054,91 11.368,92 0.282,93 0.831,94 19.434,95 6.623,96 26.005,97 9.498,98 0.206,99 0.707,100 16.888,101 5.693,102 31.712,103 8.126,104 19,105 34,106 0.264,107 0.561,108 0.766,109 0.817,110 0.817,111 0.817,112 3.148,113 0.967,114 -3.37,115 -3.35,116 -3.21,119 38.6,120 2,124 1,125 5,135 1,137 1,138 3,139 1,140 2,151 1,163 4,165 1,166 6,172 5,175 3,176 6,183 4,186 1,187 7,194 4,198 5,205 1,208 3,209 5,217 1,220 1,221 1,227 1,231 3,238 1,242 1,252 564,253 14.801,254 14.801,255 14.801,256 14.801,257 14.801,258 13.711,259 21.901,260 8.683,261 15.331,262 11.788,263 11.788,264 11.788,265 11.788,266 11.788,267 10.013,268 29.651,269 4.034,270 12.536,271 3.962,272 2.278,273 1.114,274 0.824,275 0.824,276 0.824,277 3.826,281 1,282 1,283 1,284 442,285 2.449,288 168.936,292 90.586,295 1.678,296 19.935,297 1,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 48,308 208,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.064,319 3.059,320 6.193,321 3.709,322 2.757,323 3.535,324 0.86,325 9.105,326 2.624,327 3.573,328 2.994,329 5.379,330 3.353,331 2.422,332 2.808,333 0.8,334 6.903,335 2.25,336 3.434,337 2.732,338 5.196,339 3.166,340 2.219,341 2.517,342 0.8,343 6.312,344 2.096,345 3.298,346 2.566,347 5.063,348 2.948,349 2.016,350 2.401,352 5.85,353 1.852,354 2.869,355 2.149,356 4.794,357 2.638,358 1.701,359 1.892,361 5.014,362 1.583,363 2.615,364 1.553,365 3.91,366 2.152,367 1.182,368 1.606,370 2.86,371 1.14,372 2.161,373 1.324,374 3.414,375 1.967,376 1.013,377 1.131,379 2.275,380 0.965,381 2,382 1.146,383 3.319,384 1.956,385 1,386 1,388 1.862,389 0.944,390 1.464,391 0.838,392 3.12,393 1.215,394 0.243,395 0.262,397 0.596,398 0.233,399 1.183,400 0.545,401 2.796,402 0.892,403 -0.069,404 -0.085,406 -0.16,407 -0.066,408 0.953,409 0.094,410 2.343,411 0.664,412 -0.272,413 -0.3,415 -0.567,416 -0.252,417 0.666,418 -0.103,419 2.295,420 0.512,421 -0.466,422 -0.524,424 -1.044,425 -0.447,426 0.471,427 -0.374,428 2,429 0.093,430 -0.873,431 -1,433 -1.821,434 -0.84,435 0.357,436 -0.6,437 1.87,438 -0.004,439 -1,440 -1.032,442 -2.892,443 -0.9,444 10.3,445 0.468,446 0.575,447 0.026,448 24.75,449 1.125,450 10,451 0.455,452 14.75,453 0.67,454 19.436,455 0.883,456 25.1,457 0.57,458 17.629,459 0.801,460 4.955,461 0.225,462 5.642,463 0.256,464 0.178,466 0.369,472 0.798,473 1.596,474 0.83,475 1.33,476 0.604,477 1.119,478 1.042,479 0.971,480 0.85,481 0.823,482 0.524,483 0.78,484 1.053,485 0.911,486 0.98,487 0.944,488 0.748,489 0.943,490 0.748,491 1.214,492 0.942,493 1.234,494 0.818,495 1.139,496 1.494,497 0.986,498 1.132,499 0.987,500 1.961,501 1.003,502 1.144,503 0.937,504 1.047,505 0.957,506 1.464,507 0.991,508 0.998,509 0.982,510 1.074,511 1.028,512 0.914,513 1.064,514 1.194,515 1.254,516 1.289,517 1.279,518 1.71,519 1.309,520 4.5,521 0.049,522 2.667,523 2,524 1.751,525 0.875,526 0.604,527 0.267,528 0.172,529 0.04,530 4556,531 10581,532 2.043,533 50,534 3,535 16,540 3,542 1.647,543 1.886,544 3.172,545 -0.762,546 1,547 1,548 1,550 65.866,551 1.497,552 3.182,553 4.345,554 4.635,555 4.635,556 4.635,557 2.738,558 3.971,559 4.422,560 3.285,561 758.782,562 7.612,563 8007.58,565 1,567 1,568 240.215,569 1.495,570 4.376,571 0.188,572 0.008,573 0.078,574 0.054,575 0.052,576 0.031,577 0.026,578 0.015,579 0.014,580 0.005,581 0.471,582 0.67,583 1,584 1.055,585 99.782,586 -0.001,587 -0.338,588 0.083,589 -0.171,590 -0.025,591 -0.053,592 0.015,593 0.173,594 0.14,595 0.166,596 0.16,597 0.186,598 -0.008,599 0.189,600 -0.003,601 0.077,602 0.017,603 0.044,604 0.095,605 -0.188,606 0.001,607 -0.187,608 0.088,609 -0.118,610 -0.2,611 -0.052,612 -0.112,613 -0.03,614 -0.23,615 -0.053,616 0.069,617 -0.007,618 -0.036,619 -0.003,621 -0.038,622 -0.053,623 -0.017,624 -0.105,625 -0.042,626 -0.046,627 -0.08,628 -0.168,629 -0.305,630 -0.316,631 -0.293,632 -0.229,633 -0.331,634 1.928,635 5.441,636 0.727,637 17.719,638 1,639 1.131,640 2.138,641 4.569,642 0.636,643 3.219,644 3.555,645 3.85,646 4.143,647 4.394,648 4.5,649 4.605,650 4.7,651 4.71,652 4.644,653 5.265,654 0.601,655 302.41,656 3.219,657 4.762,658 5.624,659 6.518,660 7.401,661 8.303,662 9.195,663 10.102,664 10.999,665 11.909,666 4.5,669 2,681 3,686 3,688 6,701 1,703 44,705 8,706 1,707 24,709 46,710 17,711 6,712 3,713 3,714 3,717 3,718 4,721 2,729 9,730 8,733 2,737 1,741 3,743 1,744 1,747 22,748 5,750 5,755 2,760 0.667,761 3,776 3,780 1,786 1,788 1,789 1,792 2,796 2,801 3,805 22,810 5,812 2,815 2,825 6.8,828 1,830 2,832 11.667,833 8.9,834 4.889,835 2.844,836 1.696,837 1.244,838 0.955,839 4.408,840 8.658,841 3.401,842 3.942,843 4.48,844 5.02,845 5.521,846 5.835,847 6.129,848 6.458,849 6.618,850 6.547,851 0.857,852 37,853 8.174,854 3.42,855 7.659,856 15.834,857 12.878,859 2.159,860 47.5,861 0.001,863 1,864 258.964,865 94.297,866 6.249,868 47.145,871 94.297,872 306.109,873 6.249,874 26.047,875 13.015,876 28.429,877 35.093,878 45.106,880 258.964,882 258.964,883 100.545,884 47.145,887 223.651,888 82.458,891 36.914,892 60.874,893 2.757,895 258.964,896 53.393,897 94.297,900 258.964,901 39.821,902 60.724,904 47.145,905 258.964,906 53.393,907 94.297,909 0.581,910 0.346,911 0.194,912 0.109,913 17,914 8,915 0.065,916 3,917 1,918 1.125,919 3.332,920 176.301,921 0.125,922 16,923 94.107,928 15.379,929 6.306,930 3.017,932 53.393,933 5.686,938 2.285,941 406.654,942 29,946 12.441,950 1.423,952 44.022,953 49.777,954 0.274,955 0.583,956 0.796,957 0.849,958 0.849,959 0.849,960 4.668,961 1.013,962 5.624,963 2.86,964 4.234,965 4.625,966 2.303,967 6.469,968 4.127,969 5.859,970 1,971 7.206,972 2.275,973 3.892,974 4.494,975 0.57,976 7.445,977 3.75,978 7.173,979 0.243,980 8.889,981 1.862,982 5.855,983 6.743,984 2.93,985 10.578,986 5.659,987 8.521,988 -0.069,989 10.631,990 0.596,991 6.312,992 7.42,993 0.479,994 12.388,995 6.094,996 9.904,997 -0.272,998 12.412,999 -0.16,1000 7.772,1001 9.194,1002 3.838,1003 15.065,1004 7.51,1005 11.312,1006 -0.466,1007 14.222,1008 -0.567,1009 8.605,1010 10.245,1011 0.346,1012 17.231,1013 8.325,1014 12.741,1015 -0.873,1016 16.052,1017 -1.044,1018 9.872,1019 11.827,1020 4.832,1021 19.752,1022 9.556,1023 3.26,1024 -1,1025 17.9,1026 -1.821,1027 10.886,1028 13.062,1029 0.237,1030 22.072,1031 10.549,1032 2.757,1033 11.49,1034 19.761,1035 -2.892,1036 12.081,1037 14.558,1038 5.852,1039 24.537,1040 11.713,1041 2.422,1042 9.105,1043 21.633,1044 4.189,1045 13.18,1046 15.885,1047 0.158,1048 26.923,1049 12.788,1050 2.219,1051 6.903,1052 23.515,1053 3.535,1054 14.353,1055 17.343,1056 6.88,1057 29.368,1058 13.931,1059 2.016,1060 6.312,1061 25.404,1062 2.808,1063 15.491,1064 18.717,1065 0.104,1066 31.783,1067 15.043,1068 1.701,1069 5.85,1070 27.299,1071 2.517,1072 16.659,1073 20.157,1074 7.91,1075 34.222,1076 16.182,1077 1.182,1078 5.014,1079 29.2,1080 2.401,1081 17.816,1082 21.557,1083 0.068,1084 36.65,1085 17.311,1086 4528,1087 7034,1088 15.72,1089 27.989,1090 35.988,1091 37.238,1092 37.914,1093 35.669,1094 35.625,1095 42.682,1096 8.269,1097 104.533,1098 33.691,1099 5.597,1100 5.802,1101 6.671,1102 5.322,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.501,1109 1.499,1110 1.552,1111 1.58,1112 1.486,1113 1.484,1114 1.778,1115 0.345,1116 4.356,1117 1.404,1118 4.024,1119 4.044,1120 3.986,1121 3.928,1122 7.433,1123 3.938,1124 3.805,1125 3.867,1126 3.703,1127 3.624,1128 4.899,1129 3.635,1130 3.568,1131 3.609,1132 3.475,1133 3.396,1134 4.529,1135 3.405,1136 3.402,1137 3.472,1138 3.222,1139 3.226,1140 4.373,1141 3.21,1142 3.158,1143 3.26,1144 3.034,1145 2.941,1146 4.087,1147 2.922,1148 3.13,1149 3.206,1150 2.927,1151 2.916,1152 4.072,1153 2.91,1154 3.111,1155 3.158,1156 2.866,1157 2.851,1158 3.779,1159 2.868,1160 2.817,1161 2.887,1162 2.652,1163 2.658,1164 3.646,1165 2.644,1166 0.192,1167 0.158,1168 0.288,1169 0.176,1170 0.136,1171 4.597,1172 0.175,1173 3.802,1174 0.07,1175 6.902,1176 0.479,1177 4.229,1178 0.132,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.958,1185 1.945,1186 2.048,1187 2.083,1188 1.307,1189 2.072,1190 1.76,1191 1.695,1192 1.955,1193 1.964,1194 1.147,1195 1.965,1196 1.521,1197 1.475,1198 1.799,1199 1.744,1200 0.939,1201 1.758,1202 1.408,1203 1.337,1204 1.669,1205 1.599,1206 0.825,1207 1.625,1208 1.154,1209 1.064,1210 1.538,1211 1.435,1212 0.783,1213 1.477,1214 1.153,1215 1.051,1216 1.513,1217 1.376,1218 0.635,1219 1.429,1220 1.019,1221 0.983,1222 1.242,1223 1.334,1224 0.322,1225 1.3,1226 0.831,1227 0.764,1228 1.12,1229 1.038,1230 0.179,1231 1.069,1232 3.892,1233 5.22,1235 6.763,1237 8.409,1239 10.112,1241 6.025,1247 4.212,1249 11.024,1252 4.403,1257 26.455,1258 65.866,1259 139.995,1260 191.195,1261 203.95,1262 203.95,1263 203.95,1264 33.651,1265 6.961,1266 45.92,1267 45.92,1268 18,1269 12.427,1270 3.17,1271 2.585,1272 34.422,1273 70,1274 80,1275 0.257,1276 162.6,1277 289.85,1278 388.505,1279 8414,1281 15.69,1282 0.713,1283 0.608,1284 15.69,1285 13.387,1286 10.597,1287 0.442,1288 0.322,1289 7.596,1290 10.051,1291 7.331,1292 6.083,1293 10.597,1294 7.736,1295 9.561,1296 0.281,1297 0.169,1298 9.561,1299 5.744,1300 8.066,1301 0.175,1302 0.092,1303 8.066,1304 4.239,1305 7.021,1306 0.113,1307 0.048,1308 7.021,1309 2.979,1310 5.564,1311 0.07,1312 0.026,1313 5.564,1314 2.053,1315 0.392,1316 67.153,1317 0.252,1318 21.407,1319 0.741,1320 116,1321 346.497,1322 130.238,1323 322.41,1324 443.17,1325 304,1326 138,1327 328.941,1328 152.797,1329 327.999,1330 486.16,1331 308,1332 5.785}
{0 CHEMBL602888,1 1.486,2 13.414,3 3.625,4 13.142,5 113.114,6 7.173,7 0.375,8 4.107,9 4.214,10 3.651,11 3.606,12 5.163,13 3.595,14 4.671,15 4.849,16 4.003,17 3.986,18 5.695,19 3.965,20 4.867,21 5.041,22 4.101,23 4.176,24 5.862,25 4.12,26 5.012,27 5.225,28 4.023,29 4.194,30 5.971,31 4.097,32 5.034,33 5.274,34 3.9,35 4.097,36 5.997,37 3.999,38 4.83,39 5.047,40 3.813,41 3.971,42 5.862,43 3.877,44 4.684,45 4.904,46 3.673,47 3.901,48 5.608,49 3.79,50 4.672,51 4.902,52 3.529,53 3.761,54 5.615,55 3.655,56 0.01,57 0.76,58 11.903,59 5.277,60 7.267,61 6.788,62 0.371,63 1.239,64 23.65,65 8.152,66 31.745,67 10.934,68 0.357,69 1.49,70 28.346,71 10.887,72 27.052,73 14.389,74 0.37,75 1.606,76 34.121,77 12.931,78 40.94,79 17.54,80 0.552,81 1.541,82 36.978,83 12.35,84 65.923,85 16.721,86 0.693,87 1.291,88 29.567,89 10.261,90 62.065,91 13.866,92 0.243,93 1.176,94 24.385,95 9.461,96 29.739,97 12.982,98 0.363,99 1.077,100 25.388,101 8.789,102 44.838,103 11.803,104 18,105 45,106 0.246,107 0.551,108 0.738,109 0.815,110 0.823,111 0.823,112 3.408,113 0.92,114 -3.98,115 -3.93,116 -3.73,119 41.8,120 1,124 2,125 5,135 1,137 1,138 7,139 2,140 3,151 1,163 8,165 1,166 8,172 9,175 3,176 10,183 6,186 1,187 10,194 4,198 5,205 5,208 4,209 5,217 7,220 1,221 3,227 5,231 7,238 5,242 4,249 4,252 1347,253 19.679,254 19.679,255 19.679,256 19.679,257 19.679,258 17.865,259 28.367,260 11.424,261 20.29,262 15.699,263 15.699,264 15.699,265 15.699,266 15.699,267 12.814,268 37.8,269 5.355,270 16.572,271 4.296,272 2.45,273 1.321,274 0.855,275 0.805,276 0.805,277 4.105,282 1,283 1,284 844,285 2.828,288 347.635,292 131.736,295 2.221,296 24.885,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 63,308 389,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.078,319 3.089,320 6.194,321 3.716,322 2.765,323 3.639,324 1.151,325 9.106,326 2.632,327 4.023,328 2.997,329 5.5,330 3.62,331 2.649,332 3.532,333 0.86,334 7.383,335 2.574,336 3.59,337 2.925,338 5.369,339 3.353,340 2.421,341 2.84,342 0.8,343 6.896,344 2.251,345 3.463,346 2.762,347 5.196,348 3.197,349 2.256,350 2.718,351 0.8,352 6.326,353 2.115,354 3.422,355 2.606,356 5.124,357 3.076,358 2.113,359 2.517,361 6.219,362 2.02,363 3.29,364 2.421,365 5.027,366 2.938,367 2.007,368 2.398,370 5.825,371 1.844,372 2.868,373 2.137,374 4.792,375 2.631,376 1.691,377 1.892,379 5.009,380 1.578,381 2.61,382 1.451,383 3.91,384 2.125,385 1.133,386 1.598,388 2.858,389 1.118,390 2.5,391 1.282,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 2,400 1.146,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.983,409 1,410 3.343,411 1.7,412 0.804,413 0.913,415 1.821,416 0.711,417 1.621,418 0.984,419 3.185,420 1.328,421 0.453,422 0.507,424 0.772,425 0.39,426 1.416,427 0.827,428 2.823,429 1.182,430 0.22,431 0.236,433 0.521,434 0.21,435 1.182,436 0.542,437 2.719,438 0.865,439 -0.096,440 -0.119,442 -0.241,443 -0.09,444 13.633,445 0.47,446 0.712,447 0.025,448 35.75,449 1.233,450 16.5,451 0.569,452 19.25,453 0.664,454 25.015,455 0.863,456 31.967,457 0.581,458 27.572,459 0.951,460 7.375,461 0.254,462 6.671,463 0.23,464 0.134,466 0.352,472 0.813,473 1.452,474 0.791,475 1.236,476 0.623,477 1.044,478 1.155,479 0.914,480 0.88,481 0.794,482 0.627,483 0.768,484 0.979,485 1.053,486 1.021,487 1.096,488 0.744,489 1.065,490 0.884,491 1.166,492 1.001,493 1.189,494 0.882,495 1.13,496 1.362,497 0.891,498 1.038,499 0.888,500 1.848,501 0.907,502 1.071,503 0.886,504 1.035,505 0.906,506 1.449,507 0.963,508 0.766,509 1.089,510 0.997,511 1.14,512 0.804,513 1.116,514 1.336,515 0.986,516 1.105,517 0.992,518 1.534,519 1.014,520 6,521 0.169,522 3.333,523 2,524 2.133,525 1.028,526 0.644,527 0.378,528 0.34,529 0.177,530 11670,531 28330,532 2.09,533 47.3,534 3,535 23,542 1.715,543 1.955,544 3.657,545 -0.785,547 1,550 81.721,551 1.486,552 3.331,553 4.46,554 4.926,555 4.977,556 4.977,557 3.28,558 4.306,559 4.821,560 3.821,561 1551.16,562 8.376,563 21309.6,565 1,567 1,568 317.975,569 1.416,570 4.788,571 0.188,572 0.008,573 0.074,574 0.042,575 0.051,576 0.028,577 0.019,578 0.013,579 0.014,580 0.007,581 0.443,582 0.5,583 1,584 0.729,585 149.137,586 -0.006,587 -0.269,588 0.082,589 -0.142,590 -0.021,591 -0.037,592 -0.048,593 0.209,594 0.092,595 0.187,596 0.11,597 0.178,598 -0.006,599 0.038,600 -0.079,601 -0.079,602 0.023,603 -0.089,604 0.037,605 -0.183,606 -0.041,607 -0.18,608 0.045,609 -0.132,610 -0.159,611 0.038,612 -0.012,613 0.069,614 -0.197,615 0.056,616 0.109,617 0.078,618 -0.028,619 0.071,620 0.001,621 0.004,622 0.016,623 -0.092,624 -0.056,625 -0.125,626 -0.003,627 -0.107,628 -0.164,629 -0.056,630 -0.092,631 -0.019,632 -0.186,633 -0.043,634 1.952,635 5.711,636 0.759,637 33.805,638 1.002,639 1.124,640 2.748,641 7.55,642 0.654,643 3.497,644 3.829,645 4.111,646 4.369,647 4.635,648 4.718,649 4.82,650 4.956,651 5.081,652 5.112,653 7.412,654 0.622,655 394.51,656 3.497,657 5.043,658 5.9,659 6.781,660 7.654,661 8.542,662 9.423,663 10.315,664 11.202,665 12.098,666 3.6,669 2,681 7,686 5,688 12,701 2,703 55,705 14,706 2,707 32,709 58,710 23,711 12,712 5,713 7,714 3,717 4,718 5,721 1,729 15,730 8,733 2,737 1,741 3,744 1,747 26,748 6,750 6,755 2,760 0.75,761 4,776 4,780 1,786 1,788 1,789 1,792 2,796 3,801 3,805 29,810 5,812 3,815 2,825 7.3,828 1,830 3,832 14.833,833 10.9,834 6.389,835 3.233,836 2.59,837 1.332,838 0.973,839 5.901,840 10.386,841 3.714,842 4.277,843 4.816,844 5.334,845 5.857,846 6.086,847 6.364,848 6.731,849 7.072,850 7.248,851 1,852 48,853 10.749,854 4.52,855 7.649,856 20.746,857 16.916,859 2.149,860 62.333,862 1,863 1,864 306.049,865 142.689,866 6.249,868 58.145,871 142.689,872 364.193,873 6.249,874 28.105,875 13.015,876 66.334,877 35.093,878 64.535,880 306.049,882 306.049,883 148.937,884 58.145,887 306.049,888 58.145,891 28.089,892 118.092,893 2.757,895 306.049,896 64.393,897 142.689,900 306.049,901 48.25,902 100.687,904 58.145,905 306.049,906 64.393,907 142.689,909 0.584,910 0.346,911 0.183,912 0.103,913 22,914 10,915 0.086,916 5,917 1,918 1.091,919 4.098,920 254.313,921 0.091,922 22,923 130.127,928 19.956,929 8.576,930 4.321,932 64.393,933 13.422,938 4.012,941 513.131,942 40,946 12.711,950 1.354,952 55.116,953 61.817,954 0.257,955 0.576,956 0.771,957 0.852,958 0.861,959 0.861,960 4.97,961 1.691,962 5.889,963 5.825,964 4.511,965 4.963,966 2.538,967 6.703,968 4.413,969 6.162,970 1.133,971 7.452,972 5.009,973 4.111,974 4.758,975 0.57,976 7.618,977 3.976,978 7.468,979 1,980 9.112,981 2.858,982 6.111,983 7.09,984 3.102,985 10.722,986 5.93,987 8.807,988 1,989 10.831,990 2.275,991 6.509,992 7.675,993 0.479,994 12.482,995 6.297,996 10.177,997 0.804,998 12.588,999 2.275,1000 7.984,1001 9.508,1002 3.933,1003 15.136,1004 7.736,1005 11.57,1006 0.453,1007 14.374,1008 1.821,1009 8.764,1010 10.47,1011 0.346,1012 17.275,1013 8.489,1014 12.981,1015 0.22,1016 16.183,1017 0.772,1018 10.033,1019 12.09,1020 4.88,1021 19.783,1022 9.726,1023 3.26,1024 -0.096,1025 18.01,1026 0.521,1027 11.007,1028 13.253,1029 0.237,1030 22.091,1031 10.674,1032 2.765,1033 11.49,1034 19.853,1035 -0.241,1036 12.197,1037 14.769,1038 5.876,1039 24.55,1040 11.835,1041 2.649,1042 9.106,1043 21.71,1044 4.189,1045 13.268,1046 16.043,1047 0.158,1048 26.931,1049 12.88,1050 2.421,1051 7.383,1052 23.578,1053 3.639,1054 14.433,1055 17.508,1056 6.891,1057 29.374,1058 14.016,1059 2.256,1060 6.896,1061 25.455,1062 3.532,1063 15.554,1064 18.845,1065 0.104,1066 31.786,1067 15.108,1068 2.113,1069 6.326,1070 27.341,1071 2.84,1072 16.715,1073 20.285,1074 7.915,1075 34.225,1076 16.241,1077 2.007,1078 6.219,1079 29.234,1080 2.718,1081 17.861,1082 21.659,1083 0.068,1084 36.651,1085 17.357,1086 11092,1087 17444,1088 21.383,1089 35.966,1090 47.921,1091 49.33,1092 49.639,1093 47.523,1094 47.543,1095 58.957,1096 10.57,1097 137.552,1098 45.131,1099 5.597,1100 5.802,1101 6.457,1102 5.328,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 14.321,1109 1.498,1110 1.542,1111 1.551,1112 1.485,1113 1.486,1114 1.842,1115 0.33,1116 4.299,1117 1.41,1118 4.033,1119 4.053,1120 3.993,1121 3.937,1122 7.433,1123 3.947,1124 3.907,1125 3.931,1126 3.848,1127 3.834,1128 4.93,1129 3.833,1130 3.802,1131 3.862,1132 3.7,1133 3.623,1134 4.834,1135 3.634,1136 3.53,1137 3.562,1138 3.455,1139 3.378,1140 4.53,1141 3.387,1142 3.311,1143 3.361,1144 3.178,1145 3.077,1146 4.387,1147 3.093,1148 3.162,1149 3.262,1150 3.036,1151 2.941,1152 4.292,1153 2.924,1154 3.132,1155 3.206,1156 2.947,1157 2.917,1158 4.086,1159 2.91,1160 3.111,1161 3.164,1162 2.866,1163 2.851,1164 3.991,1165 2.869,1166 0.144,1167 0.119,1168 0.216,1169 0.132,1170 0.102,1171 4.597,1172 0.131,1173 3.802,1174 0.052,1175 6.902,1176 0.359,1177 4.229,1178 0.099,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.962,1185 1.948,1186 2.052,1187 2.085,1188 1.307,1189 2.074,1190 1.893,1191 1.871,1192 2.009,1193 2.002,1194 1.159,1195 2.005,1196 1.758,1197 1.692,1198 1.948,1199 1.949,1200 1.12,1201 1.952,1202 1.485,1203 1.448,1204 1.687,1205 1.668,1206 0.825,1207 1.668,1208 1.249,1209 1.197,1210 1.583,1211 1.538,1212 0.797,1213 1.552,1214 1.155,1215 1.064,1216 1.538,1217 1.438,1218 0.638,1219 1.478,1220 1.153,1221 1.052,1222 1.513,1223 1.376,1224 0.624,1225 1.429,1226 1.055,1227 0.986,1228 1.382,1229 1.347,1230 0.525,1231 1.349,1232 4.174,1233 5.501,1235 7.033,1237 8.658,1239 10.335,1241 5.733,1247 3.968,1249 16.735,1252 4.398,1257 34.224,1258 81.721,1259 183.206,1260 245.304,1261 270.955,1262 273.71,1263 273.71,1264 45.689,1265 7.796,1266 55.15,1267 55.15,1268 24,1269 12.625,1270 3.907,1271 3.17,1272 45.016,1273 129,1274 148,1275 0.172,1276 207.975,1277 371.26,1278 499.219,1279 26830,1281 20.38,1282 0.703,1283 0.59,1284 20.38,1285 17.104,1286 14.046,1287 0.439,1288 0.307,1289 9.634,1290 13.365,1291 9.309,1292 7.732,1293 14.046,1294 9.816,1295 12.645,1296 0.281,1297 0.166,1298 12.645,1299 7.448,1300 10.896,1301 0.182,1302 0.092,1303 10.896,1304 5.492,1305 9.013,1306 0.116,1307 0.047,1308 9.013,1309 3.7,1310 7.356,1311 0.072,1312 0.025,1313 7.356,1314 2.59,1315 0.276,1316 88.966,1317 0.216,1318 27.929,1319 0.458,1320 154,1321 462.232,1322 171.116,1323 432.303,1324 593.09,1325 408,1326 182,1327 435.487,1328 200.119,1329 439.61,1330 644.88,1331 410,1332 5.135}
{0 CHEMBL603104,1 1.574,2 12,3 3.63,4 13.175,5 110.034,6 7.54,7 0.367,8 4.032,9 4.137,10 3.664,11 3.596,12 5.049,13 3.55,14 4.603,15 4.778,16 4.027,17 3.99,18 5.594,19 3.926,20 4.813,21 5.001,22 4.014,23 4.118,24 5.745,25 4.026,26 4.904,27 5.113,28 3.992,29 4.121,30 5.852,31 4.014,32 4.957,33 5.19,34 3.866,35 4.025,36 5.935,37 3.924,38 4.768,39 4.994,40 3.792,41 3.915,42 5.767,43 3.8,44 4.592,45 4.806,46 3.678,47 3.869,48 5.502,49 3.73,50 4.544,51 4.756,52 3.536,53 3.744,54 5.481,55 3.598,56 0.002,57 0.721,58 11.246,59 5.185,60 5.899,61 6.421,62 0.294,63 1.222,64 23.59,65 8.534,66 26.712,67 10.729,68 0.37,69 1.441,70 30.629,71 11.19,72 25.003,73 14.012,74 0.29,75 1.496,76 32.58,77 12.382,78 32.479,79 16.113,80 0.476,81 1.464,82 34.791,83 11.949,84 61.091,85 15.271,86 0.573,87 1.243,88 29.196,89 10.258,90 56.577,91 13.13,92 0.265,93 1.117,94 24.997,95 9.454,96 27.08,97 11.955,98 0.239,99 1.03,100 23.767,101 8.764,102 34.651,103 11.052,104 10,105 42,106 0.265,107 0.584,108 0.779,109 0.844,110 0.844,111 0.844,112 3.34,113 1.016,114 -4.13,115 -4.07,116 -3.85,119 41.2,120 1,121 1,124 1,125 5,135 1,137 1,138 5,139 1,140 2,147 1,148 1,151 1,163 5,165 1,166 6,172 9,175 3,176 6,183 5,186 1,187 9,194 4,198 6,205 1,208 3,209 5,217 5,220 1,221 1,227 5,231 5,238 4,242 2,249 3,252 1094,253 18.361,254 18.361,255 18.361,256 18.361,257 18.361,258 16.65,259 24.054,260 10.826,261 19.025,262 14.805,263 14.805,264 14.805,265 14.805,266 14.805,267 12.154,268 30.827,269 5.159,270 15.85,271 4.099,272 2.2,273 1.042,274 0.657,275 0.657,276 0.657,277 4.037,282 1,283 1,284 709,285 2.739,287 81.173,288 224.637,292 119.815,295 2.222,296 21.833,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 58,308 324,309 4.597,310 3.802,311 6.902,312 4.229,313 3.26,314 4.189,315 1.674,316 11.49,317 3.157,318 4.065,319 3.063,320 6.193,321 3.71,322 2.759,323 3.537,324 0.86,325 9.105,326 2.624,327 3.919,328 2.995,329 5.392,330 3.456,331 2.546,332 3.477,333 0.8,334 7.033,335 2.302,336 3.573,337 2.799,338 5.34,339 3.347,340 2.416,341 2.808,342 0.8,343 6.876,344 2.242,345 3.434,346 2.674,347 5.196,348 3.163,349 2.216,350 2.517,352 6.312,353 2.092,354 3.299,355 2.554,356 5.063,357 2.948,358 2.015,359 2.401,361 5.852,362 1.852,363 2.87,364 2.148,365 4.794,366 2.64,367 1.703,368 1.892,370 5.017,371 1.585,372 2.718,373 1.641,374 3.91,375 2.362,376 1.412,377 1.78,379 3.021,380 1.33,381 2.606,382 1.394,383 3.614,384 2.12,385 1.128,386 1.595,388 2.838,389 1.113,390 2.151,391 1.184,392 3.414,393 1.967,394 1,395 1.089,397 2.275,398 0.965,399 2.118,400 1.146,401 3.298,402 1.822,403 0.903,404 1,406 2.033,407 0.816,408 2,409 0.837,410 3.155,411 1.463,412 0.618,413 0.927,415 1.372,416 0.507,417 1.482,418 0.618,419 3,420 1.221,421 0.251,422 0.273,424 0.634,425 0.24,426 1.185,427 0.545,428 2.813,429 0.928,430 -0.019,431 -0.023,433 -0.048,434 -0.018,435 1.089,436 0.202,437 2.586,438 0.761,439 -0.176,440 -0.209,442 -0.451,443 -0.163,444 13.133,445 0.486,446 0.644,447 0.024,448 31.75,449 1.176,450 14,451 0.519,452 17.75,453 0.657,454 24.827,455 0.92,456 29.467,457 0.578,458 22.34,459 0.827,460 6.185,461 0.229,462 6.929,463 0.257,464 0.102,466 0.327,472 0.788,473 1.349,474 0.753,475 1.062,476 0.588,477 0.992,478 1.051,479 0.94,480 0.89,481 0.83,482 0.552,483 0.812,484 1.052,485 0.995,486 1.107,487 1.07,488 0.758,489 1.036,490 0.827,491 1.179,492 0.882,493 1.149,494 0.858,495 1.123,496 1.633,497 0.889,498 0.855,499 0.792,500 2.001,501 0.911,502 1.295,503 0.798,504 0.845,505 0.743,506 1.538,507 0.873,508 0.959,509 0.971,510 1.048,511 1.016,512 0.887,513 1.043,514 1.162,515 1.163,516 1.073,517 1.156,518 1.603,519 1.205,520 5,521 0.117,522 2.889,523 2.097,524 1.716,525 0.955,526 0.61,527 0.314,528 0.25,529 0.147,530 9691,531 23611,532 2.12,533 47.1,534 3,535 18,536 1,539 2,542 1.697,543 2,544 3.511,545 -0.769,547 1,550 80.261,551 1.574,552 3.473,553 4.631,554 5.015,555 5.015,556 5.015,557 3.134,558 4.385,559 4.717,560 3.711,561 1302.67,562 8.173,563 16829.1,565 1,567 1,568 289.294,569 1.352,570 4.694,571 0.167,572 0.007,573 0.069,574 0.05,575 0.044,576 0.028,577 0.02,578 0.011,579 0.011,580 0.008,581 0.414,582 0.33,583 1,584 0.528,585 135.04,586 0.001,587 -0.212,588 0.089,589 -0.055,590 -0.011,591 -0.013,592 0.004,593 0.176,594 0.067,595 0.139,596 0.134,597 0.129,598 -0.005,599 0.056,600 -0.141,601 -0.087,602 0.011,603 -0.076,604 0.115,605 -0.223,606 -0.025,607 -0.221,608 0.088,609 -0.145,610 -0.196,611 0.007,612 -0.018,613 0.046,614 -0.208,615 0.016,616 0.04,617 0.125,618 0.04,619 0.144,620 -0.014,621 0.07,622 -0.043,623 0.014,624 -0.077,625 -0.016,626 -0.037,627 -0.051,628 -0.112,629 -0.214,630 -0.141,631 -0.193,632 -0.233,633 -0.229,634 1.93,635 5.654,636 0.778,637 30.354,638 1,639 1.12,640 2.896,641 8.385,642 0.674,643 3.434,644 3.761,645 4.043,646 4.317,647 4.511,648 4.625,649 4.745,650 4.875,651 4.97,652 5.004,653 6.917,654 0.631,655 384.54,656 3.434,657 4.977,658 5.832,659 6.713,660 7.584,661 8.473,662 9.353,663 10.248,664 11.134,665 12.033,666 3.9,669 2,681 6,685 1,686 4,688 11,701 1,703 51,705 13,706 1,707 30,709 54,710 21,711 10,712 3,713 3,714 3,717 4,718 5,721 1,727 1,729 13,730 8,733 2,737 1,741 3,744 1,747 24,748 5,750 6,751 1,755 2,760 0.75,761 3,775 1,776 3,780 1,786 1,788 1,789 1,792 2,796 3,799 1,801 2,805 27,810 6,812 2,815 2,820 1,825 5.9,828 1,830 2,832 13.5,833 9.817,834 5.889,835 3.122,836 2.257,837 1.298,838 0.987,839 5.62,840 9.825,841 3.651,842 4.201,843 4.733,844 5.257,845 5.625,846 5.932,847 6.238,848 6.599,849 6.861,850 6.975,851 1,852 42,853 10.038,854 4.257,855 7.593,856 19.578,857 16.242,859 2.093,860 56.5,862 1,863 1,864 282.506,865 147.244,866 6.249,868 47.145,870 31.278,871 115.966,872 329.651,873 6.249,874 17.222,875 15.55,876 55.03,877 35.093,878 45.106,879 13.13,880 302.013,882 282.506,883 122.215,884 47.145,885 31.278,887 282.506,888 47.145,891 30.624,892 88.834,893 2.757,894 31.278,895 282.506,896 53.393,897 147.244,900 282.506,901 74.992,902 78.501,904 47.145,905 282.506,906 53.393,907 147.244,909 0.583,910 0.342,911 0.187,912 0.095,913 21,914 9,915 0.093,916 5,917 1,918 1.095,919 3.972,920 231.058,921 0.095,922 21,923 124.382,924 1,928 18.665,929 8.13,930 4.103,932 53.393,933 12,937 1.732,938 3.585,941 483.144,942 37.5,946 12.654,950 1.415,952 50.982,953 57.112,954 0.277,955 0.612,956 0.816,957 0.884,958 0.884,959 0.884,960 4.903,961 1.412,962 5.814,963 5.017,964 4.443,965 4.887,966 2.303,967 6.627,968 4.32,969 6.087,970 1.128,971 7.372,972 3.021,973 4.007,974 4.635,975 0.57,976 7.535,977 3.844,978 7.387,979 1,980 9.032,981 2.838,982 6.033,983 6.994,984 2.93,985 10.663,986 5.81,987 8.721,988 0.903,989 10.753,990 2.275,991 6.431,992 7.594,993 0.479,994 12.44,995 6.179,996 10.091,997 0.618,998 12.516,999 2.033,1000 7.91,1001 9.406,1002 3.838,1003 15.104,1004 7.613,1005 11.486,1006 0.251,1007 14.309,1008 1.372,1009 8.703,1010 10.406,1011 0.346,1012 17.256,1013 8.386,1014 12.901,1015 -0.019,1016 16.126,1017 0.634,1018 9.972,1019 11.993,1020 4.832,1021 19.768,1022 9.619,1023 3.26,1024 -0.176,1025 17.961,1026 -0.048,1027 10.958,1028 13.194,1029 0.237,1030 22.082,1031 10.588,1032 2.759,1033 11.49,1034 19.811,1035 -0.451,1036 12.149,1037 14.683,1038 5.852,1039 24.543,1040 11.75,1041 2.546,1042 9.105,1043 21.675,1044 4.189,1045 13.23,1046 15.987,1047 0.158,1048 26.927,1049 12.811,1050 2.416,1051 7.033,1052 23.548,1053 3.537,1054 14.397,1055 17.435,1056 6.88,1057 29.371,1058 13.952,1059 2.216,1060 6.876,1061 25.431,1062 3.477,1063 15.524,1064 18.793,1065 0.104,1066 31.784,1067 15.056,1068 2.015,1069 6.312,1070 27.321,1071 2.808,1072 16.688,1073 20.224,1074 7.91,1075 34.223,1076 16.194,1077 1.703,1078 5.852,1079 29.218,1080 2.517,1081 17.838,1082 21.612,1083 0.068,1084 36.651,1085 17.319,1086 9111,1087 14390,1088 20.285,1089 34.398,1090 45.166,1091 45.84,1092 45.771,1093 44.455,1094 44.456,1095 54.972,1096 8.269,1097 127.717,1098 41.649,1099 5.597,1100 5.802,1101 6.56,1102 5.336,1103 5.26,1104 7.189,1105 3.349,1106 19.05,1107 5.157,1108 11.442,1109 1.506,1110 1.528,1111 1.526,1112 1.482,1113 1.482,1114 1.832,1115 0.276,1116 4.257,1117 1.388,1118 4.029,1119 4.048,1120 4.218,1121 3.948,1122 7.433,1123 3.943,1124 3.87,1125 3.887,1126 3.983,1127 3.898,1128 4.901,1129 3.825,1130 3.802,1131 3.859,1132 3.702,1133 3.624,1134 4.67,1135 3.635,1136 3.54,1137 3.572,1138 3.469,1139 3.386,1140 4.504,1141 3.394,1142 3.323,1143 3.384,1144 3.194,1145 3.163,1146 4.362,1147 3.149,1148 3.157,1149 3.258,1150 3.034,1151 2.941,1152 4.086,1153 2.921,1154 3.129,1155 3.206,1156 2.926,1157 2.916,1158 4.034,1159 2.91,1160 3.111,1161 3.158,1162 2.866,1163 2.851,1164 3.769,1165 2.867,1166 0.153,1167 0.127,1168 0.23,1169 0.141,1170 0.109,1171 4.597,1172 0.14,1173 3.802,1174 0.056,1175 6.902,1176 0.383,1177 4.229,1178 0.105,1179 3.26,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.959,1185 1.945,1186 2.048,1187 2.083,1188 1.307,1189 2.072,1190 1.762,1191 1.698,1192 1.955,1193 1.964,1194 1.158,1195 1.965,1196 1.636,1197 1.603,1198 1.817,1199 1.778,1200 1.104,1201 1.798,1202 1.477,1203 1.438,1204 1.679,1205 1.633,1206 0.825,1207 1.647,1208 1.413,1209 1.389,1210 1.575,1211 1.513,1212 0.791,1213 1.558,1214 1.155,1215 1.064,1216 1.538,1217 1.435,1218 0.662,1219 1.477,1220 1.153,1221 1.056,1222 1.513,1223 1.376,1224 0.635,1225 1.429,1226 1.04,1227 1.007,1228 1.242,1229 1.335,1230 0.434,1231 1.304,1232 4.111,1233 5.434,1234 2.398,1235 6.952,1236 4.443,1237 8.568,1238 6.26,1239 10.241,1241 4.108,1247 5.076,1249 11.512,1252 4.417,1257 32.169,1258 80.261,1259 177.116,1260 236.174,1261 255.784,1262 255.784,1263 255.784,1264 41.051,1265 7.568,1266 45.92,1267 74.16,1268 23,1269 12.558,1270 3.807,1271 3.087,1272 40.432,1273 112,1274 110,1275 0.179,1276 198.853,1277 349.02,1278 476.96,1279 20039,1281 18.803,1282 0.696,1283 0.613,1284 19.156,1285 16.551,1286 13.114,1287 0.437,1288 0.339,1289 9.215,1290 12.079,1291 8.863,1292 7.306,1293 13.568,1294 10.157,1295 11.854,1296 0.282,1297 0.191,1298 12.464,1299 8.021,1300 10.068,1301 0.18,1302 0.108,1303 10.704,1304 6.061,1305 8.607,1306 0.116,1307 0.057,1308 9.185,1309 4.226,1310 6.433,1311 0.071,1312 0.029,1313 6.679,1314 2.6,1315 0.285,1316 86.8,1317 0.222,1318 26.281,1319 0.482,1320 144,1321 411.357,1322 180.52,1323 408.686,1324 561.8,1325 386,1326 170,1327 399.341,1328 201.832,1329 414.917,1330 610.65,1331 390,1332 6.278}
{0 CHEMBL603701,1 1.551,2 13,3 2.931,4 8.593,5 113.726,6 7.817,7 0.364,8 4.065,9 4.16,10 3.661,11 3.596,12 5.253,13 3.597,14 4.58,15 4.728,16 4.042,17 3.983,18 5.77,19 3.971,20 4.861,21 5.032,22 4.154,23 4.161,24 5.997,25 4.127,26 4.958,27 5.135,28 4.155,29 4.16,30 6.215,31 4.112,32 5.007,33 5.194,34 3.987,35 4.073,36 6.205,37 4.017,38 4.89,39 5.124,40 3.889,41 3.948,42 6.108,43 3.874,44 4.715,45 4.924,46 3.717,47 3.87,48 5.82,49 3.79,50 4.679,51 4.904,52 3.656,53 3.804,54 5.875,55 3.7,56 0.103,57 0.712,58 9.798,59 4.826,60 16.185,61 5.657,62 0.348,63 1.178,64 18.473,65 7.599,66 27.69,67 9.566,68 0.493,69 1.479,70 26.341,71 10.38,72 48.722,73 12.981,74 0.678,75 1.534,76 30.175,77 11.76,78 93.659,79 14.848,80 0.924,81 1.517,82 34.571,83 11.593,84 123.826,85 13.794,86 0.836,87 1.402,88 31.854,89 10.406,90 117.621,91 14.038,92 0.542,93 1.205,94 25.212,95 8.905,96 76.113,97 11.4,98 0.572,99 1.147,100 24.657,101 9.08,102 86.419,103 12.279,104 26,105 47,106 0.258,107 0.592,108 0.719,109 0.795,110 0.842,111 0.842,112 3.44,113 0.882,114 -3.48,115 -3.45,116 -3.3,119 44.2,120 1,125 4,134 2,135 1,137 1,138 7,139 2,140 3,151 2,163 10,165 2,166 5,171 4,172 13,175 3,176 6,181 1,183 9,187 7,190 2,191 1,192 3,194 5,197 1,198 8,201 1,203 1,205 1,208 2,209 8,212 2,214 1,221 4,224 1,227 1,230 2,231 8,234 1,238 3,242 4,249 3,252 1480,253 20.068,254 20.068,255 20.068,256 20.068,257 20.068,258 17.886,259 22.442,260 11.694,261 20.426,262 16.256,263 16.256,264 16.256,265 16.256,266 16.256,267 12.867,268 30.708,269 5.541,270 16.833,271 4.149,272 2.134,273 1.368,274 0.914,275 0.63,276 0.63,277 4.134,282 1,283 1,284 847,285 3.162,288 374.744,292 144.309,295 2,296 41.517,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 66,308 390,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.674,316 11.821,317 3.204,318 4.141,319 3.616,320 6.384,321 3.826,322 2.872,323 3.592,324 1.2,325 9.655,326 2.739,327 4.035,328 3.173,329 6.02,330 3.693,331 2.722,332 3.534,333 0.8,334 8.542,335 2.64,336 3.858,337 2.937,338 5.339,339 3.49,340 2.496,341 3.144,342 0.293,343 6.958,344 2.475,345 3.509,346 2.518,347 5.295,348 3.148,349 2.189,350 2.784,352 6.454,353 2.091,354 3.403,355 2.492,356 5.159,357 3.08,358 2.144,359 2.609,361 6.193,362 1.993,363 3.154,364 2.314,365 4.921,366 2.791,367 1.823,368 2.272,370 5.324,371 1.748,372 3.04,373 2.219,374 4.659,375 2.598,376 1.632,377 2.164,379 4.47,380 1.563,381 2.947,382 1.958,383 4.185,384 2.521,385 1.539,386 2.019,388 3.756,389 1.506,390 2.598,391 1.522,392 3.608,393 2.285,394 1.302,395 1.555,397 3.035,398 1.268,399 2.5,400 1.146,401 3.414,402 2,403 1,404 1.5,406 2.275,407 1,408 2.183,409 1,410 3.344,411 1.967,412 1,413 1,415 2.136,416 0.965,417 2,418 0.99,419 3.247,420 1.5,421 0.482,422 0.742,424 1.114,425 0.487,426 1.541,427 0.836,428 3.058,429 1.175,430 0.193,431 0.233,433 0.525,434 0.186,435 1.178,436 0.533,437 2.923,438 0.904,439 -0.045,440 -0.053,442 -0.123,443 -0.043,444 13.967,445 0.466,446 0.822,447 0.027,448 39,449 1.3,450 19.5,451 0.65,452 19.5,453 0.65,454 24.55,455 0.818,456 32.233,457 0.62,458 31.966,459 1.066,460 8.016,461 0.267,462 6.419,463 0.214,464 0.131,466 0.379,472 0.825,473 1.265,474 0.755,475 1.043,476 0.724,477 0.912,478 0.696,479 1.093,480 0.789,481 0.961,482 0.497,483 0.888,484 0.899,485 0.991,486 0.945,487 1.012,488 0.825,489 0.984,490 0.852,491 1.19,492 0.971,493 1.199,494 0.944,495 1.127,496 1.598,497 1.058,498 1.309,499 1.024,500 1.616,501 1.1,502 0.904,503 0.914,504 0.929,505 0.871,506 0.887,507 0.895,508 1.119,509 0.988,510 1.148,511 0.99,512 1.236,513 1.056,514 0.654,515 1.082,516 0.968,517 1.099,518 0.721,519 1.106,520 6,521 0.169,522 3.556,523 2.875,524 2.093,525 1.368,526 0.687,527 0.361,528 0.303,529 0.224,530 12591,531 36509,532 2.067,533 42.3,534 3,535 17,538 2,542 1.724,543 1.915,544 3.596,545 0.21,546 1,547 1,550 80.664,551 1.551,552 3.566,553 4.332,554 4.787,555 5.071,556 5.071,557 3.083,558 4.507,559 4.874,560 3.797,561 1651.9,562 8.483,563 23201.1,565 1,567 1,568 296.423,569 1.475,570 4.828,571 0.182,572 0.008,573 0.076,574 0.056,575 0.044,576 0.035,577 0.019,578 0.012,579 0.011,580 0.01,581 0.452,582 0.5,583 1,584 0.594,585 155.511,586 -0.085,587 -0.133,588 0.025,589 -0.006,590 -0.09,591 0.023,592 0.069,593 0.042,594 0.067,595 0.022,596 0.091,597 0.047,598 -0.024,599 0.075,600 -0.032,601 -0.032,602 -0.048,603 -0.031,604 0.128,605 -0.204,606 -0.017,607 -0.208,608 0.069,609 -0.154,610 -0.252,611 -0.115,612 -0.267,613 -0.071,614 -0.27,615 -0.164,616 0.108,617 0.052,618 0.114,619 0.077,620 0.147,621 0.093,622 -0.142,623 0.004,624 -0.158,625 -0.025,626 -0.167,627 -0.082,628 0.182,629 -0.129,630 0.024,631 -0.114,632 0.157,633 -0.089,634 2.2,635 5.587,636 0.733,637 32.578,638 1.013,639 1.119,640 2.245,641 5.04,642 0.671,643 3.526,644 3.871,645 4.159,646 4.443,647 4.654,648 4.771,649 4.844,650 4.997,651 5.017,652 5.1,653 7.401,654 0.652,655 406.47,656 3.526,657 5.081,658 5.943,659 6.834,660 7.71,661 8.609,662 9.493,663 10.398,664 11.287,665 12.196,666 3.8,669 1,673 1,681 7,686 5,688 12,700 2,703 52,705 16,706 2,707 33,709 55,710 23,711 12,712 5,713 7,714 6,717 4,718 5,721 1,729 18,730 5,733 4,737 2,739 2,741 4,744 1,747 22,748 7,749 2,750 7,755 2,760 0.75,761 5,776 4,780 1,784 1,786 1,788 3,789 1,792 1,796 3,801 1,805 30,809 2,810 4,812 1,815 2,825 9.6,827 2,828 2,830 1,832 15.667,833 9.55,834 6.528,835 3.051,836 3.056,837 1.391,838 0.951,839 5.727,840 10.877,841 3.784,842 4.357,843 4.905,844 5.428,845 5.9,846 6.15,847 6.36,848 6.713,849 6.876,850 6.957,851 0.889,852 51,853 11.172,854 4.901,855 7.983,856 20.83,857 17.214,859 2.483,860 74.5,863 1,864 235.422,865 131.987,866 6.249,868 146.656,871 131.987,872 382.078,873 6.249,874 8.825,875 11.547,876 85.286,877 150.309,878 28.924,880 235.422,882 235.422,883 138.236,884 146.656,887 235.422,888 146.656,891 23.497,892 93.03,893 21.709,895 235.422,896 152.905,897 131.987,900 235.422,901 37.876,902 100.36,904 146.656,905 235.422,906 152.905,907 131.987,909 0.588,910 0.349,911 0.192,912 0.1,913 23,914 11,915 0.055,916 3,917 1,918 1.091,919 4.123,920 268.782,921 0.091,922 22,923 139.207,928 20.355,929 8.441,930 4.195,932 152.905,933 12.139,938 1.17,940 85.367,941 520.314,942 43,946 25.071,948 3.347,950 0.348,952 52.676,953 58.196,954 0.272,955 0.626,956 0.76,957 0.84,958 0.889,959 0.889,960 5.043,961 1.632,962 5.943,963 5.324,964 4.554,965 5.043,966 2.346,967 6.781,968 4.485,969 6.253,970 1.539,971 7.521,972 4.47,973 4.205,974 4.856,975 0.57,976 7.745,977 4.091,978 7.566,979 1.302,980 9.201,981 3.756,982 6.172,983 7.183,984 3.031,985 10.879,986 6.034,987 8.911,988 1,989 10.941,990 3.035,991 6.621,992 7.786,993 0.801,994 12.691,995 6.442,996 10.288,997 1,998 12.721,999 2.275,1000 8.083,1001 9.616,1002 3.913,1003 15.368,1004 7.879,1005 11.689,1006 0.482,1007 14.529,1008 2.136,1009 8.91,1010 10.608,1011 1.074,1012 17.545,1013 8.668,1014 13.108,1015 0.193,1016 16.36,1017 1.114,1018 10.177,1019 12.226,1020 4.876,1021 20.07,1022 9.907,1023 3.308,1024 -0.045,1025 18.207,1026 0.525,1027 11.186,1028 13.425,1029 1.404,1030 22.407,1031 10.88,1032 2.872,1033 11.821,1034 20.069,1035 -0.123,1036 12.381,1037 14.946,1038 5.875,1039 24.883,1040 12.046,1041 2.722,1042 9.655,1043 21.942,1044 4.295,1045 13.477,1046 16.258,1047 1.768,1048 27.289,1049 13.107,1050 2.496,1051 8.542,1052 23.825,1053 3.592,1054 14.65,1055 17.735,1056 6.892,1057 29.751,1058 14.25,1059 2.189,1060 6.958,1061 25.717,1062 3.534,1063 15.788,1064 19.11,1065 2.15,1066 32.188,1067 15.355,1068 2.144,1069 6.454,1070 27.615,1071 3.144,1072 16.959,1073 20.568,1074 7.916,1075 34.649,1076 16.495,1077 1.823,1078 6.193,1079 29.518,1080 2.784,1081 18.119,1082 21.977,1083 2.538,1084 37.101,1085 17.623,1086 11936,1087 20495,1088 21.789,1089 34.898,1090 50.635,1091 51.835,1092 51.642,1093 49.557,1094 49.406,1095 62.886,1096 7.934,1097 144.514,1098 47.729,1099 5.651,1100 5.811,1101 6.795,1102 5.37,1103 5.308,1104 7.295,1105 3.349,1106 19.408,1107 5.204,1108 15.838,1109 1.534,1110 1.571,1111 1.565,1112 1.502,1113 1.497,1114 1.906,1115 0.24,1116 4.379,1117 1.446,1118 4.031,1119 4.05,1120 3.997,1121 3.93,1122 7.434,1123 3.942,1124 3.924,1125 3.949,1126 3.861,1127 3.865,1128 7.428,1129 3.859,1130 3.804,1131 3.856,1132 3.72,1133 3.631,1134 6.493,1135 3.646,1136 3.559,1137 3.582,1138 3.51,1139 3.417,1140 6.446,1141 3.432,1142 3.401,1143 3.441,1144 3.296,1145 3.271,1146 4.781,1147 3.267,1148 3.157,1149 3.206,1150 3.058,1151 2.941,1152 4.699,1153 2.922,1154 3.111,1155 3.182,1156 2.882,1157 2.885,1158 4.335,1159 2.91,1160 2.979,1161 3.032,1162 2.866,1163 2.764,1164 4.155,1165 2.787,1166 0.141,1167 0.115,1168 0.212,1169 0.13,1170 0.1,1171 4.651,1172 0.13,1173 3.811,1174 0.051,1175 6.993,1176 0.358,1177 4.278,1178 0.097,1179 3.308,1180 4.295,1181 1.674,1182 11.821,1183 3.204,1184 1.951,1185 1.94,1186 2.047,1187 2.083,1188 1.299,1189 2.067,1190 1.92,1191 1.894,1192 2.023,1193 2.004,1194 1.13,1195 2.013,1196 1.755,1197 1.699,1198 1.924,1199 1.943,1200 1.098,1201 1.942,1202 1.504,1203 1.476,1204 1.676,1205 1.674,1206 0.825,1207 1.666,1208 1.389,1209 1.345,1210 1.597,1211 1.554,1212 0.772,1213 1.57,1214 1.153,1215 1.064,1216 1.513,1217 1.376,1218 0.632,1219 1.429,1220 1.045,1221 1.011,1222 1.271,1223 1.358,1224 0.393,1225 1.329,1226 0.896,1227 0.852,1228 1.181,1229 1.173,1230 0.218,1231 1.152,1232 4.205,1233 5.541,1235 7.081,1237 8.718,1239 10.408,1241 1.742,1246 19.846,1247 1.884,1249 5.341,1252 3.612,1257 33.885,1258 80.664,1259 185.433,1260 225.262,1261 248.913,1262 263.668,1263 263.668,1264 68.372,1265 7.821,1266 94.22,1267 94.22,1268 24,1269 12.716,1270 4.087,1271 3.459,1272 47.334,1273 133,1274 142,1275 0.174,1276 206.117,1277 374.77,1278 494.684,1279 28520,1281 21.25,1282 0.708,1283 0.551,1284 21.25,1285 16.538,1286 14.436,1287 0.437,1288 0.294,1289 9.559,1290 13.848,1291 9.348,1292 7.702,1293 14.436,1294 9.702,1295 13.274,1296 0.282,1297 0.154,1298 13.274,1299 7.258,1300 11.147,1301 0.177,1302 0.084,1303 11.147,1304 5.318,1305 9.84,1306 0.117,1307 0.045,1308 9.84,1309 3.818,1310 7.293,1311 0.07,1312 0.024,1313 7.293,1314 2.48,1315 0.277,1316 90.889,1317 0.214,1318 28.633,1319 0.463,1320 160,1321 508.796,1322 177.783,1323 484.494,1324 652.21,1325 450,1326 190,1327 475.24,1328 207.955,1329 477.122,1330 701.29,1331 449,1332 5.804}
{0 CHEMBL604130,1 1.77,2 9.833,3 1.544,4 2.385,5 88.138,6 8.605,7 0.231,8 3.846,9 3.935,10 3.509,11 3.324,12 5.046,13 3.341,14 4.391,15 4.543,16 3.899,17 3.724,18 5.604,19 3.728,20 4.65,21 4.804,22 4.084,23 3.912,24 5.894,25 3.911,26 4.765,27 4.924,28 4.077,29 3.97,30 6.068,31 3.934,32 4.881,33 5.067,34 3.867,35 3.893,36 6.083,37 3.82,38 4.669,39 4.912,40 3.654,41 3.647,42 5.91,43 3.554,44 4.317,45 4.519,46 3.385,47 3.42,48 5.48,49 3.353,50 4.217,51 4.42,52 3.437,53 3.287,54 5.591,55 3.224,56 0.188,57 0.572,58 6.96,59 3.707,60 21.755,61 4.186,62 0.505,63 0.925,64 16.991,65 5.98,66 36.177,67 7.399,68 0.745,69 1.141,70 21.178,71 7.705,72 69.809,73 9.207,74 0.812,75 1.2,76 23.254,77 9.634,78 97.979,79 11.811,80 1.261,81 1.155,82 35.839,83 10.246,84 150.709,85 11.911,86 1.029,87 0.953,88 32.421,89 8.265,90 121.589,91 11.317,92 0.575,93 0.724,94 17.225,95 5.845,96 71.433,97 7.284,98 0.596,99 0.618,100 16.411,101 5.442,102 80.468,103 7.037,104 39,105 38,106 0.315,107 0.638,108 0.751,109 0.786,110 0.838,111 0.838,112 3.229,113 0.927,114 -2.43,115 -2.46,116 -2.41,119 39,120 1,125 5,135 1,137 1,138 2,139 1,140 3,151 2,163 2,165 2,166 3,171 4,172 4,175 3,176 6,181 1,183 2,187 5,190 2,191 1,192 3,194 2,197 1,198 3,201 1,203 1,208 2,209 4,212 2,214 1,221 1,224 1,230 2,231 4,234 1,238 1,242 2,249 2,252 784,253 15.801,254 15.801,255 15.801,256 15.801,257 15.801,258 14.475,259 22.866,260 8.932,261 16.223,262 12.701,263 12.701,264 12.701,265 12.701,266 12.701,267 10.521,268 30.204,269 4.099,270 13.418,271 3.588,272 1.777,273 1.14,274 0.945,275 0.653,276 0.653,277 3.903,278 1,281 1,282 1,283 1,284 497,285 2.915,288 192.346,292 104.237,295 1.5,296 41.697,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 54.333,308 236,309 4.651,310 3.812,311 6.993,312 4.278,313 3.308,314 4.295,315 2.115,316 11.821,317 3.204,318 4.139,319 3.745,320 6.384,321 3.817,322 2.868,323 3.591,324 1.674,325 9.655,326 2.719,327 3.93,328 3.173,329 6.01,330 3.665,331 2.705,332 3.094,333 0.8,334 8.484,335 2.582,336 3.508,337 2.943,338 5.295,339 3.148,340 2.189,341 2.783,342 0.707,343 6.454,344 2.09,345 3.399,346 2.509,347 5.16,348 3.078,349 2.145,350 2.606,351 0.176,352 6.191,353 1.982,354 3.124,355 2.327,356 4.92,357 2.78,358 1.818,359 2.218,361 5.314,362 1.73,363 2.997,364 2.243,365 4.659,366 2.588,367 1.628,368 2.036,370 4.467,371 1.544,372 2.52,373 1.982,374 4.121,375 2.29,376 1.361,377 1.476,379 3.446,380 1.233,381 2,382 1.868,383 3.414,384 1.967,385 1,386 1,388 2.275,389 0.965,390 1.553,391 1.146,392 3.336,393 1.216,394 0.319,395 0.351,397 0.699,398 0.246,399 1.461,400 0.989,401 3.055,402 0.93,403 0.119,404 0.143,406 0.202,407 0.08,408 1.178,409 0.538,410 2.675,411 0.873,412 -0.048,413 -0.056,415 -0.129,416 -0.045,417 1.032,418 0.228,419 2.519,420 0.672,421 -0.29,422 -0.369,424 -0.743,425 -0.274,426 0.703,427 0.032,428 2.256,429 0.332,430 -0.574,431 -0.66,433 -1.344,434 -0.506,435 0.513,436 -0.07,437 2.049,438 0.314,439 -0.694,440 -0.801,442 -1.63,443 -0.685,444 11.181,445 0.466,446 0.754,447 0.031,448 28.25,449 1.177,450 12,451 0.5,452 16.25,453 0.677,454 20.994,455 0.875,456 27.219,457 0.664,458 22.39,459 0.933,460 5.656,461 0.236,462 5.762,463 0.24,464 0.228,466 0.429,472 0.834,473 1.467,474 0.615,475 1.056,476 0.722,477 0.922,478 0.746,479 1.108,480 0.811,481 0.93,482 0.529,483 0.832,484 0.875,485 0.946,486 0.717,487 0.943,488 0.842,489 0.926,490 0.734,491 1.287,492 0.725,493 1.205,494 0.795,495 1.167,496 1.456,497 1,498 1.303,499 1.036,500 1.437,501 1.154,502 0.79,503 0.793,504 1.014,505 0.898,506 0.71,507 0.915,508 1.043,509 0.989,510 0.832,511 0.935,512 1.186,513 1.04,514 0.733,515 1.074,516 0.746,517 0.997,518 0.823,519 1.005,520 5.5,521 0.087,522 3.333,523 2.813,524 1.942,525 1.167,526 0.584,527 0.333,528 0.271,529 0.161,530 5642,531 21430,532 1.991,533 41.5,534 3,535 12,538 2,542 1.671,543 1.8,544 3.207,545 0.378,546 1,547 1,548 1,550 72.563,551 1.77,552 3.58,553 4.217,554 4.412,555 4.705,556 4.705,557 2.709,558 3.97,559 4.552,560 3.355,561 926.092,562 7.867,563 10447.4,564 1,565 1,567 1,568 219.66,569 1.555,570 4.478,571 0.212,572 0.009,573 0.088,574 0.065,575 0.047,576 0.039,577 0.023,578 0.017,579 0.014,580 0.012,581 0.525,582 0.5,583 1,584 1.073,585 112.42,586 -0.12,587 -0.233,588 0.001,589 -0.039,590 -0.087,591 0.005,592 0.007,593 0.068,594 -0.001,595 0.038,596 0.069,597 0.105,598 -0.018,599 0.187,600 0.002,601 -0.004,602 -0.036,603 -0.004,604 0.112,605 -0.259,606 0.003,607 -0.228,608 0.08,609 -0.19,610 -0.299,611 -0.105,612 -0.285,613 -0.075,614 -0.291,615 -0.196,616 0.117,617 0.103,618 0.043,619 0.051,620 0.147,621 0.109,622 -0.132,623 -0.02,624 -0.06,626 -0.181,627 -0.061,628 0.2,629 -0.15,630 0.157,631 -0.037,632 0.169,633 -0.002,634 2.206,635 5.374,636 0.667,637 19.611,638 1.03,639 1.129,640 1.198,641 1.435,642 0.664,643 3.296,644 3.664,645 3.97,646 4.263,647 4.466,648 4.625,649 4.691,650 4.836,651 4.796,652 4.82,653 5.559,654 0.65,655 352.8,656 3.296,657 4.86,658 5.733,659 6.64,660 7.529,661 8.443,662 9.338,663 10.256,664 11.155,665 12.075,666 4.9,669 1,673 1,681 2,686 4,688 6,700 2,703 41,705 9,706 1,707 26,709 43,710 16,711 6,712 4,713 2,714 3,715 1,717 3,718 4,719 1,721 2,729 10,730 6,733 3,737 2,741 4,743 1,744 1,747 17,748 7,749 2,750 8,751 1,755 2,760 0.667,761 5,776 3,780 1,784 1,786 1,788 1,789 1,792 1,796 2,801 1,802 1,805 24,809 2,810 5,812 1,815 2,824 1,825 12.2,827 2,828 2,830 1,832 13.333,833 7.61,834 5.278,835 2.359,836 1.775,837 1.248,838 0.917,839 4.827,840 8.93,841 3.497,842 4.069,843 4.598,844 5.122,845 5.571,846 5.927,847 6.107,848 6.491,849 6.605,850 6.68,851 0.857,852 43,853 8.944,854 3.953,855 8.185,856 16.415,857 13.558,859 2.685,860 64.444,864 176.567,865 65.317,866 6.249,867 39.149,868 146.656,871 65.317,872 362.372,873 6.249,874 8.825,875 14.397,876 18.952,877 150.309,878 25.739,880 215.715,882 176.567,883 71.566,884 146.656,885 39.149,887 176.567,888 146.656,891 26.346,892 42.463,893 41.905,895 176.567,896 152.905,897 104.466,900 176.567,901 37.54,902 34.026,904 185.805,905 176.567,906 152.905,907 104.466,909 0.594,910 0.363,911 0.198,912 0.099,913 19,914 10,915 0.023,916 1,917 1,918 1.125,919 3.416,920 201.181,921 0.125,922 16,923 106.039,928 17.233,929 6.723,930 3.179,932 152.905,933 2.5,938 0.198,940 85.367,941 433.938,942 32,946 24.008,950 0.27,952 42.233,953 46.309,954 0.33,955 0.668,956 0.787,957 0.824,958 0.878,959 0.878,960 4.783,961 1.361,962 5.759,963 4.467,964 4.344,965 4.754,966 2.796,967 6.635,968 4.241,969 6.002,970 1,971 7.367,972 3.446,973 4.111,974 4.745,975 1.738,976 7.673,977 3.985,978 7.336,979 0.319,980 9.073,981 2.275,982 6.004,983 6.905,984 3.828,985 10.805,986 5.819,987 8.7,988 0.119,989 10.836,990 0.699,991 6.538,992 7.661,993 3.405,994 12.651,995 6.331,996 10.096,997 -0.048,998 12.634,999 0.202,1000 7.959,1001 9.378,1002 5.057,1003 15.333,1004 7.705,1005 11.513,1006 -0.29,1007 14.457,1008 -0.129,1009 8.842,1010 10.486,1011 5.035,1012 17.526,1013 8.564,1014 12.949,1015 -0.574,1016 16.3,1017 -0.743,1018 10.092,1019 12.041,1020 6.372,1021 20.055,1022 9.777,1023 3.308,1024 -0.694,1025 18.158,1026 -1.344,1027 11.133,1028 13.32,1029 6.614,1030 22.398,1031 10.792,1032 2.868,1033 11.821,1034 20.029,1035 -1.63,1036 12.325,1037 14.811,1038 7.742,1039 24.876,1040 11.951,1041 2.705,1042 9.655,1043 21.909,1044 4.295,1045 13.439,1046 16.174,1047 8.161,1048 27.284,1049 13.037,1050 2.189,1051 8.484,1052 23.798,1053 3.591,1054 14.613,1055 17.64,1056 9.152,1057 29.748,1058 14.182,1059 2.145,1060 6.454,1061 25.695,1062 3.094,1063 15.761,1064 19.046,1065 9.688,1066 32.186,1067 15.302,1068 1.818,1069 6.191,1070 27.597,1071 2.783,1072 16.935,1073 20.502,1074 10.591,1075 34.647,1076 16.446,1077 1.628,1078 5.314,1079 29.504,1080 2.606,1081 18.101,1082 21.931,1083 11.204,1084 37.099,1085 17.583,1086 5644,1087 11072,1088 16.531,1089 27.233,1090 39.487,1091 42.034,1092 42.387,1093 38.885,1094 38.919,1095 47.188,1096 10.944,1097 118.015,1098 36.749,1099 5.651,1100 5.812,1101 6.537,1102 5.37,1103 5.308,1104 7.295,1105 3.789,1106 19.408,1107 5.204,1108 14.894,1109 1.519,1110 1.617,1111 1.63,1112 1.496,1113 1.497,1114 1.815,1115 0.421,1116 4.539,1117 1.413,1118 4.025,1119 4.042,1120 3.996,1121 3.923,1122 7.433,1123 3.937,1124 3.823,1125 3.872,1126 3.846,1127 3.639,1128 7.427,1129 3.654,1130 3.561,1131 3.583,1132 3.644,1133 3.407,1134 6.493,1135 3.422,1136 3.372,1137 3.412,1138 3.42,1139 3.204,1140 6.446,1141 3.195,1142 3.157,1143 3.206,1144 3.06,1145 2.941,1146 4.703,1147 2.92,1148 3.111,1149 3.178,1150 2.974,1151 2.881,1152 4.66,1153 2.91,1154 2.932,1155 2.966,1156 2.866,1157 2.685,1158 4.318,1159 2.693,1160 2.833,1161 2.903,1162 2.787,1163 2.592,1164 4.025,1165 2.616,1166 0.179,1167 0.147,1168 0.269,1169 0.165,1170 0.127,1171 4.651,1172 0.165,1173 3.812,1174 0.081,1175 6.993,1176 0.455,1177 4.278,1178 0.123,1179 3.308,1180 4.295,1181 2.115,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.029,1187 2.081,1188 1.301,1189 2.065,1190 1.76,1191 1.704,1192 1.927,1193 1.961,1194 1.129,1195 1.952,1196 1.492,1197 1.464,1198 1.673,1199 1.676,1200 0.825,1201 1.667,1202 1.316,1203 1.271,1204 1.513,1205 1.532,1206 0.781,1207 1.549,1208 1.153,1209 1.064,1210 1.512,1211 1.376,1212 0.715,1213 1.429,1214 1.036,1215 1.007,1216 1.256,1217 1.355,1218 0.38,1219 1.321,1220 0.845,1221 0.801,1222 1.083,1223 1.157,1224 0.171,1225 1.122,1226 0.731,1227 0.677,1228 1.03,1229 1.063,1230 0.088,1231 1.06,1232 3.97,1233 5.323,1235 6.884,1237 8.547,1239 10.262,1241 1.724,1242 5.567,1246 19.62,1247 1.805,1249 5.265,1252 3.488,1257 26.659,1258 72.563,1259 146.799,1260 172.905,1261 180.905,1262 192.905,1263 192.905,1264 60.916,1265 7.155,1266 94.22,1267 94.22,1268 18,1269 12.587,1270 3.322,1271 2.807,1272 39.245,1273 78,1274 92,1275 0.252,1276 166.406,1277 302.7,1278 397.791,1279 10766,1280 2.4,1281 17.43,1282 0.726,1283 0.577,1284 17.93,1285 13.838,1286 11.418,1287 0.439,1288 0.309,1289 7.4,1290 10.517,1291 7.187,1292 5.862,1293 11.771,1294 8.036,1295 10.601,1296 0.279,1297 0.157,1298 10.805,1299 5.97,1300 9.036,1301 0.174,1302 0.086,1303 9.358,1304 4.484,1305 7.963,1306 0.114,1307 0.047,1308 8.13,1309 3.263,1310 5.667,1311 0.066,1312 0.024,1313 5.784,1314 2.087,1315 0.385,1316 76.672,1317 0.246,1318 23.028,1319 0.719,1320 128,1321 461,1322 157.399,1323 457.49,1324 594.94,1325 424,1326 154,1327 400.671,1328 180.735,1329 403.887,1330 598.2,1331 378,1332 5.067}
{0 CHEMBL604330,1 1.591,2 14.639,3 3.932,4 15.461,5 132.826,6 7.993,7 0.45,8 4.237,9 4.331,10 3.854,11 3.752,12 5.431,13 3.765,14 4.747,15 4.886,16 4.241,17 4.137,18 5.952,19 4.137,20 5.03,21 5.196,22 4.357,23 4.295,24 6.174,25 4.282,26 5.111,27 5.282,28 4.366,29 4.294,30 6.367,31 4.277,32 5.169,33 5.345,34 4.272,35 4.291,36 6.398,37 4.257,38 5.109,39 5.32,40 4.202,41 4.273,42 6.299,43 4.204,44 5.063,45 5.274,46 4.049,47 4.206,48 6.128,49 4.12,50 5.001,51 5.238,52 3.964,53 4.056,54 6.167,55 3.964,56 0.149,57 0.857,58 11.155,59 5.497,60 17.738,61 6.285,62 0.464,63 1.398,64 20.965,65 8.82,66 32.516,67 10.785,68 0.701,69 1.743,70 30.83,71 11.706,72 57.916,73 14.226,74 0.904,75 1.814,76 34.692,77 12.686,78 101.924,79 15.507,80 1.277,81 1.849,82 39.249,83 13.086,84 141.69,85 15.157,86 0.92,87 1.821,88 36.833,89 13.222,90 119.896,91 17.371,92 0.746,93 1.723,94 35.156,95 12.743,96 88.547,97 16.412,98 0.978,99 1.583,100 35.31,101 11.779,102 112.782,103 16.109,104 26,105 57,106 0.254,107 0.57,108 0.692,109 0.79,110 0.853,111 0.861,112 3.615,113 0.865,114 -3.07,115 -3.07,116 -2.96,119 44.3,120 1,125 4,135 1,137 1,138 11,139 1,140 6,151 1,152 1,163 9,165 2,166 6,169 2,171 5,172 10,175 3,176 8,179 1,181 3,183 5,187 9,190 2,191 1,192 4,194 4,197 3,198 7,201 2,203 3,205 6,208 2,209 5,212 2,214 3,217 7,221 6,224 1,226 2,227 4,230 3,231 10,234 3,236 2,238 1,242 3,249 1,252 2316,253 24.292,254 24.292,255 24.292,256 24.292,257 24.292,258 21.464,259 31.353,260 14.227,261 24.826,262 19.744,263 19.744,264 19.744,265 19.744,266 19.744,267 15.487,268 43.919,269 6.766,270 20.64,271 4.34,272 2.357,273 1.593,274 0.982,275 0.582,276 0.537,277 4.32,283 1,284 1158,285 3.317,288 565.026,292 176.808,295 2.144,296 48.971,299 1,300 0.67,301 1,302 0.6,304 1,305 1,306 0.75,307 79.5,308 527,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.701,316 11.821,317 3.204,318 4.258,319 3.693,320 6.385,321 3.899,322 2.952,323 3.844,324 1.674,325 9.658,326 2.79,327 4.136,328 3.173,329 6.226,330 3.786,331 2.834,332 3.591,333 0.86,334 9.355,335 2.695,336 3.924,337 3.166,338 5.965,339 3.622,340 2.673,341 3.409,342 0.8,343 8.403,344 2.525,345 3.812,346 2.939,347 5.321,348 3.385,349 2.419,350 3.069,351 0.563,352 6.877,353 2.33,354 3.508,355 2.605,356 5.295,357 3.147,358 2.187,359 2.783,360 0.075,361 6.454,362 2.088,363 3.398,364 2.499,365 5.159,366 3.073,367 2.141,368 2.606,370 6.192,371 1.979,372 3.128,373 2.315,374 4.921,375 2.783,376 1.821,377 2.228,379 5.331,380 1.735,381 3.012,382 2.222,383 4.659,384 2.599,385 1.637,386 2.172,388 4.493,389 1.557,390 2.976,391 1.96,392 4.446,393 2.542,394 1.589,395 2.091,397 4.348,398 1.507,399 2.87,400 1.793,401 3.981,402 2.462,403 1.487,404 1.974,406 3.302,407 1.446,408 2.761,409 1.519,410 3.628,411 2.295,412 1.313,413 1.871,415 2.931,416 1.285,417 2.5,418 1.398,419 3.551,420 2.139,421 1.148,422 1.5,424 2.853,425 1.125,426 2.463,427 1.146,428 3.414,429 2,430 1,431 1.39,433 2.275,434 1,435 2,436 1,437 3.334,438 1.967,439 1,440 1,442 2.136,443 0.965,444 16.7,445 0.464,446 0.942,447 0.026,448 49,449 1.361,450 25,451 0.694,452 24,453 0.667,454 30.238,455 0.84,456 38.5,457 0.631,458 42.132,459 1.17,460 9.985,461 0.277,462 7.417,463 0.206,464 0.11,466 0.377,472 0.867,473 1.278,474 0.739,475 1.043,476 0.737,477 0.891,478 0.717,479 1.101,480 0.776,481 1.005,482 0.504,483 0.91,484 1.029,485 1.035,486 0.949,487 1.01,488 0.863,489 0.962,490 1.059,491 1.166,492 0.993,493 1.113,494 0.987,495 1.044,496 1.52,497 0.928,498 1.275,499 0.911,500 1.672,501 1.019,502 0.812,503 1.025,504 0.981,505 1.003,506 0.85,507 1.023,508 1.005,509 1.113,510 1.14,511 1.1,512 1.052,513 1.143,514 0.754,515 0.986,516 0.964,517 0.967,518 0.809,519 1.009,520 7,521 0.206,522 4,523 3.25,524 2.716,525 1.465,526 0.766,527 0.552,528 0.389,529 0.267,530 21344,531 62066,532 2.103,533 41,534 3,535 19,538 3,542 1.771,543 1.964,544 3.78,545 0.801,550 97.032,551 1.591,552 3.574,553 4.338,554 4.949,555 5.349,556 5.394,557 3.218,558 4.705,559 5.143,560 3.976,561 2505.01,562 9.021,563 40647.8,568 361.775,569 1.426,570 5.099,571 0.175,572 0.006,573 0.07,574 0.052,575 0.045,576 0.027,577 0.015,578 0.013,579 0.01,580 0.008,581 0.422,582 0.33,583 0.75,584 0.539,585 198.149,586 -0.099,587 -0.137,588 0.029,589 -0.02,590 -0.098,591 0.024,592 0.095,593 0.027,594 0.072,595 -0.024,596 0.101,597 0.013,598 -0.046,599 0.024,600 -0.018,601 -0.041,602 -0.057,603 -0.025,604 0.023,605 -0.155,606 -0.023,607 -0.144,608 0.059,609 -0.098,610 -0.205,611 0.056,612 -0.251,613 0.038,614 -0.256,615 -0.095,616 0.069,617 -0.035,618 0.008,619 -0.025,620 0.107,621 -0.023,622 -0.11,623 -0.137,624 -0.15,625 -0.119,626 -0.127,627 -0.142,628 0.166,629 -0.03,630 0.081,631 -0.004,632 0.141,633 0.009,634 2.227,635 6.004,636 0.778,637 40.685,638 1.016,639 1.12,640 1.844,641 3.402,642 0.674,643 3.714,644 4.06,645 4.357,646 4.654,647 4.883,648 4.984,649 5.075,650 5.236,651 5.278,652 5.375,653 8.384,654 0.658,655 487.55,656 3.714,657 5.273,658 6.138,659 7.031,660 7.909,661 8.809,662 9.694,663 10.597,664 11.485,665 12.392,666 4.9,669 1,673 2,681 11,686 7,688 18,700 2,701 1,703 61,705 21,706 3,707 40,709 65,710 27,711 18,712 7,713 11,714 3,717 5,718 6,720 1,721 1,729 22,730 5,733 3,737 2,741 4,747 25,748 9,749 3,750 9,755 3,760 0.8,761 6,776 5,780 1,786 1,788 1,789 1,792 1,796 4,801 1,805 36,809 2,810 4,811 1,812 2,815 2,825 9.8,827 2,828 2,830 2,832 18.333,833 11.133,834 7.806,835 3.544,836 3.85,837 1.451,838 0.968,839 6.87,840 12.386,841 3.97,842 4.559,843 5.098,844 5.646,845 6.135,846 6.338,847 6.578,848 6.969,849 7.148,850 7.302,851 0.9,852 62,853 13.397,854 5.894,855 7.94,856 24.96,857 20.622,859 2.44,860 87.833,864 258.964,865 160.569,866 24.259,868 157.656,871 160.569,872 416.621,873 24.259,874 8.825,875 29.558,876 104.239,877 145.605,878 49.982,879 4.276,880 258.964,882 258.964,883 184.828,884 157.656,887 258.964,888 157.656,891 41.507,892 140.564,893 2.757,895 258.964,896 181.916,897 160.569,900 258.964,901 47.505,902 119.313,903 18.011,904 157.656,905 258.964,906 181.916,907 160.569,909 0.587,910 0.349,911 0.197,912 0.105,913 28,914 13,915 0.062,916 4,917 1,918 1.071,919 4.621,920 351.505,921 0.071,922 28,923 178.117,928 24.187,929 10.226,930 5.073,932 181.916,933 19.061,938 1.89,940 103.377,941 601.449,942 52,946 25.746,950 0.067,952 61.989,953 68.319,954 0.268,955 0.603,956 0.731,957 0.834,958 0.902,959 0.909,960 5.228,961 1.821,962 6.133,963 6.192,964 4.745,965 5.247,966 2.673,967 6.971,968 4.655,969 6.436,970 1.637,971 7.708,972 5.331,973 4.369,974 5.047,975 1.404,976 7.917,977 4.222,978 7.748,979 1.589,980 9.384,981 4.493,982 6.361,983 7.393,984 3.387,985 11.054,986 6.181,987 9.092,988 1.487,989 11.12,990 4.348,991 6.792,992 7.978,993 2.498,994 12.844,995 6.559,996 10.468,997 1.313,998 12.896,999 3.302,1000 8.267,1001 9.827,1002 4.314,1003 15.511,1004 8.005,1005 11.866,1006 1.148,1007 14.699,1008 2.931,1009 9.08,1010 10.799,1011 3.613,1012 17.665,1013 8.773,1014 13.284,1015 1,1016 16.524,1017 2.853,1018 10.351,1019 12.43,1020 5.31,1021 20.177,1022 10.014,1023 3.308,1024 1,1025 18.365,1026 2.275,1027 11.347,1028 13.608,1029 4.718,1030 22.494,1031 10.972,1032 2.952,1033 11.821,1034 20.219,1035 2.136,1036 12.539,1037 15.136,1038 6.332,1039 24.957,1040 12.135,1041 2.834,1042 9.658,1043 22.085,1044 4.295,1045 13.623,1046 16.428,1047 5.808,1048 27.349,1049 13.185,1050 2.673,1051 9.355,1052 23.96,1053 3.844,1054 14.79,1055 17.905,1056 7.364,1057 29.801,1058 14.324,1059 2.419,1060 8.403,1061 25.842,1062 3.591,1063 15.918,1064 19.262,1065 6.887,1066 32.228,1067 15.421,1068 2.187,1069 6.877,1070 27.732,1071 3.409,1072 17.081,1073 20.716,1074 8.402,1075 34.682,1076 16.556,1077 2.141,1078 6.454,1079 29.627,1080 3.069,1081 18.231,1082 22.11,1083 7.96,1084 37.127,1085 17.677,1086 19855,1087 34061,1088 26.759,1089 41.119,1090 60.728,1091 62.296,1092 62.263,1093 60.016,1094 59.897,1095 76.698,1096 11.348,1097 175.148,1098 57.288,1099 5.651,1100 5.811,1101 6.795,1102 5.372,1103 5.308,1104 7.295,1105 3.376,1106 19.408,1107 5.204,1108 18.047,1109 1.518,1110 1.557,1111 1.557,1112 1.5,1113 1.497,1114 1.917,1115 0.284,1116 4.379,1117 1.432,1118 4.036,1119 4.057,1120 4,1121 3.931,1122 7.434,1123 3.944,1124 3.951,1125 3.968,1126 3.903,1127 3.861,1128 7.428,1129 3.866,1130 3.837,1131 3.877,1132 3.764,1133 3.761,1134 6.493,1135 3.755,1136 3.785,1137 3.831,1138 3.701,1139 3.617,1140 6.446,1141 3.632,1142 3.531,1143 3.557,1144 3.481,1145 3.374,1146 4.939,1147 3.389,1148 3.28,1149 3.334,1150 3.195,1151 3.015,1152 4.7,1153 3.054,1154 3.156,1155 3.206,1156 3.057,1157 2.941,1158 4.686,1159 2.919,1160 3.111,1161 3.175,1162 2.921,1163 2.879,1164 4.329,1165 2.91,1166 0.116,1167 0.095,1168 0.175,1169 0.107,1170 0.083,1171 4.651,1172 0.107,1173 3.811,1174 0.043,1175 6.993,1176 0.296,1177 4.278,1178 0.08,1179 3.308,1180 4.295,1181 1.701,1182 11.821,1183 3.204,1184 1.95,1185 1.94,1186 2.032,1187 2.084,1188 1.298,1189 2.067,1190 1.913,1191 1.892,1192 2.017,1193 2.027,1194 1.128,1195 2.021,1196 1.831,1197 1.801,1198 1.958,1199 1.958,1200 1.078,1201 1.955,1202 1.744,1203 1.686,1204 1.917,1205 1.904,1206 1.017,1207 1.916,1208 1.473,1209 1.44,1210 1.67,1211 1.656,1212 0.825,1213 1.65,1214 1.168,1215 1.113,1216 1.513,1217 1.469,1218 0.77,1219 1.445,1220 1.153,1221 1.064,1222 1.351,1223 1.376,1224 0.435,1225 1.429,1226 1.029,1227 1.003,1228 1.233,1229 1.351,1230 0.261,1231 1.309,1232 4.394,1233 5.733,1235 7.274,1237 8.911,1239 10.598,1241 1.73,1246 20.01,1247 1.578,1248 2.921,1249 11.308,1252 3.52,1257 40.148,1258 97.032,1259 218.004,1260 264.602,1261 301.901,1262 326.265,1263 329.02,1264 79.708,1265 8.537,1266 115.48,1267 115.48,1268 30,1269 12.913,1270 4.459,1271 3.7,1272 54.725,1273 186,1274 174,1275 0.144,1276 242.028,1277 435.22,1278 582.309,1279 75016,1281 25.233,1282 0.701,1283 0.544,1284 25.233,1285 19.601,1286 17.402,1287 0.435,1288 0.288,1289 11.339,1290 16.635,1291 11.124,1292 9.162,1293 17.402,1294 11.527,1295 15.973,1296 0.28,1297 0.149,1298 15.973,1299 8.517,1300 13.494,1301 0.175,1302 0.08,1303 13.494,1304 6.175,1305 12.056,1306 0.116,1307 0.043,1308 12.056,1309 4.432,1310 9.257,1311 0.071,1312 0.022,1313 9.257,1314 2.924,1315 0.231,1316 109.912,1317 0.193,1318 33.236,1319 0.38,1320 194,1321 624.865,1322 218.21,1323 592.274,1324 805.63,1325 552,1326 231,1327 598.766,1328 255.494,1329 597.256,1330 880.32,1331 563,1332 5.222}
{0 CHEMBL605581,1 1.595,2 8.364,3 1.843,4 3.395,5 81.342,6 7.559,7 0.24,8 3.833,9 3.931,10 3.429,11 3.288,12 4.882,13 3.307,14 4.431,15 4.6,16 3.83,17 3.699,18 5.495,19 3.712,20 4.586,21 4.757,22 3.873,23 3.891,24 5.584,25 3.852,26 4.729,27 4.934,28 3.817,29 3.906,30 5.708,31 3.831,32 4.753,33 4.978,34 3.697,35 3.753,36 5.791,37 3.694,38 4.513,39 4.713,40 3.518,41 3.577,42 5.596,43 3.514,44 4.339,45 4.571,46 3.265,47 3.418,48 5.304,49 3.31,50 4.204,51 4.44,52 2.909,53 3.163,54 5.118,55 3.057,56 0.066,57 0.58,58 8.303,59 3.706,60 3.889,61 4.62,62 0.531,63 0.956,64 18.207,65 5.742,66 28.473,67 7.616,68 0.397,69 1.132,70 20.431,71 7.87,72 16.39,73 10.306,74 0.424,75 1.195,76 25.033,77 9.395,78 28.473,79 12.755,80 0.728,81 1.095,82 28.26,83 8.524,84 61.557,85 11.489,86 0.704,87 0.885,88 21.636,89 6.771,90 52.112,91 8.94,92 0.396,93 0.778,94 17.729,95 6.008,96 29.112,97 8.544,98 0.427,99 0.617,100 16.552,101 4.836,102 37.167,103 6.559,104 10,105 37,106 0.286,107 0.582,108 0.749,109 0.803,110 0.812,111 0.812,112 3.149,113 0.893,114 -3.03,115 -3.03,116 -2.92,119 40,120 1,124 1,125 4,126 1,135 1,137 1,138 2,139 1,140 3,151 1,163 3,165 2,166 5,172 3,175 3,176 8,183 3,186 1,187 7,194 1,197 1,198 5,208 4,209 3,220 2,221 1,231 1,241 1,252 536,253 14.878,254 14.878,255 14.878,256 14.878,257 14.878,258 13.788,259 23.11,260 8.495,261 15.335,262 12.327,263 12.327,264 12.327,265 12.327,266 12.327,267 10.477,268 31.677,269 4.035,270 13.045,271 3.726,272 2.069,273 1.138,274 0.838,275 0.788,276 0.788,277 3.844,281 1,282 1,283 1,284 412,285 2.121,287 43.459,288 136.523,291 68.557,292 69.36,295 1.397,296 23.421,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 1,306 0.93,307 49,308 184,309 4.623,310 3.804,311 6.911,312 4.25,313 3.281,314 4.256,315 1.674,316 11.534,317 3.175,318 4.23,319 3.332,320 6.33,321 3.862,322 2.915,323 3.712,324 1.392,325 9.649,326 2.756,327 3.716,328 2.997,329 5.953,330 3.48,331 2.546,332 2.991,333 0.8,334 8.277,335 2.373,336 3.436,337 2.858,338 5.21,339 3.231,340 2.285,341 2.559,342 0.8,343 6.326,344 2.156,345 3.368,346 2.599,347 5.184,348 3.006,349 2.059,350 2.454,351 0.532,352 6.154,353 1.923,354 2.956,355 2.21,356 4.81,357 2.693,358 1.75,359 2.017,361 5.118,362 1.637,363 2.744,364 1.942,365 4.446,366 2.385,367 1.445,368 1.749,370 4.192,371 1.35,372 2.207,373 1.754,374 3.547,375 2.1,376 1.106,377 1.187,379 2.461,380 1.097,381 2,382 1.202,383 3.467,384 1.967,385 1,386 1,388 2.275,389 0.965,390 1.855,391 1.146,392 3.414,393 1.505,394 0.561,395 0.676,397 1.553,398 0.521,399 1.307,400 0.689,401 3.221,402 1.176,403 0.214,404 0.224,406 0.538,407 0.204,408 1.074,409 0.552,410 2.684,411 0.721,412 -0.227,413 -0.263,415 -0.591,416 -0.211,417 0.72,418 -0.089,419 2.593,420 0.533,421 -0.445,422 -0.505,424 -1.057,425 -0.43,426 0.59,427 -0.269,428 2.305,429 0.271,430 -0.713,431 -0.886,433 -2.018,434 -0.696,435 0.432,436 -0.435,437 2,438 0.039,439 -0.954,440 -1,442 -2.56,443 -0.9,444 10.133,445 0.461,446 0.627,447 0.028,448 26.25,449 1.193,450 10.5,451 0.477,452 15.75,453 0.716,454 18.373,455 0.835,456 24.667,457 0.617,458 18.361,459 0.835,460 5.293,461 0.241,462 5.339,463 0.243,464 0.132,466 0.424,472 0.822,473 1.582,474 0.72,475 1.304,476 0.595,477 1.038,478 1.024,479 0.867,480 0.81,481 0.706,482 0.553,483 0.677,484 0.789,485 1.014,486 0.948,487 1.074,488 0.652,489 1.044,490 0.709,491 1.189,492 0.911,493 1.227,494 0.791,495 1.137,496 1.261,497 0.909,498 1.021,499 0.903,500 1.836,501 0.908,502 1.204,503 0.913,504 1.132,505 0.936,506 1.607,507 1.018,508 0.658,509 1.146,510 0.983,511 1.183,512 0.673,513 1.164,514 1.422,515 0.907,516 1.267,517 0.939,518 1.663,519 1.05,520 4.5,521 0.05,522 2.889,523 2.007,524 1.857,525 0.757,526 0.665,527 0.224,528 0.128,529 0.055,530 4812,531 12407,532 2.148,533 45,534 3,535 13,536 2,542 1.648,543 2,544 3.046,545 -0.717,546 1,547 1,548 1,550 63.818,551 1.595,552 3.253,553 4.184,554 4.484,555 4.534,556 4.534,557 2.556,558 3.971,559 4.431,560 3.158,561 729.514,562 7.629,563 7582.81,564 1,565 1,567 1,568 212.877,569 1.437,570 4.388,571 0.18,572 0.013,573 0.078,574 0.053,575 0.055,576 0.026,577 0.028,578 0.012,579 0.011,580 0.007,581 0.462,582 0.67,583 1,584 0.595,585 98.651,586 -0.04,587 -0.37,588 0.095,589 -0.199,590 -0.026,591 -0.052,592 0.017,593 0.265,594 0.134,595 0.26,596 0.142,597 0.247,598 0.001,599 0.104,600 -0.064,601 -0.044,602 0.029,603 -0.062,604 0.066,605 -0.202,606 0.013,607 -0.2,608 0.065,609 -0.12,610 -0.106,611 -0.008,612 0.01,613 0.039,614 -0.18,615 0.051,616 -0.003,617 0.028,618 -0.12,619 0.021,620 -0.098,621 -0.072,622 0.138,623 -0.188,624 -0.025,625 -0.204,626 0.143,627 -0.163,628 -0.267,629 -0.022,630 -0.229,631 -0.013,632 -0.313,633 -0.097,634 1.951,635 5.441,636 0.864,637 14.975,638 1.015,639 1.129,640 1.796,641 3.227,642 0.648,643 3.258,644 3.638,645 3.97,646 4.29,647 4.543,648 4.691,649 4.868,650 5.011,651 5.063,652 5.075,653 4.918,654 0.628,655 302.36,656 3.258,657 4.828,658 5.714,659 6.624,660 7.526,661 8.441,662 9.349,663 10.267,664 11.179,665 12.098,666 5,669 2,681 2,686 4,688 6,701 2,703 40,705 8,706 1,707 25,709 43,710 16,711 6,712 4,713 2,714 3,717 4,718 7,721 1,729 9,730 7,733 2,737 1,741 3,743 1,744 1,747 18,748 6,750 6,755 2,760 0.5,761 4,775 1,776 3,779 1,780 1,786 1,788 1,789 1,792 2,796 2,801 2,805 22,810 5,812 3,815 2,825 10,828 1,830 3,832 11,833 7.983,834 4.667,835 2.421,836 1.746,837 1.236,838 0.992,839 3.364,840 9.142,841 3.434,842 4.016,843 4.588,844 5.147,845 5.67,846 6.034,847 6.401,848 6.743,849 6.931,850 6.952,851 0.833,852 38,853 8.176,854 3.568,855 7.712,856 15.729,857 13.251,859 2.212,860 48.667,864 211.88,865 83.297,866 6.249,868 58.145,871 83.297,872 270.024,873 6.249,874 17.222,875 15.073,876 18.952,877 35.093,878 61.35,879 23.542,880 188.338,882 211.88,883 89.545,884 58.145,887 211.88,888 58.145,891 30.147,892 56.642,893 2.757,895 211.88,896 64.393,897 83.297,900 211.88,901 47.123,902 42.423,904 58.145,905 211.88,906 64.393,907 83.297,909 0.598,910 0.36,911 0.2,912 0.108,913 21,914 9,915 0.023,916 1,917 2,918 1.211,919 3.373,920 187.902,921 0.211,922 19,923 94.107,928 14.061,929 5.264,930 2.331,932 64.393,933 3.634,938 2.776,941 359.57,942 30,946 12.441,950 1.321,952 40.582,953 45.156,954 0.3,955 0.611,956 0.786,957 0.843,958 0.852,959 0.852,960 4.732,961 1.106,962 5.727,963 4.192,964 4.317,965 4.7,966 2.562,967 6.597,968 4.212,969 5.936,970 1,971 7.323,972 2.461,973 4.007,974 4.635,975 0.57,976 7.591,977 3.857,978 7.264,979 0.561,980 9.018,981 2.275,982 5.969,983 6.854,984 3.231,985 10.734,986 5.769,987 8.627,988 0.214,989 10.77,990 1.553,991 6.463,992 7.598,993 0.479,994 12.549,995 6.228,996 10.023,997 -0.227,998 12.559,999 0.538,1000 7.915,1001 9.344,1002 4.097,1003 15.222,1004 7.639,1005 11.444,1006 -0.445,1007 14.374,1008 -0.591,1009 8.775,1010 10.447,1011 0.346,1012 17.382,1013 8.469,1014 12.882,1015 -0.713,1016 16.209,1017 -1.057,1018 10.037,1019 12.013,1020 5.031,1021 19.895,1022 9.696,1023 3.281,1024 -0.954,1025 18.058,1026 -2.018,1027 11.065,1028 13.284,1029 0.237,1030 22.206,1031 10.696,1032 2.915,1033 11.534,1034 19.919,1035 -2.56,1036 12.259,1037 14.776,1038 5.997,1039 24.663,1040 11.857,1041 2.546,1042 9.649,1043 21.789,1044 4.256,1045 13.363,1046 16.129,1047 0.158,1048 27.041,1049 12.933,1050 2.285,1051 8.277,1052 23.668,1053 3.712,1054 14.535,1055 17.588,1056 6.983,1057 29.481,1058 14.075,1059 2.059,1060 6.326,1061 25.553,1062 2.991,1063 15.675,1064 18.982,1065 0.104,1066 31.89,1067 15.187,1068 1.75,1069 6.154,1070 27.444,1071 2.559,1072 16.844,1073 20.429,1074 7.982,1075 34.326,1076 16.326,1077 1.445,1078 5.118,1079 29.34,1080 2.454,1081 18.001,1082 21.844,1083 0.068,1084 36.75,1085 17.454,1086 4533,1087 7438,1088 16.819,1089 25.921,1090 38.482,1091 39.955,1092 39.868,1093 38.367,1094 38.325,1095 45.649,1096 10.395,1097 116.153,1098 36.313,1099 5.623,1100 5.804,1101 6.411,1102 5.348,1103 5.281,1104 7.256,1105 3.349,1106 19.098,1107 5.175,1108 9.645,1109 1.539,1110 1.598,1111 1.595,1112 1.535,1113 1.533,1114 1.826,1115 0.416,1116 4.646,1117 1.453,1118 4.041,1119 4.053,1120 4.009,1121 3.935,1122 7.433,1123 3.95,1124 3.82,1125 3.878,1126 3.729,1127 3.63,1128 5.021,1129 3.646,1130 3.589,1131 3.611,1132 3.516,1133 3.403,1134 4.606,1135 3.421,1136 3.205,1137 3.283,1138 3.077,1139 2.941,1140 4.376,1141 2.966,1142 3.157,1143 3.218,1144 3.037,1145 2.941,1146 4.107,1147 2.923,1148 3.111,1149 3.206,1150 2.886,1151 2.912,1152 3.942,1153 2.91,1154 3.072,1155 3.1,1156 2.866,1157 2.806,1158 3.831,1159 2.824,1160 2.815,1161 2.876,1162 2.66,1163 2.654,1164 3.731,1165 2.643,1166 0.185,1167 0.152,1168 0.276,1169 0.17,1170 0.131,1171 4.623,1172 0.17,1173 3.804,1174 0.067,1175 6.911,1176 0.461,1177 4.25,1178 0.127,1179 3.281,1180 4.256,1181 1.674,1182 11.534,1183 3.175,1184 1.945,1185 1.934,1186 2.033,1187 2.075,1188 1.307,1189 2.062,1190 1.752,1191 1.688,1192 1.935,1193 1.948,1194 1.141,1195 1.946,1196 1.462,1197 1.428,1198 1.657,1199 1.632,1200 0.825,1201 1.635,1202 1.167,1203 1.132,1204 1.538,1205 1.52,1206 0.782,1207 1.488,1208 1.153,1209 1.064,1210 1.513,1211 1.435,1212 0.635,1213 1.473,1214 1.146,1215 1.045,1216 1.437,1217 1.376,1218 0.578,1219 1.429,1220 1.001,1221 0.965,1222 1.217,1223 1.327,1224 0.318,1225 1.287,1226 0.759,1227 0.687,1228 1.058,1229 0.977,1230 0.148,1231 1.008,1232 3.932,1233 5.293,1234 2.398,1235 6.858,1236 4.595,1237 8.52,1238 6.581,1239 10.236,1241 4.058,1247 3.757,1249 16.306,1252 4.373,1257 25.116,1258 63.818,1259 130.122,1260 167.367,1261 179.367,1262 181.367,1263 181.367,1264 29.684,1265 7.396,1266 55.15,1267 55.15,1268 23,1269 12.609,1270 3.17,1271 2.585,1272 29.801,1273 66,1274 70,1275 0.234,1276 149.611,1277 268.98,1278 356.811,1279 14884,1281 15.267,1282 0.694,1283 0.578,1284 15.267,1285 12.718,1286 10.631,1287 0.425,1288 0.298,1289 7.265,1290 9.987,1291 7.061,1292 5.801,1293 10.631,1294 7.438,1295 10.016,1296 0.271,1297 0.158,1298 10.016,1299 5.855,1300 8.821,1301 0.17,1302 0.086,1303 8.821,1304 4.45,1305 7.758,1306 0.108,1307 0.043,1308 7.758,1309 3.126,1310 6.179,1311 0.066,1312 0.023,1313 6.179,1314 2.171,1315 0.352,1316 68.268,1317 0.244,1318 21.166,1319 0.688,1320 124,1321 400.232,1322 142.002,1323 366.507,1324 504.44,1325 346,1326 151,1327 375.396,1328 170.227,1329 373.851,1330 559.17,1331 349,1332 6.377}
{0 CHEMBL606421,1 1.564,2 13.781,3 3.566,4 12.716,5 120.776,6 7.416,7 0.343,8 4.181,9 4.291,10 3.73,11 3.675,12 5.322,13 3.67,14 4.721,15 4.891,16 4.129,17 4.083,18 5.855,19 4.059,20 5.004,21 5.187,22 4.254,23 4.282,24 6.096,25 4.238,26 5.141,27 5.342,28 4.265,29 4.297,30 6.341,31 4.236,32 5.183,33 5.398,34 4.072,35 4.203,36 6.32,37 4.129,38 5.003,39 5.247,40 3.947,41 4.061,42 6.146,43 3.968,44 4.843,45 5.07,46 3.774,47 3.962,48 5.871,49 3.865,50 4.822,51 5.075,52 3.774,53 3.835,54 6.001,55 3.741,56 0.099,57 0.842,58 12.345,59 5.417,60 15.581,61 6.888,62 0.42,63 1.37,64 23.386,65 8.847,66 35.874,67 12.009,68 0.496,69 1.722,70 32.044,71 11.78,72 47.023,73 15.808,74 0.714,75 1.838,76 38.318,77 13.426,78 96.269,79 18.393,80 1.042,81 1.756,82 43.015,83 13.071,84 132.332,85 17.289,86 0.827,87 1.527,88 35.747,89 11.296,90 115.407,91 16.162,92 0.514,93 1.357,94 29.295,95 9.658,96 69.265,97 13.53,98 0.72,99 1.26,100 30.06,101 9.287,102 96.584,103 13.647,104 51,105 51,106 0.254,107 0.601,108 0.737,109 0.785,110 0.818,111 0.818,112 3.502,113 0.912,114 -3.42,115 -3.4,116 -3.25,119 40.7,120 3,122 1,125 4,135 1,137 1,138 6,139 2,140 4,151 1,152 1,163 9,165 2,166 3,169 2,171 6,172 13,175 3,176 4,181 3,183 10,187 9,190 2,191 1,192 4,194 6,197 1,198 7,201 2,203 2,208 2,209 5,212 2,214 3,221 5,224 1,226 1,230 2,231 10,234 3,236 2,242 1,249 2,252 1714,253 21.016,254 21.016,255 21.016,256 21.016,257 21.016,258 18.991,259 31.503,260 11.967,261 21.439,262 17.208,263 17.208,264 17.208,265 17.208,266 17.208,267 14.006,268 41.308,269 5.63,270 17.894,271 4.318,272 2.184,273 1.352,274 1.055,275 0.852,276 0.852,277 4.192,282 1,283 1,284 949,285 3.536,288 407.142,292 159.416,295 2.135,296 43.533,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 70.5,308 441,309 4.651,310 3.811,311 6.993,312 4.278,313 3.308,314 4.295,315 1.701,316 11.821,317 3.204,318 4.152,319 3.687,320 6.384,321 3.847,322 2.893,323 3.694,324 1.674,325 9.656,326 2.789,327 4.124,328 3.173,329 6.053,330 3.776,331 2.797,332 3.591,333 0.8,334 8.698,335 2.713,336 3.935,337 2.994,338 5.924,339 3.67,340 2.701,341 3.146,342 0.563,343 8.196,344 2.597,345 3.558,346 2.94,347 5.297,348 3.282,349 2.316,350 2.8,351 0.075,352 6.751,353 2.234,354 3.506,355 2.523,356 5.293,357 3.142,358 2.182,359 2.772,361 6.454,362 2.084,363 3.389,364 2.449,365 5.149,366 3.053,367 2.12,368 2.603,370 6.168,371 1.962,372 3.113,373 2.309,374 4.915,375 2.76,376 1.792,377 2.21,379 5.292,380 1.718,381 2.988,382 2.211,383 4.659,384 2.584,385 1.624,386 2.024,388 4.465,389 1.542,390 2.527,391 1.957,392 4.097,393 2.317,394 1.345,395 1.509,397 3.459,398 1.302,399 2.5,400 1.314,401 3.745,402 2.125,403 1.131,404 1.5,406 2.796,407 1.114,408 2.405,409 1.146,410 3.414,411 2,412 1,413 1.343,415 2.275,416 1,417 2,418 1,419 3.414,420 1.967,421 1,422 1,424 2.275,425 0.965,426 1.543,427 0.99,428 3.335,429 1.202,430 0.233,431 0.268,433 0.648,434 0.222,435 1.251,436 0.567,437 3.056,438 0.921,439 -0.037,440 -0.044,442 -0.099,443 -0.035,444 14.867,445 0.465,446 1.018,447 0.032,448 39.5,449 1.234,450 18.5,451 0.578,452 21,453 0.656,454 29.846,455 0.933,456 35.533,457 0.602,458 33.035,459 1.032,460 7.705,461 0.241,462 7.535,463 0.235,464 0.191,466 0.424,472 0.852,473 1.369,474 0.808,475 1.12,476 0.737,477 0.978,478 0.623,479 1.05,480 0.746,481 0.941,482 0.458,483 0.868,484 0.889,485 1.09,486 0.953,487 1.071,488 0.808,489 1.023,490 0.83,491 1.217,492 0.956,493 1.197,494 0.867,495 1.112,496 1.554,497 0.958,498 1.249,499 0.959,500 1.606,501 1.037,502 0.854,503 0.964,504 0.928,505 0.924,506 0.836,507 0.937,508 1.02,509 1.109,510 1.129,511 1.086,512 1.087,513 1.117,514 0.686,515 1.028,516 0.831,517 0.958,518 0.773,519 0.93,520 7.5,521 0.177,522 4.222,523 3.313,524 2.524,525 1.521,526 0.664,527 0.507,528 0.402,529 0.301,530 14853,531 39892,532 2.026,533 45.8,534 10,535 14,538 3,542 1.74,543 1.846,544 3.675,545 0.853,547 1,550 92.29,551 1.564,552 3.699,553 4.531,554 4.827,555 5.031,556 5.031,557 3.233,558 4.539,559 4.968,560 3.893,561 1930.75,562 8.665,563 28638.9,565 1,568 347.076,569 1.538,570 4.903,571 0.214,572 0.006,573 0.083,574 0.059,575 0.048,576 0.036,577 0.017,578 0.016,579 0.013,580 0.011,581 0.504,582 0.5,583 1,584 0.792,585 169.894,586 -0.089,587 -0.15,588 0.029,589 -0.015,590 -0.091,591 0.021,592 0.147,593 0.109,594 0.15,595 0.087,596 0.131,597 0.116,598 -0.022,599 0.01,600 -0.03,601 -0.056,602 -0.046,603 -0.044,604 0.119,605 -0.201,606 0.005,607 -0.199,608 0.094,609 -0.128,610 -0.224,611 -0.016,612 -0.205,613 -0.018,614 -0.244,615 -0.1,616 0.111,617 -0.009,618 0.077,619 0.03,620 0.14,621 0.043,622 -0.108,623 -0.1,624 -0.157,625 -0.116,626 -0.143,627 -0.141,628 0.254,629 -0.084,630 0.183,631 -0.017,632 0.213,633 0.051,634 2.205,635 5.674,636 0.688,637 35.605,638 1.009,639 1.128,640 2.188,641 4.787,642 0.651,643 3.584,644 3.951,645 4.234,646 4.511,647 4.727,648 4.868,649 4.934,650 5.088,651 5.106,652 5.193,653 7.869,654 0.626,655 437.54,656 3.584,657 5.153,658 6.019,659 6.917,660 7.796,661 8.699,662 9.584,663 10.49,664 11.379,665 12.289,666 5.1,669 1,673 2,681 6,686 6,688 12,700 2,703 59,705 15,706 2,707 35,709 62,710 24,711 12,712 6,713 6,714 3,717 4,718 5,720 1,721 3,729 16,730 8,731 1,733 3,737 2,741 4,744 1,747 27,748 8,749 3,750 8,755 3,760 0.75,761 5,776 4,780 1,786 1,788 1,789 1,792 1,796 3,801 3,805 32,809 2,810 4,811 1,812 1,814 1,815 2,825 8.5,827 2,828 2,830 1,832 17.333,833 11.383,834 6.889,835 3.593,836 2.592,837 1.323,838 0.939,839 6.354,840 10.615,841 3.807,842 4.394,843 4.924,844 5.455,845 5.927,846 6.197,847 6.376,848 6.701,849 6.786,850 6.9,851 1,852 56,853 11.935,854 5.221,855 7.938,856 22.396,857 18.589,859 2.438,860 78,863 1,864 282.506,865 123.537,866 24.259,868 146.656,871 123.537,872 429.163,873 24.259,874 26.476,875 29.558,876 56.857,877 145.605,878 31.681,879 4.276,880 282.506,882 282.506,883 147.796,884 146.656,887 282.506,888 146.656,891 59.158,892 85.882,893 2.757,895 282.506,896 170.916,897 123.537,900 282.506,901 40.204,902 89.582,903 18.011,904 146.656,905 282.506,906 170.916,907 123.537,909 0.598,910 0.353,911 0.189,912 0.098,913 25,914 13,915 0.048,916 3,917 1,918 1.091,919 4.219,920 294.379,921 0.091,922 22,923 150,928 22.491,929 9.04,930 4.596,932 170.916,933 10.345,938 2.152,940 103.377,941 576.959,942 44,946 25.317,950 0.222,952 59.545,953 66.524,954 0.266,955 0.629,956 0.77,957 0.821,958 0.855,959 0.855,960 5.088,961 1.792,962 6.038,963 6.168,964 4.635,965 5.081,966 2.566,967 6.889,968 4.559,969 6.305,970 1.624,971 7.63,972 5.292,973 4.369,974 4.997,975 1.404,976 7.872,977 4.256,978 7.628,979 1.345,980 9.319,981 4.465,982 6.275,983 7.228,984 3.35,985 10.984,986 6.126,987 8.981,988 1.131,989 11.063,990 3.459,991 6.77,992 7.897,993 2.498,994 12.781,995 6.59,996 10.364,997 1,998 12.843,999 2.796,1000 8.197,1001 9.671,1002 4.303,1003 15.444,1004 7.984,1005 11.767,1006 1,1007 14.649,1008 2.275,1009 9.041,1010 10.698,1011 3.613,1012 17.603,1013 8.798,1014 13.188,1015 0.233,1016 16.474,1017 2.275,1018 10.289,1019 12.285,1020 5.307,1021 20.117,1022 10.014,1023 3.308,1024 -0.037,1025 18.315,1026 0.648,1027 11.299,1028 13.501,1029 4.718,1030 22.442,1031 10.994,1032 2.893,1033 11.821,1034 20.169,1035 -0.099,1036 12.481,1037 15.005,1038 6.331,1039 24.91,1040 12.146,1041 2.797,1042 9.656,1043 22.035,1044 4.295,1045 13.572,1046 16.322,1047 5.808,1048 27.308,1049 13.206,1050 2.701,1051 8.698,1052 23.91,1053 3.694,1054 14.736,1055 17.789,1056 7.364,1057 29.766,1058 14.339,1059 2.316,1060 8.196,1061 25.793,1062 3.591,1063 15.867,1064 19.164,1065 6.887,1066 32.199,1067 15.439,1068 2.182,1069 6.751,1070 27.683,1071 3.146,1072 17.03,1073 20.616,1074 8.402,1075 34.657,1076 16.571,1077 2.12,1078 6.454,1079 29.58,1080 2.8,1081 18.183,1082 22.022,1083 7.96,1084 37.107,1085 17.692,1086 14235,1087 23594,1088 22.6,1089 38.426,1090 53.581,1091 55.397,1092 56.027,1093 52.964,1094 52.881,1095 65.506,1096 9.628,1097 157.906,1098 50.892,1099 5.651,1100 5.811,1101 6.407,1102 5.37,1103 5.308,1104 7.295,1105 3.376,1106 19.408,1107 5.204,1108 20.14,1109 1.531,1110 1.583,1111 1.601,1112 1.513,1113 1.511,1114 1.872,1115 0.275,1116 4.512,1117 1.454,1118 4.034,1119 4.057,1120 3.998,1121 3.932,1122 7.434,1123 3.944,1124 3.949,1125 3.975,1126 3.889,1127 3.878,1128 7.428,1129 3.876,1130 3.803,1131 3.857,1132 3.717,1133 3.62,1134 6.493,1135 3.636,1136 3.562,1137 3.613,1138 3.497,1139 3.403,1140 6.446,1141 3.411,1142 3.491,1143 3.535,1144 3.351,1145 3.353,1146 4.757,1147 3.346,1148 3.238,1149 3.294,1150 3.136,1151 2.967,1152 4.697,1153 3.004,1154 3.155,1155 3.206,1156 3.056,1157 2.941,1158 4.328,1159 2.917,1160 3.111,1161 3.172,1162 2.866,1163 2.873,1164 4.166,1165 2.91,1166 0.133,1167 0.109,1168 0.2,1169 0.122,1170 0.095,1171 4.651,1172 0.123,1173 3.811,1174 0.049,1175 6.993,1176 0.338,1177 4.278,1178 0.092,1179 3.308,1180 4.295,1181 1.701,1182 11.821,1183 3.204,1184 1.951,1185 1.94,1186 2.071,1187 2.085,1188 1.298,1189 2.07,1190 1.938,1191 1.91,1192 2.027,1193 2.034,1194 1.251,1195 2.041,1196 1.75,1197 1.691,1198 1.923,1199 1.949,1200 1.127,1201 1.944,1202 1.541,1203 1.481,1204 1.795,1205 1.73,1206 0.91,1207 1.752,1208 1.466,1209 1.426,1210 1.67,1211 1.643,1212 0.825,1213 1.646,1214 1.153,1215 1.073,1216 1.513,1217 1.435,1218 0.77,1219 1.429,1220 1.13,1221 1.064,1222 1.417,1223 1.376,1224 0.469,1225 1.415,1226 1.021,1227 0.997,1228 1.328,1229 1.347,1230 0.431,1231 1.308,1232 4.263,1233 5.617,1235 7.166,1237 8.809,1239 10.501,1241 5.984,1246 19.907,1247 1.786,1248 2.924,1249 5.358,1251 0.427,1252 3.578,1257 36.96,1258 92.29,1259 218.243,1260 267.302,1261 284.811,1262 296.811,1263 296.811,1264 77.513,1265 8.023,1266 106.25,1267 106.25,1268 24,1269 12.808,1270 4,1271 3.322,1272 52.25,1273 153,1274 156,1275 0.168,1276 225.431,1277 405.71,1278 541.811,1279 36465,1281 22.991,1282 0.718,1283 0.574,1284 22.991,1285 18.383,1286 15.24,1287 0.435,1288 0.304,1289 10.485,1290 14.592,1291 10.163,1292 8.434,1293 15.24,1294 10.645,1295 14.453,1296 0.283,1297 0.164,1298 14.453,1299 8.382,1300 11.931,1301 0.175,1302 0.087,1303 11.931,1304 5.904,1305 10.439,1306 0.116,1307 0.046,1308 10.439,1309 4.117,1310 7.671,1311 0.068,1312 0.024,1313 7.671,1314 2.658,1315 0.27,1316 96.125,1317 0.21,1318 30.212,1319 0.445,1320 172,1321 527.129,1322 192.003,1323 502.095,1324 678.8,1325 466,1326 205,1327 500.493,1328 224.953,1329 502.517,1330 739.93,1331 472,1332 5.879}
{0 CHEMBL607137,1 1.729,2 11.483,3 2.691,4 7.242,5 107.382,6 8.5,7 0.375,8 4.027,9 4.102,10 3.831,11 3.577,12 5.179,13 3.563,14 4.571,15 4.702,16 4.189,17 3.983,18 5.918,19 3.961,20 4.849,21 4.993,22 4.324,23 4.19,24 6.06,25 4.141,26 5.005,27 5.157,28 4.307,29 4.183,30 6.37,31 4.148,32 5.032,33 5.198,34 4.058,35 4.091,36 6.31,37 4.045,38 4.899,39 5.129,40 3.899,41 3.988,42 6.076,43 3.873,44 4.741,45 4.977,46 3.807,47 3.835,48 5.757,49 3.709,50 4.56,51 4.774,52 3.76,53 3.638,54 5.988,55 3.554,56 0.19,57 0.716,58 11.106,59 4.962,60 28.78,61 5.134,62 0.573,63 1.183,64 18.308,65 7.923,66 57.068,67 8.906,68 0.637,69 1.517,70 31.454,71 11.86,72 63.609,73 12.531,74 1.056,75 1.611,76 37.36,77 12.907,78 145.808,79 13.959,80 1.338,81 1.533,82 35.051,83 11.791,84 173.198,85 12.498,86 0.959,87 1.417,88 32.485,89 11.44,90 128.018,91 14.802,92 0.722,93 1.224,94 30.411,95 10.059,96 95.616,97 12.534,98 0.869,99 0.992,100 27.038,101 8.559,102 126.524,103 10.357,104 37,105 48,106 0.29,107 0.614,108 0.713,109 0.801,110 0.824,111 0.824,112 3.408,113 0.987,114 -2.48,115 -2.5,116 -2.45,119 40.8,120 1,125 4,135 1,137 1,138 7,139 1,140 4,151 1,163 6,165 4,166 3,171 4,172 8,175 3,176 10,181 1,183 4,187 11,190 2,191 1,192 3,194 2,197 2,198 6,201 1,203 1,208 2,209 5,212 2,214 1,221 4,224 1,230 4,231 7,234 1,238 2,242 4,249 6,252 1237,253 19.048,254 19.048,255 19.048,256 19.048,257 19.048,258 16.862,259 23.476,260 10.83,261 19.526,262 15.744,263 15.744,264 15.744,265 15.744,266 15.744,267 12.344,268 32.493,269 5.075,270 16.55,271 3.885,272 1.961,273 1.371,274 0.847,275 0.709,276 0.709,277 4.097,282 1,283 1,284 722,285 3.317,288 345.758,292 134.881,295 1.707,296 53.512,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 1,306 0.9,307 65,308 333,309 4.93,310 4.725,311 7.666,312 4.434,313 3.511,314 4.756,315 1.674,316 13.61,317 3.223,318 4.651,319 3.809,320 6.993,321 4.274,322 3.305,323 4.295,324 0.8,325 11.82,326 3.19,327 4.132,328 3.173,329 6.382,330 3.769,331 2.813,332 3.591,333 0.4,334 9.644,335 2.685,336 3.62,337 2.966,338 5.589,339 3.261,340 2.307,341 3.092,343 6.73,344 2.196,345 3.509,346 2.575,347 5.295,348 3.138,349 2.178,350 2.785,352 6.454,353 2.082,354 3.413,355 2.408,356 5.154,357 3.049,358 2.101,359 2.613,361 6.11,362 1.978,363 3.177,364 2.281,365 4.919,366 2.804,367 1.843,368 2.278,370 5.287,371 1.755,372 3.029,373 2.031,374 4.659,375 2.6,376 1.637,377 2.1,379 4.478,380 1.557,381 2.758,382 1.83,383 4.334,384 2.44,385 1.499,386 1.825,388 4.04,389 1.401,390 2.543,391 1.18,392 3.567,393 2.071,394 1.086,395 1.5,397 2.625,398 1.068,399 2.5,400 1.146,401 3.414,402 2,403 1,404 1.489,406 2.275,407 1,408 2,409 1,410 3.343,411 1.967,412 1,413 1,415 2.136,416 0.965,417 1.545,418 0.96,419 3.247,420 1.196,421 0.224,422 0.261,424 0.63,425 0.214,426 1.179,427 0.513,428 3.057,429 0.906,430 -0.044,431 -0.051,433 -0.118,434 -0.041,435 1.032,436 0.228,437 2.823,438 0.677,439 -0.283,440 -0.355,442 -0.735,443 -0.268,444 13.633,445 0.47,446 0.972,447 0.034,448 38.5,449 1.328,450 19.5,451 0.672,452 19,453 0.655,454 24.17,455 0.833,456 31.967,457 0.652,458 32.334,459 1.115,460 7.556,461 0.261,462 6.23,463 0.215,464 0.159,465 0.061,466 0.352,472 0.725,473 1.358,474 0.789,475 1.217,476 0.741,477 0.923,478 0.651,479 1.038,480 0.738,481 0.866,482 0.507,483 0.83,484 0.898,485 1.113,486 1.233,487 1.242,488 0.793,489 1.014,490 1.095,491 1.201,492 1.206,493 1.25,494 1.198,495 1.108,496 1.628,497 0.971,498 1.195,499 0.886,500 1.633,501 1.126,502 0.695,503 0.956,504 0.811,505 0.875,506 0.647,507 1.038,508 0.806,509 0.96,510 0.887,511 0.949,512 0.865,513 1.013,514 0.662,515 0.903,516 0.953,517 0.967,518 0.681,519 0.873,520 7,521 0.19,522 4.444,523 3.75,524 2.231,525 1.333,526 0.704,527 0.507,528 0.378,529 0.291,530 10454,531 34168,532 2.041,533 40.8,534 3,535 15,538 2,542 1.719,543 1.861,544 3.426,545 0.296,546 1,547 1,550 84.734,551 1.729,552 3.653,553 4.244,554 4.768,555 4.905,556 4.905,557 2.932,558 4.349,559 4.83,560 3.598,561 1460.77,562 8.407,563 19217.8,565 1,567 1,568 275.121,569 1.694,570 4.757,571 0.219,572 0.008,573 0.093,574 0.069,575 0.043,576 0.033,577 0.021,578 0.019,579 0.013,580 0.012,581 0.53,582 0.5,583 1,584 0.638,585 146.193,586 -0.025,587 -0.182,588 0.175,589 -0.064,590 -0.134,591 0.031,592 0.14,593 0.106,594 0.131,595 0.115,596 0.174,597 0.093,598 -0.054,599 0.002,600 -0.103,601 -0.098,602 -0.014,603 -0.035,604 -0.026,605 -0.197,606 -0.154,607 -0.211,608 -0.032,609 -0.148,610 -0.34,611 -0.044,612 -0.335,613 -0.036,614 -0.334,615 -0.224,616 0.115,617 -0.032,618 0.072,619 0.008,620 0.112,621 -0.017,622 -0.006,623 -0.016,624 0.121,625 0.013,626 -0.08,627 0.027,628 0.315,629 0.044,630 0.18,631 0.063,632 0.311,633 0.156,634 4.513,635 5.786,636 0.759,637 26.264,638 1.024,639 1.121,640 1.246,641 1.553,642 0.678,643 3.497,644 3.892,645 4.205,646 4.489,647 4.691,648 4.82,649 4.92,650 5.075,651 5.094,652 5.204,653 6.55,654 0.658,655 416.49,656 3.497,657 5.081,658 5.964,659 6.88,660 7.777,661 8.698,662 9.599,663 10.522,664 11.426,665 12.35,666 4.1,669 2,681 7,686 5,688 12,700 2,703 49,705 16,706 2,707 32,709 52,710 20,711 12,712 5,713 7,714 3,717 4,718 5,721 1,729 15,730 5,733 4,736 1,737 3,741 3,744 1,747 20,748 8,749 2,750 9,751 1,755 2,760 0.75,761 6,776 4,780 1,786 1,788 1,789 1,792 1,796 3,799 1,801 1,805 29,808 1,809 2,810 4,812 1,815 2,825 12.2,827 2,828 3,830 1,832 15.583,833 8.967,834 6.167,835 2.813,836 2.538,837 1.327,838 0.961,839 5.127,840 10.311,841 3.761,842 4.407,843 4.942,844 5.461,845 5.911,846 6.164,847 6.383,848 6.666,849 6.811,850 6.988,851 0.875,852 54,853 11.071,854 5.209,855 8.147,856 20.063,857 17.115,859 2.647,860 76.75,863 1,864 211.88,865 112.503,866 4.643,868 165.824,870 5.807,871 106.695,872 377.704,873 4.643,874 8.825,875 8.423,876 72.141,877 164.773,878 28.808,880 211.88,882 211.88,883 111.338,884 165.824,885 5.807,887 211.88,888 165.824,891 21.891,892 86.69,893 8.564,895 211.88,896 170.467,897 112.503,899 5.807,900 211.88,901 31.536,902 79.802,904 165.824,905 211.88,906 170.467,907 112.503,909 0.602,910 0.365,911 0.2,912 0.101,913 25,914 12,915 0.058,916 3,917 1,918 1.091,919 3.874,920 268.243,921 0.091,922 22,923 130.881,927 1,928 19.919,929 7.464,930 3.533,932 170.467,933 10.688,938 0.285,940 85.367,941 494.85,942 42,945 -3.597,946 38.144,950 0.211,952 50.196,953 54.91,954 0.308,955 0.651,956 0.756,957 0.849,958 0.874,959 0.874,960 5.05,961 1.637,962 6.014,963 5.287,964 4.575,965 5.094,966 2.065,967 6.936,968 4.474,969 6.307,970 1.499,971 7.656,972 4.478,973 4.443,974 5.239,975 0.325,976 8.235,977 4.257,978 7.68,979 1.086,980 9.414,981 4.04,982 6.315,983 7.408,984 2.847,985 11.352,986 6.098,987 9.093,988 1,989 11.243,990 2.625,991 6.986,992 8.361,993 0.268,994 13.479,995 6.677,996 10.545,997 1,998 13.119,999 2.275,1000 8.415,1001 10.102,1002 3.814,1003 16.204,1004 8.067,1005 12.024,1006 0.224,1007 15.028,1008 2.136,1009 9.422,1010 11.39,1011 0.188,1012 18.625,1013 8.987,1014 13.525,1015 -0.044,1016 16.961,1017 0.63,1018 10.708,1019 12.992,1020 4.826,1021 21.244,1022 10.222,1023 3.511,1024 -0.283,1025 18.913,1026 -0.118,1027 11.852,1028 14.422,1029 0.125,1030 23.769,1031 11.284,1032 3.305,1033 13.61,1034 20.879,1035 -0.735,1036 13.095,1037 15.978,1038 5.851,1039 26.361,1040 12.466,1041 2.813,1042 11.82,1043 22.857,1044 4.756,1045 14.292,1046 17.468,1047 0.082,1048 28.926,1049 13.585,1050 2.307,1051 9.644,1052 24.843,1053 4.295,1054 15.524,1055 19.01,1056 6.88,1057 31.515,1058 14.751,1059 2.178,1060 6.73,1061 26.836,1062 3.591,1063 16.744,1064 20.528,1065 0.054,1066 34.097,1067 15.895,1068 2.101,1069 6.454,1070 28.835,1071 3.092,1072 17.976,1073 22.068,1074 7.91,1075 36.689,1076 17.056,1077 1.843,1078 6.11,1079 30.839,1080 2.785,1081 19.205,1082 23.599,1083 0.035,1084 39.281,1085 18.21,1086 9982,1087 18204,1088 20.69,1089 33.239,1090 49.485,1091 51.157,1092 51.238,1093 49.144,1094 49.008,1095 63.17,1096 5.749,1097 151.678,1098 46.629,1099 5.93,1100 6.725,1101 7.468,1102 5.527,1103 5.511,1104 7.756,1105 3.349,1106 21.572,1107 5.223,1108 16.699,1109 1.546,1110 1.599,1111 1.601,1112 1.536,1113 1.531,1114 1.974,1115 0.18,1116 4.74,1117 1.457,1118 4.106,1119 4.1,1120 4.742,1121 4.076,1122 7.715,1123 3.995,1124 3.996,1125 3.992,1126 3.986,1127 3.914,1128 7.433,1129 3.917,1130 3.769,1131 3.819,1132 3.694,1133 3.637,1134 6.999,1135 3.63,1136 3.583,1137 3.585,1138 3.621,1139 3.478,1140 6.493,1141 3.45,1142 3.403,1143 3.412,1144 3.362,1145 3.269,1146 6.446,1147 3.235,1148 3.157,1149 3.206,1150 3.057,1151 2.941,1152 4.723,1153 2.92,1154 3.111,1155 3.176,1156 2.866,1157 2.881,1158 4.694,1159 2.91,1160 2.931,1161 2.962,1162 2.788,1163 2.735,1164 4.312,1165 2.715,1166 0.154,1167 0.148,1168 0.24,1169 0.139,1170 0.11,1171 4.93,1172 0.149,1173 4.725,1174 0.052,1175 7.666,1176 0.425,1177 4.434,1178 0.101,1179 3.511,1180 4.756,1181 1.674,1182 13.61,1183 3.223,1184 1.978,1185 1.98,1186 2.029,1187 2.095,1188 1.337,1189 2.109,1190 1.938,1191 1.934,1192 1.994,1193 2.025,1194 1.159,1195 2.031,1196 1.736,1197 1.686,1198 1.906,1199 1.905,1200 1.09,1201 1.912,1202 1.491,1203 1.48,1204 1.668,1205 1.653,1206 0.825,1207 1.66,1208 1.295,1209 1.297,1210 1.513,1211 1.465,1212 0.773,1213 1.514,1214 1.153,1215 1.064,1216 1.277,1217 1.376,1218 0.576,1219 1.429,1220 1.032,1221 1.006,1222 1.181,1223 1.349,1224 0.313,1225 1.311,1226 0.886,1227 0.821,1228 1.137,1229 1.156,1230 0.218,1231 1.117,1232 4.174,1233 5.549,1235 7.133,1237 8.813,1239 10.541,1241 1.693,1246 19.809,1247 1.051,1249 5.303,1252 3.163,1257 32.26,1258 84.734,1259 179.009,1260 207.96,1261 233.611,1262 240.366,1263 240.366,1264 77.716,1265 7.773,1266 111.29,1267 119.67,1268 24,1269 12.859,1270 4.087,1271 3.459,1272 44.816,1273 115,1274 112,1275 0.194,1276 198.321,1277 355.45,1278 475.664,1279 24962,1281 20.759,1282 0.716,1283 0.57,1284 21.009,1285 16.516,1286 13.786,1287 0.431,1288 0.329,1289 9.054,1290 12.379,1291 8.746,1292 7.174,1293 14.574,1294 10.524,1295 13.309,1296 0.277,1297 0.184,1298 14.628,1299 8.843,1300 11.252,1301 0.17,1302 0.107,1303 12.593,1304 7.041,1305 9.959,1306 0.113,1307 0.059,1308 11.055,1309 5.167,1310 7.253,1311 0.067,1312 0.032,1313 8.146,1314 3.494,1315 0.303,1316 95.277,1317 0.22,1318 27.297,1319 0.538,1320 160,1321 541.392,1322 219.764,1323 531.625,1324 712.83,1325 488,1326 194,1327 493.82,1328 261.805,1329 530.845,1330 784.55,1331 498,1332 5.219}
{0 CHEMBL611508,1 1.394,2 12.607,3 4.624,4 21.385,5 112.201,6 6.409,7 0.194,8 4.17,9 4.296,10 3.62,11 3.669,12 5.085,13 3.626,14 4.795,15 4.998,16 3.999,17 4.096,18 5.67,19 4.03,20 5.097,21 5.324,22 4.1,23 4.305,24 5.916,25 4.201,26 5.19,27 5.441,28 4.032,29 4.318,30 6.015,31 4.179,32 5.179,33 5.443,34 3.915,35 4.214,36 6.047,37 4.08,38 4.993,39 5.244,40 3.81,41 4.066,42 5.902,43 3.936,44 4.821,45 5.066,46 3.651,47 3.95,48 5.638,49 3.82,50 4.699,51 4.92,52 3.531,53 3.86,54 5.575,55 3.728,56 0.042,57 0.841,58 14.69,59 6.026,60 7.396,61 8.419,62 0.321,63 1.409,64 28.254,65 9.858,66 28.414,67 14.398,68 0.468,69 1.768,70 38.244,71 13.747,72 32.389,73 19.614,74 0.432,75 1.837,76 41.678,77 15.216,78 40.687,79 21.833,80 0.513,81 1.708,82 41.89,83 13.966,84 58.057,85 20.081,86 0.592,87 1.446,88 34.868,89 11.819,90 58.681,91 16.943,92 0.38,93 1.253,94 29.075,95 10.227,96 33.657,97 14.558,98 0.279,99 1.132,100 25.637,101 9.239,102 31.272,103 12.997,104 18,105 44,106 0.229,107 0.499,108 0.74,109 0.816,110 0.816,111 0.816,112 3.375,113 1.038,114 -4.72,115 -4.64,116 -4.36,119 38.3,120 2,121 5,122 1,124 1,125 4,127 1,135 1,137 1,138 3,139 1,140 2,151 1,163 10,165 1,166 7,172 12,175 3,176 8,183 10,186 1,187 8,194 8,198 6,205 6,208 3,209 7,217 6,220 1,221 3,227 7,231 5,238 8,242 5,249 5,252 1182,253 18.972,254 18.972,255 18.972,256 18.972,257 18.972,258 17.882,259 22.979,260 10.975,261 19.407,262 15.216,263 15.216,264 15.216,265 15.216,266 15.216,267 13.452,268 31.976,269 5.15,270 15.925,271 4.513,272 2.867,273 1.404,274 0.938,275 0.938,276 0.938,277 4.072,282 1,283 1,284 767,285 2.646,288 325.47,292 123.581,295 2.107,296 23.228,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 60,308 353,309 4.598,310 3.802,311 6.902,312 4.229,313 3.261,314 4.189,315 1.674,316 11.49,317 3.157,318 4.076,319 3.128,320 6.195,321 3.739,322 2.791,323 3.54,324 0.86,325 9.119,326 2.649,327 3.703,328 2.998,329 5.605,330 3.614,331 2.646,332 2.862,333 0.8,334 7.705,335 2.572,336 3.514,337 2.895,338 5.334,339 3.359,340 2.414,341 2.579,342 0.8,343 6.838,344 2.266,345 3.432,346 2.618,347 5.196,348 3.221,349 2.27,350 2.517,352 6.337,353 2.148,354 3.307,355 2.472,356 5.149,357 3.006,358 2.043,359 2.4,361 6.079,362 1.956,363 3.056,364 2.188,365 4.895,366 2.886,367 1.941,368 2.083,370 5.592,371 1.812,372 2.864,373 2.046,374 4.772,375 2.615,376 1.67,377 1.891,379 4.959,380 1.566,381 2.598,382 1.393,383 3.91,384 2.112,385 1.115,386 1.579,388 2.849,389 1.107,390 2,391 1.146,392 3.414,393 2,394 1,395 1,397 2.275,398 1,399 2,400 1,401 3.414,402 1.967,403 1,404 1,406 2.275,407 0.965,408 1.641,409 0.855,410 3.279,411 1.579,412 0.598,413 0.61,415 1.083,416 0.584,417 1.473,418 0.71,419 3.031,420 1.234,421 0.265,422 0.288,424 0.634,425 0.253,426 1.186,427 0.543,428 2.801,429 0.982,430 0.038,431 0.042,433 0.085,434 0.036,435 1.106,436 0.286,437 2.619,438 0.804,439 -0.147,440 -0.176,442 -0.366,443 -0.138,444 13.3,445 0.475,446 0.712,447 0.025,448 28.25,449 1.009,450 10,451 0.357,452 18.25,453 0.652,454 30.838,455 1.101,456 32.3,457 0.538,458 19.732,459 0.705,460 4.889,461 0.175,462 8.657,463 0.309,464 0.138,466 0.361,472 0.785,473 1.512,474 0.91,475 1.308,476 0.6,477 1.15,478 0.956,479 1.093,480 0.931,481 1.002,482 0.496,483 0.951,484 1.036,485 0.989,486 1.001,487 1.025,488 0.693,489 1.009,490 0.885,491 1.099,492 0.958,493 1.112,494 0.806,495 1.057,496 1.432,497 0.917,498 1.016,499 0.913,500 1.807,501 0.915,502 1.204,503 0.95,504 1.009,505 0.962,506 1.426,507 0.968,508 1.281,509 0.938,510 1.061,511 0.965,512 1.004,513 0.987,514 1.41,515 1.165,516 1.226,517 1.177,518 1.656,519 1.187,520 6,521 0.153,522 3.111,523 2.25,524 2.053,525 0.972,526 0.724,527 0.41,528 0.324,529 0.188,530 10241,531 19042,532 2.094,533 53.3,534 13,535 15,540 4,542 1.707,543 1.953,544 3.571,545 -0.813,550 83.617,551 1.394,552 3.04,553 4.503,554 4.969,555 4.969,556 4.969,557 3.128,558 4.138,559 4.771,560 3.722,561 1406.98,562 8.283,563 18462.7,565 1,568 354.413,569 1.432,570 4.736,571 0.194,572 0.009,573 0.071,574 0.048,575 0.049,576 0.026,577 0.022,578 0.014,579 0.013,580 0.009,581 0.454,582 0.33,583 1,584 0.744,585 141.272,586 0.025,587 -0.227,588 0.085,589 -0.1,590 0.006,591 -0.016,592 0.069,593 0.07,594 0.086,595 0.048,596 0.175,597 0.074,598 0.034,599 0.075,600 0.004,601 0.002,602 0.056,603 -0.001,604 0.076,605 -0.113,606 0.02,607 -0.097,608 0.088,609 -0.052,610 -0.121,611 0.016,612 0.004,613 0.043,614 -0.14,615 0.04,616 0.094,617 0.008,618 0.011,619 0.011,620 0.027,621 -0.002,622 -0.078,623 0.046,624 -0.051,625 0.032,626 -0.073,627 -0.003,628 -0.172,629 -0.153,630 -0.212,631 -0.145,632 -0.212,633 -0.182,634 1.907,635 5.742,636 0.786,637 30.515,638 0.991,639 1.131,640 3.492,641 12.191,642 0.63,643 3.466,644 3.807,645 4.094,646 4.369,647 4.635,648 4.727,649 4.86,650 5.017,651 5.112,652 5.204,653 6.946,654 0.585,655 384.57,656 3.466,657 5.017,658 5.878,659 6.765,660 7.642,661 8.535,662 9.42,663 10.317,664 11.207,665 12.108,666 3.3,669 2,681 3,686 3,688 6,701 1,703 60,705 8,706 1,707 31,709 63,710 23,711 6,712 3,713 3,714 3,717 4,718 5,721 2,724 5,725 1,727 6,729 9,730 14,731 1,733 2,737 1,741 3,744 1,747 32,748 5,750 5,755 2,760 0.75,761 3,776 4,780 1,786 1,788 1,789 1,792 2,796 3,801 3,805 28,810 9,812 2,814 2,815 2,825 5,828 1,830 2,832 14.333,833 11.567,834 6.139,835 4.15,836 1.665,837 1.215,838 0.96,839 5.978,840 9.415,841 3.611,842 4.119,843 4.618,844 5.126,845 5.622,846 5.935,847 6.26,848 6.648,849 6.882,850 6.983,851 0.889,852 47,853 10.475,854 4.468,855 7.506,856 20.832,857 17.773,859 2.006,860 56.167,862 1,863 1,864 376.675,865 102.377,866 6.249,868 47.145,871 102.377,872 423.82,873 6.249,874 26.047,875 21.095,876 28.429,877 35.093,878 45.106,880 376.675,882 376.675,883 108.626,884 47.145,887 329.591,888 94.229,891 44.995,892 60.874,893 2.757,895 376.675,896 53.393,897 102.377,900 376.675,901 47.902,902 60.724,904 47.145,905 376.675,906 53.393,907 102.377,909 0.586,910 0.348,911 0.186,912 0.104,913 22,914 10,915 0.063,916 4,917 1,918 1.091,919 3.972,920 246.299,921 0.091,922 22,923 126.606,928 19.782,929 8.462,930 4.259,932 53.393,933 5.957,938 2.429,941 532.446,942 36,946 12.742,950 1.48,952 59.44,953 67.853,954 0.236,955 0.515,956 0.762,957 0.841,958 0.841,959 0.841,960 4.894,961 1.67,962 5.872,963 5.592,964 4.489,965 4.804,966 2.303,967 6.696,968 4.402,969 6.062,970 1.115,971 7.44,972 4.959,973 4.111,974 4.62,975 0.57,976 7.618,977 3.976,978 7.362,979 1,980 9.105,981 2.849,982 6.098,983 6.85,984 2.93,985 10.728,986 5.928,987 8.69,988 1,989 10.827,990 2.275,991 6.509,992 7.489,993 0.479,994 12.488,995 6.301,996 10.055,997 0.598,998 12.587,999 2.275,1000 7.98,1001 9.248,1002 3.838,1003 15.146,1004 7.74,1005 11.444,1006 0.265,1007 14.375,1008 1.083,1009 8.768,1010 10.28,1011 0.346,1012 17.283,1013 8.496,1014 12.855,1015 0.038,1016 16.185,1017 0.634,1018 10.036,1019 11.853,1020 4.832,1021 19.792,1022 9.733,1023 3.261,1024 -0.147,1025 18.014,1026 0.085,1027 11.015,1028 13.08,1029 0.237,1030 22.098,1031 10.683,1032 2.791,1033 11.49,1034 19.858,1035 -0.366,1036 12.205,1037 14.571,1038 5.852,1039 24.556,1040 11.843,1041 2.646,1042 9.119,1043 21.715,1044 4.189,1045 13.279,1046 15.895,1047 0.158,1048 26.935,1049 12.888,1050 2.414,1051 7.705,1052 23.584,1053 3.54,1054 14.444,1055 17.35,1056 6.88,1057 29.377,1058 14.024,1059 2.27,1060 6.838,1061 25.461,1062 2.862,1063 15.565,1064 18.723,1065 0.104,1066 31.789,1067 15.116,1068 2.043,1069 6.337,1070 27.347,1071 2.579,1072 16.726,1073 20.162,1074 7.91,1075 34.227,1076 16.248,1077 1.941,1078 6.079,1079 29.24,1080 2.517,1081 17.872,1082 21.561,1083 0.068,1084 36.653,1085 17.364,1086 9746,1087 13520,1088 20.69,1089 37.796,1090 46.379,1091 47.529,1092 48.388,1093 46.174,1094 46.103,1095 53.158,1096 8.269,1097 134.639,1098 44.142,1099 5.598,1100 5.802,1101 6.455,1102 5.329,1103 5.261,1104 7.189,1105 3.349,1106 19.051,1107 5.157,1108 13.888,1109 1.496,1110 1.533,1111 1.561,1112 1.489,1113 1.487,1114 1.715,1115 0.267,1116 4.343,1117 1.424,1118 4.036,1119 4.059,1120 3.993,1121 3.937,1122 7.433,1123 3.946,1124 3.885,1125 3.935,1126 3.762,1127 3.776,1128 4.898,1129 3.764,1130 3.799,1131 3.86,1132 3.691,1133 3.623,1134 4.53,1135 3.633,1136 3.533,1137 3.574,1138 3.448,1139 3.382,1140 4.386,1141 3.388,1142 3.416,1143 3.489,1144 3.233,1145 3.266,1146 4.22,1147 3.246,1148 3.16,1149 3.262,1150 3.036,1151 2.941,1152 4.086,1153 2.924,1154 3.131,1155 3.206,1156 2.938,1157 2.941,1158 4.02,1159 2.91,1160 3.111,1161 3.206,1162 2.866,1163 2.918,1164 3.801,1165 2.91,1166 0.148,1167 0.123,1168 0.223,1169 0.136,1170 0.105,1171 4.598,1172 0.135,1173 3.802,1174 0.054,1175 6.902,1176 0.371,1177 4.229,1178 0.102,1179 3.261,1180 4.189,1181 1.674,1182 11.49,1183 3.157,1184 1.964,1185 1.949,1186 2.114,1187 2.091,1188 1.512,1189 2.087,1190 1.888,1191 1.84,1192 2.043,1193 2.035,1194 1.307,1195 2.051,1196 1.757,1197 1.691,1198 1.951,1199 1.95,1200 1.146,1201 1.955,1202 1.502,1203 1.457,1204 1.78,1205 1.697,1206 1.03,1207 1.721,1208 1.435,1209 1.367,1210 1.678,1211 1.617,1212 0.825,1213 1.641,1214 1.154,1215 1.064,1216 1.538,1217 1.437,1218 0.825,1219 1.477,1220 1.153,1221 1.064,1222 1.513,1223 1.376,1224 0.792,1225 1.429,1226 1.153,1227 1.052,1228 1.513,1229 1.376,1230 0.636,1231 1.429,1232 4.143,1233 5.476,1235 7.015,1237 8.647,1239 10.33,1241 6.415,1247 9.625,1249 11.944,1251 1.128,1252 4.448,1257 35.089,1258 83.617,1259 182.413,1260 270.175,1261 298.149,1262 298.149,1263 298.149,1264 48.357,1265 7.75,1266 45.92,1267 45.92,1268 24,1269 12.632,1270 3.17,1271 2.585,1272 42.643,1273 117,1274 134,1275 0.182,1276 212.761,1277 381.29,1278 510.897,1279 24486,1281 19.673,1282 0.703,1283 0.62,1284 19.673,1285 17.37,1286 13.546,1287 0.437,1288 0.346,1289 10.588,1290 13.027,1291 10.265,1292 8.511,1293 13.546,1294 10.724,1295 12.303,1296 0.28,1297 0.193,1298 12.303,1299 8.48,1300 10.579,1301 0.179,1302 0.112,1303 10.579,1304 6.602,1305 8.912,1306 0.114,1307 0.06,1308 8.912,1309 4.646,1310 7.267,1311 0.071,1312 0.033,1313 7.267,1314 3.354,1315 0.288,1316 84.758,1317 0.22,1318 26.918,1319 0.493,1320 150,1321 380.497,1322 164.902,1323 357.942,1324 496.93,1325 338,1326 178,1327 373.85,1328 193.794,1329 373.552,1330 554.44,1331 352,1332 5.506}
{0 CHEMBL633,1 1.511,2 12.29,3 7.239,4 52.402,5 142.939,6 10.756,7 0.485,8 4.15,9 4.26,10 4.056,11 3.813,12 5.149,13 3.705,14 4.712,15 4.895,16 4.523,17 4.217,18 5.642,19 4.069,20 4.951,21 5.162,22 4.838,23 4.377,24 5.898,25 4.205,26 4.978,27 5.168,28 5.433,29 4.521,30 5.991,31 4.258,32 5.049,33 5.269,34 4.84,35 4.442,36 6.036,37 4.217,38 4.973,39 5.178,40 4.782,41 4.409,42 5.953,43 4.189,44 4.867,45 5.053,46 5.173,47 4.525,48 5.818,49 4.248,50 4.907,51 5.099,52 5.034,53 4.591,54 5.856,55 4.193,56 0.034,57 0.762,58 5.041,59 6.016,60 6.854,61 7.735,62 0.174,63 1.313,64 20.889,65 11.525,66 18.13,67 13.522,68 0.353,69 1.625,70 57.933,71 17.356,72 35.832,73 17.56,74 0.371,75 1.639,76 125.168,77 21.691,78 44.253,79 19.091,80 0.34,81 1.758,82 94.272,83 22.46,84 54.51,85 20.853,86 0.486,87 1.649,88 70.13,89 18.729,90 56.942,91 18.478,92 0.171,93 1.562,94 37.715,95 18.221,96 30.408,97 18.329,98 0.294,99 1.676,100 138.483,101 28.052,102 42.548,103 22.384,104 56,105 45,106 0.246,107 0.547,108 0.734,109 0.819,110 0.824,111 0.824,112 3.472,113 1.186,114 -6.34,115 -6.17,116 -5.73,119 41.7,120 3,121 3,125 4,138 6,139 3,140 3,148 2,150 1,163 10,166 8,172 12,175 1,176 10,183 12,186 1,187 6,194 13,198 10,205 15,208 1,209 7,217 15,221 5,227 13,230 1,231 2,238 18,241 1,242 4,249 6,252 1702,253 21.077,254 21.077,255 21.077,256 21.077,257 21.077,258 19.061,259 17.618,260 12.561,261 21.74,262 16.098,263 16.098,264 16.098,265 16.098,266 16.098,267 12.934,268 16.212,269 5.71,270 17.244,271 4.396,272 2.543,273 1.392,274 0.871,275 0.838,276 0.838,277 4.151,284 792,285 4.243,287 75.38,288 197.763,291 142.67,295 2.087,296 25.682,299 0.5,300 0.5,301 0.5,302 0.8,303 0.5,304 0.5,305 0.5,306 0.54,307 64.3,308 381,309 4.704,310 3.673,311 6.974,312 4.301,313 3.297,314 4.624,315 0.86,316 11.826,317 3.314,318 4.399,319 3.358,320 6.44,321 3.918,322 3.015,323 4.106,324 0.8,325 9.876,326 2.753,327 3.922,328 3.009,329 5.998,330 3.525,331 2.545,332 3.37,334 8.372,335 2.352,336 3.526,337 2.79,338 5.483,339 3.352,340 2.435,341 2.878,343 6.816,344 2.229,345 3.439,346 2.461,347 5.27,348 3.174,349 2.178,350 2.481,352 6.64,353 2.148,354 3.232,355 2.367,356 4.917,357 2.744,358 1.879,359 2.462,361 5.327,362 1.734,363 3.166,364 2.16,365 4.879,366 2.639,367 1.752,368 2.433,370 5.225,371 1.488,372 2.874,373 1.74,374 4.217,375 2.488,376 1.488,377 2.034,379 3.498,380 1.299,381 2.731,382 1.665,383 3.722,384 2.311,385 1.384,386 1.744,388 3.033,389 1.225,390 2.431,391 1.492,392 3.612,393 2.27,394 1.289,395 1.422,397 2.725,398 1.135,399 2.322,400 1.304,401 3.449,402 2.072,403 1.076,404 1.292,406 2.412,407 1.041,408 1.948,409 1.034,410 3.243,411 1.591,412 0.618,413 0.651,415 1.26,416 0.6,417 1.618,418 0.744,419 2.962,420 1.463,421 0.533,422 0.618,424 0.791,425 0.437,426 1.571,427 0.72,428 2.653,429 1.268,430 0.327,431 0.43,433 0.762,434 0.26,435 1.368,436 0.313,437 2.618,438 1.236,439 0.245,440 0.267,442 0.4,443 0.221,444 17.186,445 0.554,446 0.678,447 0.022,448 34.5,449 1.113,450 16,451 0.516,452 18.5,453 0.597,454 39.29,455 1.267,456 32.614,457 0.544,458 20.786,459 0.671,460 5.879,461 0.19,462 9.115,463 0.294,464 0.298,466 0.285,472 0.767,473 1.167,474 0.478,475 0.625,476 0.619,477 0.884,478 1.073,479 0.94,480 0.533,481 0.591,482 0.669,483 0.773,484 1.231,485 0.789,486 0.824,487 0.826,488 0.836,489 0.757,490 1.21,491 0.948,492 0.608,493 0.657,494 1.329,495 0.856,496 1.297,497 0.97,498 1.15,499 1.126,500 1.419,501 0.952,502 1.427,503 0.917,504 1.044,505 0.984,506 1.395,507 0.91,508 0.773,509 1.02,510 1.246,511 1.115,512 1.026,513 0.986,514 0.727,515 1.295,516 2.618,517 2.214,518 1.244,519 1.526,520 5.5,521 0.103,522 3.556,523 2.917,524 1.992,525 0.987,526 0.945,527 0.729,528 0.383,529 0.243,530 11976,531 30272,532 1.993,533 48.3,534 7,535 14,539 2,540 6,542 1.739,543 1.842,544 3.522,545 -0.799,549 2,550 90.681,551 1.511,552 3.364,553 4.514,554 5.036,555 5.069,556 5.069,557 3.127,558 4.503,559 4.917,560 3.747,561 1742.43,562 8.607,563 24933.2,568 354.413,569 1.492,570 4.869,571 0.167,572 0.005,573 0.079,574 0.058,575 0.041,576 0.021,577 0.021,578 0.016,579 0.011,580 0.011,581 0.429,582 0.33,583 0.63,584 1.774,585 161.37,586 0.019,587 -0.12,588 0.001,589 -0.021,590 -0.02,591 -0.013,592 -0.035,593 0.093,594 0.026,595 0.078,596 0.038,597 0.107,598 0.013,599 0.224,600 0.026,601 0.056,602 0.119,603 0.178,604 0.049,605 0.02,606 0.219,607 0.214,608 0.073,609 0.085,610 -0.045,611 0.002,612 -0.03,613 -0.044,614 0.035,615 0.048,616 -0.061,617 0.072,618 -0.024,619 0.024,620 -0.056,621 0.059,622 -0.017,623 0.011,624 0.054,625 0.09,626 -0.04,627 0.06,628 0.043,629 -0.217,630 -0.203,631 -0.212,632 -0.132,633 -0.276,634 1.651,635 6.588,636 0.484,637 36.01,638 0.991,639 1.113,640 5.106,641 26.066,642 0.735,643 3.526,644 3.829,645 4.127,646 4.394,647 4.595,648 4.71,649 4.86,650 4.942,651 4.949,652 5.011,653 7.229,654 0.645,655 645.35,656 3.526,657 5.056,658 5.911,659 6.792,660 7.673,661 8.568,662 9.461,663 10.364,664 11.265,665 12.172,666 1.7,669 1,680 2,681 6,684 1,686 6,688 16,690 1,701 1,702 2,703 60,705 17,706 2,707 33,709 62,710 25,711 14,712 6,713 6,714 1,717 3,718 4,721 3,727 3,729 15,730 10,733 1,737 1,741 1,746 1,747 29,748 4,750 6,751 2,752 2,755 1,760 0.667,761 3,775 1,776 2,779 1,792 1,796 2,801 3,804 2,805 31,810 7,812 1,815 1,824 2,825 5,828 1,830 2,832 16.833,833 11.736,834 7.194,835 4.267,836 3.191,837 1.423,838 0.977,839 9.517,840 10.736,841 3.761,842 4.353,843 4.986,844 5.606,845 6.136,846 6.476,847 6.874,848 7.242,849 7.44,850 7.774,851 1,852 50,853 11.547,854 4.733,855 7.556,856 22.579,857 18.118,859 2.056,860 63.74,864 341.362,865 248.336,866 3.124,868 45.652,870 113.564,871 134.772,872 387.014,873 3.124,874 26.476,875 18.513,876 56.857,877 30.278,878 41.138,879 10.285,880 454.926,882 341.362,883 137.896,884 45.652,886 113.564,887 270.735,888 116.279,891 48.113,892 89.783,894 113.564,895 341.362,896 48.776,897 134.772,898 113.564,900 341.362,901 51.438,902 200.021,904 45.652,905 341.362,906 48.776,907 134.772,908 113.564,909 0.566,910 0.346,911 0.188,912 0.099,913 19,914 10,915 0.177,916 11,917 1,918 1.133,919 4.09,920 273.223,921 0.133,922 15,923 143.58,928 24.83,929 11.882,930 5.959,931 1.667,932 48.776,933 11.675,936 6.071,938 4.927,941 638.474,942 42,946 13.588,950 0.015,952 59.476,953 66.796,954 0.256,955 0.57,956 0.764,957 0.853,958 0.858,959 0.858,960 4.99,961 1.488,962 5.894,963 5.225,964 4.511,965 5.04,966 1.235,967 6.732,968 4.394,969 6.194,970 1.384,971 7.473,972 3.498,973 4.111,974 4.945,975 0.325,976 7.719,977 3.883,978 7.512,979 1.289,980 9.156,981 3.033,982 6.12,983 7.295,984 0.938,985 10.857,986 5.947,987 8.872,988 1.076,989 10.903,990 2.725,991 6.581,992 8.077,993 0.268,994 12.699,995 6.35,996 10.271,997 0.618,998 12.691,999 2.412,1000 8.048,1001 9.911,1002 0.732,1003 15.371,1004 7.846,1005 11.698,1006 0.533,1007 14.506,1008 1.26,1009 8.901,1010 11.091,1011 0.188,1012 17.566,1013 8.679,1014 13.146,1015 0.327,1016 16.343,1017 0.791,1018 10.168,1019 12.729,1020 0.57,1021 20.087,1022 9.963,1023 3.297,1024 0.245,1025 18.195,1026 0.762,1027 11.198,1028 14.091,1029 0.125,1030 22.433,1031 10.995,1032 3.015,1033 11.826,1034 20.06,1035 0.4,1036 12.394,1037 15.65,1038 0.438,1039 24.905,1040 12.206,1041 2.545,1042 9.876,1043 21.936,1044 4.624,1045 13.503,1046 17.095,1047 0.082,1048 27.315,1049 13.326,1050 2.435,1051 8.372,1052 23.82,1053 4.106,1054 14.677,1055 18.625,1056 0.334,1057 29.775,1058 14.516,1059 2.178,1060 6.816,1061 25.711,1062 3.37,1063 15.821,1064 20.108,1065 0.054,1066 32.213,1067 15.675,1068 1.879,1069 6.64,1070 27.608,1071 2.878,1072 16.992,1073 21.628,1074 0.252,1075 34.671,1076 16.862,1077 1.752,1078 5.327,1079 29.511,1080 2.481,1081 18.153,1082 23.13,1083 0.035,1084 37.123,1085 18.039,1086 11997,1087 19350,1088 21.383,1089 44.108,1090 48.323,1091 49.949,1092 51.427,1093 48.797,1094 48.125,1095 61.632,1096 3.32,1097 137.928,1098 44.468,1099 5.608,1100 5.673,1101 6.834,1102 5.373,1103 5.297,1104 7.624,1105 1.72,1106 19.266,1107 5.314,1108 18.142,1109 1.464,1110 1.514,1111 1.558,1112 1.479,1113 1.458,1114 1.868,1115 0.101,1116 4.18,1117 1.348,1118 4.135,1119 4.137,1120 10.699,1121 4.14,1122 7.427,1123 4.063,1124 3.902,1125 3.912,1126 10.692,1127 4.004,1128 5.1,1129 3.872,1130 3.736,1131 3.81,1132 4.102,1133 3.646,1134 4.787,1135 3.541,1136 3.662,1137 3.728,1138 3.744,1139 3.551,1140 4.4,1141 3.527,1142 3.432,1143 3.466,1144 3.595,1145 3.536,1146 4.355,1147 3.308,1148 3.328,1149 3.407,1150 3.5,1151 3.367,1152 4.195,1153 3.124,1154 3.306,1155 3.393,1156 3.304,1157 3.138,1158 4.117,1159 3.089,1160 3.128,1161 3.171,1162 3.164,1163 3.123,1164 3.892,1165 2.972,1166 0.143,1167 0.111,1168 0.211,1169 0.13,1170 0.1,1171 4.704,1172 0.14,1173 3.673,1174 0.026,1175 6.974,1176 0.358,1177 4.301,1178 0.1,1179 3.297,1180 4.624,1181 0.86,1182 11.826,1183 3.314,1184 1.954,1185 1.944,1186 2.026,1187 2.013,1188 1.289,1189 2.02,1190 1.867,1191 1.855,1192 1.978,1193 1.958,1194 1.209,1195 1.964,1196 1.73,1197 1.682,1198 1.957,1199 1.921,1200 1.156,1201 1.936,1202 1.695,1203 1.619,1204 1.871,1205 1.865,1206 1.078,1207 1.895,1208 1.443,1209 1.411,1210 1.725,1211 1.634,1212 0.886,1213 1.639,1214 1.351,1215 1.256,1216 1.662,1217 1.584,1218 0.869,1219 1.638,1220 1.323,1221 1.253,1222 1.626,1223 1.553,1224 0.821,1225 1.583,1226 1.111,1227 1.064,1228 1.327,1229 1.301,1230 0.484,1231 1.319,1232 4.205,1233 5.509,1234 2.398,1235 7.018,1236 4.844,1237 8.627,1238 7.05,1239 10.292,1241 6.464,1244 4.538,1247 6.374,1249 6.088,1252 2.333,1257 38.701,1258 90.681,1259 201.842,1260 270.865,1261 302.149,1262 304.149,1263 304.149,1264 68.252,1265 7.545,1266 42.68,1267 42.68,1268 17,1269 12.691,1270 4.17,1271 3.322,1272 58.198,1273 132,1274 147,1275 0.216,1276 258.932,1277 438.09,1278 623.555,1279 18978,1280 3.3,1281 22.38,1282 0.722,1283 0.731,1284 25.38,1285 22.657,1286 14.994,1287 0.454,1288 0.395,1289 10.915,1290 13.231,1291 10.451,1292 8.711,1293 16.726,1294 13.046,1295 12.746,1296 0.283,1297 0.218,1298 14.971,1299 9.798,1300 11.007,1301 0.18,1302 0.116,1303 12.998,1304 7.064,1305 9.141,1306 0.114,1307 0.072,1308 11.967,1309 5.728,1310 6.991,1311 0.071,1312 0.031,1313 8.513,1314 3.083,1315 0.339,1316 120.014,1317 0.216,1318 29.149,1319 0.591,1320 156,1321 430.149,1322 465.754,1323 492.278,1324 654.42,1325 460,1326 184,1327 424.095,1328 318.334,1329 455.601,1330 677.19,1331 431,1332 4.803}
{0 CHEMBL83338,1 1.614,2 13.351,3 5.373,4 28.871,5 154.359,6 7.96,7 0.439,8 4.33,9 4.428,10 4.133,11 3.992,12 5.278,13 3.904,14 4.926,15 5.085,16 4.461,17 4.438,18 5.999,19 4.327,20 5.255,21 5.442,22 4.56,23 4.654,24 6.219,25 4.504,26 5.444,27 5.667,28 4.496,29 4.674,30 6.4,31 4.5,32 5.438,33 5.687,34 4.405,35 4.607,36 6.353,37 4.432,38 5.366,39 5.61,40 4.354,41 4.55,42 6.291,43 4.377,44 5.33,45 5.584,46 4.424,47 4.537,48 6.233,49 4.362,50 5.253,51 5.476,52 4.416,53 4.538,54 6.248,55 4.371,56 0.101,57 0.984,58 18.317,59 7.651,60 17.696,61 9.248,62 0.376,63 1.72,64 32.756,65 13.285,66 54.303,67 16.467,68 0.271,69 2.289,70 53.431,71 20.298,72 57.478,73 24.326,74 0.55,75 2.644,76 66.519,77 23.86,78 109.615,79 28.53,80 0.625,81 2.626,82 67.853,83 22.939,84 100.952,85 28.362,86 0.621,87 2.394,88 61.9,89 20.984,90 98.456,91 26.623,92 0.659,93 2.325,94 62.017,95 20.393,96 83.587,97 25.829,98 0.532,99 2.133,100 58.057,101 20.049,102 90.762,103 24.729,104 26,105 60,106 0.251,107 0.511,108 0.681,109 0.812,110 0.859,111 0.859,112 3.642,113 1.163,114 -5.6,115 -5.47,116 -5.1,119 41.4,121 3,122 1,123 1,124 1,125 5,138 13,139 2,140 3,163 17,165 3,166 4,172 21,176 13,183 15,187 16,194 11,197 1,198 12,205 9,208 1,209 9,217 10,220 2,221 7,227 16,231 8,238 16,242 8,249 19,252 2820,253 24.763,254 24.763,255 24.763,256 24.763,257 24.763,258 22.216,259 27.153,260 14.34,261 25.463,262 20.184,263 20.184,264 20.184,265 20.184,266 20.184,267 16.322,268 31.443,269 6.737,270 21.348,271 4.516,272 2.849,273 1.752,274 0.911,275 0.611,276 0.611,277 4.344,279 1,284 1083,285 4.637,287 96.407,288 534.585,291 180.02,295 1.801,296 42.205,299 0.5,300 0.83,301 0.83,302 0.7,303 0.5,304 0.83,305 1,306 0.74,307 78.333,308 494,309 4.924,310 4.858,311 7.748,312 4.578,313 3.602,314 4.753,315 2.95,316 14.483,317 3.523,318 4.74,319 4.723,320 7.641,321 4.421,322 3.499,323 4.172,324 0.8,325 13.441,326 3.203,327 4.153,328 3.503,329 6.177,330 3.86,331 2.877,332 3.708,333 0.4,334 9.196,335 2.828,336 3.847,337 3.162,338 6.144,339 3.541,340 2.621,341 3.088,343 8.756,344 2.409,345 3.618,346 2.835,347 5.455,348 3.288,349 2.368,350 3.038,352 6.873,353 2.171,354 3.531,355 2.815,356 5.327,357 3.191,358 2.263,359 2.766,361 6.352,362 2.123,363 3.373,364 2.718,365 5.129,366 3.068,367 2.109,368 2.588,370 5.855,371 1.958,372 3.318,373 2.371,374 5.035,375 2.811,376 1.891,377 2.395,379 5.442,380 1.692,381 2.898,382 1.838,383 4.363,384 2.54,385 1.599,386 1.99,388 4.194,389 1.467,390 2.729,391 1.678,392 4.047,393 2.328,394 1.365,395 1.817,397 3.302,398 1.29,399 2.699,400 1.537,401 3.942,402 2.251,403 1.263,404 1.769,406 2.911,407 1.237,408 2.595,409 1.253,410 3.802,411 2.119,412 1.128,413 1.603,415 2.61,416 1.109,417 2.523,418 1.16,419 3.626,420 2.027,421 1.053,422 1.5,424 2.566,425 1.019,426 2.5,427 1.083,428 3.51,429 2,430 1,431 1.485,433 2.469,434 1,435 2.326,436 1.077,437 3.471,438 1.984,439 1,440 1.266,442 2.372,443 0.983,444 18.681,445 0.505,446 1.062,447 0.029,448 45.25,449 1.223,450 22.5,451 0.608,452 22.75,453 0.615,454 39.86,455 1.077,456 40.119,457 0.573,458 36.718,459 0.992,460 8.163,461 0.221,462 9.619,463 0.26,464 0.119,465 0.071,466 0.248,472 0.431,473 1.275,474 0.753,475 1.13,476 0.59,477 0.962,478 0.69,479 0.964,480 0.839,481 0.88,482 0.518,483 0.907,484 0.887,485 1.166,486 1.099,487 1.176,488 0.755,489 1.106,490 1.198,491 1.121,492 1.036,493 1.079,494 1.23,495 1.075,496 1.112,497 1.011,498 0.972,499 0.978,500 1.079,501 0.984,502 1.033,503 1.025,504 0.952,505 0.956,506 1.029,507 1.015,508 0.906,509 0.865,510 0.808,511 0.81,512 0.879,513 0.892,514 0.841,515 1.003,516 1.073,517 1.065,518 0.785,519 1.041,520 9,521 0.316,522 5.778,523 3.486,524 2.054,525 1.448,526 0.988,527 0.65,528 0.495,529 0.377,530 21848,531 58758,532 2.087,533 47.1,535 26,540 7,542 1.783,543 1.947,544 3.653,545 -0.778,550 112.948,551 1.614,552 3.281,553 4.377,554 5.218,555 5.518,556 5.518,557 3.045,558 4.533,559 5.185,560 3.863,561 2573.02,562 9.134,563 42280,568 429.05,569 1.578,570 5.128,571 0.22,572 0.007,573 0.096,574 0.054,575 0.036,576 0.027,577 0.02,578 0.013,579 0.01,580 0.008,581 0.491,582 0.17,583 0.63,584 0.531,585 203.679,586 0.151,587 -0.123,588 0.174,589 -0.046,590 -0.094,591 0.031,592 0.132,593 0.16,594 0.032,595 0.095,596 0.171,597 0.047,598 -0.055,599 -0.117,600 -0.105,601 -0.132,602 0.04,603 -0.114,604 -0.122,605 -0.125,606 -0.097,607 -0.086,608 -0.074,609 -0.101,610 -0.081,611 -0.021,612 -0.049,613 -0.029,614 -0.061,615 -0.016,616 -0.031,617 -0.061,618 -0.042,619 -0.043,620 -0.056,621 -0.046,622 0.035,623 0.116,624 0.09,625 0.102,626 -0.018,627 0.078,628 0.066,629 -0.035,630 -0.039,631 -0.08,632 0.065,633 -0.042,634 4.503,635 6.207,636 0.703,637 39.226,638 0.997,639 1.115,640 4.369,641 19.091,642 0.696,643 3.738,644 4.111,645 4.407,646 4.654,647 4.89,648 4.913,649 5.037,650 5.136,651 5.176,652 5.257,653 7.983,654 0.64,655 557.23,656 3.738,657 5.313,658 6.184,659 7.088,660 7.98,661 8.888,662 9.789,663 10.7,664 11.606,665 12.519,666 2.9,669 2,681 13,686 5,688 18,702 1,703 70,705 21,706 3,707 41,709 74,710 29,711 18,712 5,713 13,717 5,718 6,719 1,722 1,723 1,724 2,727 3,729 18,730 11,731 1,733 3,736 1,737 3,742 1,747 33,748 5,750 8,751 3,755 2,760 0.6,761 3,775 1,776 4,779 1,792 1,796 3,799 2,801 1,802 1,805 37,807 1,808 1,810 8,814 1,815 2,816 1,824 1,825 4.3,828 3,832 19,833 12.543,834 7.958,835 4.252,836 2.191,837 1.269,838 0.992,839 7.904,840 10.323,841 3.989,842 4.58,843 5.086,844 5.555,845 6.015,846 6.035,847 6.296,848 6.37,849 6.51,850 6.667,851 0.889,852 64,853 14.082,854 6.412,855 7.721,856 27.055,857 23.76,859 2.221,860 82.167,864 388.446,865 186.427,866 4.643,867 39.149,868 66.469,870 24.94,871 161.487,872 494.064,873 4.643,874 8.396,875 16.926,876 148.131,877 66.469,878 17.616,880 388.446,881 39.149,882 388.446,883 166.13,884 66.469,885 64.089,887 306.049,888 148.867,891 21.569,892 144.561,893 44.956,894 19.133,895 388.446,896 71.112,897 225.576,899 5.807,900 407.579,901 29.899,902 136.23,904 105.618,905 388.446,906 71.112,907 225.576,909 0.594,910 0.355,911 0.187,912 0.103,913 30,914 13,915 0.108,916 8,917 1,918 1.115,919 4.639,920 367.685,921 0.077,922 27,923 182.75,926 1,927 1,928 26.588,929 10.999,930 5.574,932 71.112,933 24.568,938 4.301,941 685.134,942 53,945 -3.586,946 39.153,951 -0.909,952 69.8,953 78.052,954 0.263,955 0.535,956 0.714,957 0.851,958 0.9,959 0.9,960 5.265,961 1.891,962 6.225,963 5.855,964 4.796,965 5.268,966 2.98,967 7.138,968 4.69,969 6.493,970 1.599,971 7.861,972 5.442,973 4.635,974 5.27,975 0.325,976 8.558,977 4.438,978 7.845,979 1.365,980 9.623,981 4.194,982 6.547,983 7.501,984 5.03,985 11.648,986 6.345,987 9.24,988 1.263,989 11.467,990 3.302,991 7.238,992 8.358,993 0.268,994 13.921,995 6.964,996 10.678,997 1.128,998 13.365,999 2.911,1000 8.688,1001 10.133,1002 7.185,1003 16.664,1004 8.399,1005 12.147,1006 1.053,1007 15.302,1008 2.61,1009 9.728,1010 11.363,1011 0.188,1012 19.2,1013 9.383,1014 13.64,1015 1,1016 17.266,1017 2.566,1018 11.035,1019 12.98,1020 9.348,1021 21.868,1022 10.665,1023 3.602,1024 1,1025 19.249,1026 2.469,1027 12.212,1028 14.377,1029 0.125,1030 24.481,1031 11.797,1032 3.499,1033 14.483,1034 21.246,1035 2.372,1036 13.481,1037 15.939,1038 11.511,1039 27.134,1040 13.036,1041 2.877,1042 13.441,1043 23.254,1044 4.753,1045 14.711,1046 17.412,1047 0.082,1048 29.773,1049 14.228,1050 2.621,1051 9.196,1052 25.27,1053 4.172,1054 15.973,1055 18.956,1056 13.675,1057 32.424,1058 15.458,1059 2.368,1060 8.756,1061 27.292,1062 3.708,1063 17.225,1064 20.466,1065 0.054,1066 35.072,1067 16.675,1068 2.263,1069 6.873,1070 29.318,1071 3.088,1072 18.488,1073 22.007,1074 15.838,1075 37.725,1076 17.908,1077 2.109,1078 6.352,1079 31.347,1080 3.038,1081 19.748,1082 23.535,1083 0.035,1084 40.378,1085 19.137,1086 20373,1087 33584,1088 27.216,1089 48.711,1090 62.845,1091 65.687,1092 64.637,1093 62.685,1094 62.356,1095 79.029,1096 8.3,1097 188.574,1098 59.011,1099 5.924,1100 6.858,1101 7.55,1102 5.676,1103 5.602,1104 7.753,1105 5.9,1106 22.431,1107 5.523,1108 18.227,1109 1.533,1110 1.602,1111 1.577,1112 1.529,1113 1.521,1114 1.928,1115 0.202,1116 4.599,1117 1.439,1118 4.115,1119 4.124,1120 4.741,1121 4.096,1122 7.715,1123 4.038,1124 4.059,1125 4.053,1126 4.406,1127 4.054,1128 7.396,1129 3.975,1130 3.929,1131 3.949,1132 4.007,1133 3.886,1134 6.999,1135 3.87,1136 3.745,1137 3.799,1138 3.714,1139 3.617,1140 4.939,1141 3.61,1142 3.673,1143 3.704,1144 3.68,1145 3.575,1146 4.728,1147 3.532,1148 3.503,1149 3.541,1150 3.584,1151 3.42,1152 4.705,1153 3.376,1154 3.365,1155 3.38,1156 3.491,1157 3.318,1158 4.375,1159 3.229,1160 3.168,1161 3.214,1162 3.211,1163 3.004,1164 4.288,1165 2.97,1166 0.12,1167 0.118,1168 0.189,1169 0.112,1170 0.088,1171 4.924,1172 0.116,1173 4.858,1174 0.072,1175 7.748,1176 0.353,1177 4.578,1178 0.086,1179 3.602,1180 4.753,1181 2.95,1182 14.483,1183 3.523,1184 1.979,1185 1.978,1186 2.097,1187 2.078,1188 1.482,1189 2.102,1190 1.946,1191 1.921,1192 2.042,1193 2.037,1194 1.367,1195 2.063,1196 1.917,1197 1.898,1198 1.994,1199 1.982,1200 1.166,1201 2.005,1202 1.784,1203 1.753,1204 1.911,1205 1.889,1206 1.093,1207 1.916,1208 1.624,1209 1.59,1210 1.794,1211 1.78,1212 1.007,1213 1.805,1214 1.485,1215 1.463,1216 1.657,1217 1.652,1218 0.906,1219 1.693,1220 1.303,1221 1.289,1222 1.513,1223 1.446,1224 0.825,1225 1.505,1226 1.153,1227 1.078,1228 1.462,1229 1.376,1230 0.797,1231 1.429,1232 4.419,1233 5.778,1234 2.398,1235 7.34,1236 4.949,1237 8.991,1238 7.222,1239 10.687,1241 1.655,1242 6.315,1247 6.703,1251 0.012,1252 3.933,1253 0.022,1257 44.818,1258 112.948,1259 229.645,1260 306.415,1261 365.275,1262 386.295,1263 386.295,1264 89.53,1265 8.132,1266 57.69,1267 85.28,1268 29,1269 13.034,1270 4.459,1271 3.7,1272 56.667,1273 174,1274 165,1275 0.151,1276 281.807,1277 492.6,1278 679.369,1279 40307,1280 1.4,1281 26.045,1282 0.704,1283 0.634,1284 27.084,1285 23.442,1286 17.782,1287 0.434,1288 0.388,1289 12.923,1290 15.662,1291 12.297,1292 10.118,1293 19.519,1294 15.893,1295 16.704,1296 0.278,1297 0.236,1298 19.279,1299 14.148,1300 14.339,1301 0.177,1302 0.144,1303 16.895,1304 11.701,1305 11.573,1306 0.111,1307 0.087,1308 13.853,1309 9.069,1310 9.61,1311 0.073,1312 0.052,1313 11.637,1314 6.926,1315 0.238,1316 127.178,1317 0.192,1318 33.681,1319 0.408,1320 202,1321 520.421,1322 296.394,1323 580.034,1324 776.81,1325 534,1326 242,1327 494.719,1328 340.65,1329 577.341,1330 839.4,1331 540,1332 5}
{0 CHEMBL964,1 1.568,2 7.375,3 4.551,4 20.712,5 88.233,6 8.239,8 3.591,9 3.724,10 3.45,11 3.245,12 4.493,13 3.043,14 4.141,15 4.387,16 3.835,17 3.532,18 4.935,19 3.288,20 4.289,21 4.548,22 3.999,23 3.763,24 5.051,25 3.478,26 4.302,27 4.461,28 3.893,29 3.926,30 5.241,31 3.559,32 4.374,33 4.591,34 3.658,35 3.804,36 5.228,37 3.345,38 3.904,39 4.144,40 3.171,41 3.306,42 4.622,43 2.99,44 3.74,45 3.906,46 3.175,47 3.242,48 4.793,49 2.998,50 3.899,51 4.1,52 2.654,53 3.238,54 4.762,55 2.963,56 0.043,57 0.533,58 11.509,59 4.386,60 4.826,61 5.016,62 0.199,63 0.879,64 26.02,65 7.071,66 13.423,67 7.681,68 0.208,69 0.996,70 30.843,71 9.308,72 12.043,73 9.713,74 0.124,75 1.086,76 37.278,77 12.901,78 21.959,79 12.12,80 0.256,81 1.146,82 58.144,83 16.019,84 31.89,85 12.765,86 0.103,87 0.662,88 25.856,89 7.908,90 7.521,91 7.308,92 0.117,93 0.619,94 17.627,95 5.359,96 17.213,97 5.469,98 0.15,99 0.665,100 21.616,101 6.222,102 15.561,103 6.452,104 64,105 18,106 0.301,107 0.404,108 0.507,109 0.507,110 0.507,111 0.507,112 2.849,113 1.698,114 -2.99,115 -2.99,116 -2.89,119 27.8,120 4,125 4,152 2,166 4,194 2,197 1,221 4,249 4,252 268,253 10.585,254 10.585,255 10.585,256 10.585,257 10.585,258 10.325,259 14.201,260 6.198,261 11.392,262 7.048,263 7.048,264 7.048,265 7.048,266 7.048,267 6.503,268 13.253,269 2.49,270 8.176,271 3.602,272 3.068,273 2.528,274 2.528,275 2.528,276 2.528,277 3.438,283 1,284 212,285 4.243,295 1.125,296 8.274,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 33,308 118,309 3.979,310 4.674,311 6.026,312 3.654,313 2.803,314 3.149,315 3.542,316 8.49,317 2.386,318 3.866,319 4.471,320 5.965,321 3.557,322 2.694,323 3.019,324 3.542,325 8.286,326 2.328,327 2.784,328 2.505,329 4.303,330 2.543,331 1.678,332 1.769,333 0.599,334 4.062,335 1.421,336 2.618,337 2.409,338 3.97,339 2.148,340 1.33,341 1.548,342 0.599,343 3.097,344 1.065,345 1.686,346 2.171,347 2.808,348 1.591,349 0.618,350 0.618,352 0.791,353 0.6,354 1.618,355 1.872,356 2.618,357 1.591,358 0.618,359 0.618,361 0.791,362 0.6,363 1.618,364 0.744,365 2.618,366 1.276,367 0.365,368 0.422,370 0.697,371 0.323,372 0.789,373 0.744,374 2.135,375 0.612,376 -0.33,377 -0.339,379 -0.418,380 -0.308,381 0.781,382 0.013,383 1.559,384 0.515,385 -0.398,386 -0.45,388 -0.536,389 -0.358,390 0.382,391 -0.036,392 1.313,393 -0.3,394 -1,395 -1.329,396 -0.4,397 -2.422,398 -0.7,399 -0.293,400 -0.598,401 0.697,402 -0.683,403 -1.509,404 -1.618,405 -0.4,406 -3.742,407 -1.239,408 -0.618,409 -1.167,410 0.618,411 -0.691,412 -1.618,413 -1.618,414 -0.867,415 -3.791,416 -1.486,417 -0.618,418 -1.214,419 0.606,420 -0.691,421 -1.618,422 -1.89,423 -0.867,424 -3.791,425 -1.5,426 -0.655,427 -1.344,428 0.382,429 -0.817,430 -1.694,431 -1.899,432 -2.874,433 -5.542,434 -1.5,435 -0.937,436 -1.344,437 0.382,438 -1.105,439 -1.939,440 -2,441 -2.874,442 -5.97,443 -1.634,444 9.133,445 0.571,446 0.315,447 0.02,448 11,449 0.688,450 2,451 0.125,452 9,453 0.563,454 20.287,455 1.268,456 19.067,457 0.53,458 4.08,459 0.255,460 1.396,461 0.087,462 6.204,463 0.388,464 0.401,466 0.197,472 0.911,473 1.353,474 0.575,475 0.779,476 0.754,477 1.071,478 1.242,479 0.995,480 0.472,481 0.593,482 0.553,483 0.738,484 1.225,485 0.511,486 0.533,487 0.451,488 0.67,489 0.555,490 0.936,491 1.358,492 1.674,493 1.595,494 1.45,495 1.412,496 1.072,497 1.47,498 2.146,499 1.998,500 1.591,501 1.418,502 0.965,503 1.155,504 1.407,505 1.315,506 0.699,507 0.989,508 2.256,509 1.356,510 1.507,511 1.349,512 2.212,513 1.295,514 2.289,515 1.248,516 1.607,517 1.456,518 2.342,519 1.505,520 3.5,522 2.444,523 1.25,524 0.32,525 0.333,526 0.327,527 0.125,528 0.099,530 1543,531 4461,532 1.707,533 55.6,535 8,540 12,542 1.55,543 1.548,544 2.935,545 -0.612,550 56.459,551 1.568,552 2.102,553 2.642,554 2.642,555 2.642,556 2.642,557 2.25,558 2.5,559 3.973,560 3.057,561 366.809,562 6.686,563 3356.49,568 186.117,569 1.561,570 3.873,571 0.233,573 0.136,574 0.06,575 0.018,576 0.028,577 0.027,578 0.01,579 0.012,581 0.524,582 0.67,583 1,584 2.156,585 65.919,586 0.134,587 -0.263,588 0.166,589 0.043,590 -0.093,591 -0.071,592 0.223,593 0.028,594 0.329,595 0.216,596 0.18,597 0.158,598 0.02,599 0.503,600 0.36,601 0.448,602 0.129,603 0.384,604 -0.16,605 -0.203,606 -0.259,607 -0.233,608 -0.11,609 -0.257,610 -0.04,611 -0.299,612 -0.42,613 -0.429,614 -0.141,615 -0.262,616 -0.011,617 -0.116,618 -0.172,619 -0.13,620 0.082,621 0.058,622 -0.557,623 -0.125,624 -0.392,625 -0.281,626 -0.287,627 -0.301,628 -0.82,629 -0.119,630 -0.615,631 -0.482,632 -0.707,633 -0.548,634 0.746,635 1.674,637 10.25,638 0.985,639 1.123,640 1.761,641 3.102,642 0.707,643 2.773,644 2.944,645 3.091,646 2.944,647 2.565,648 2.565,649 2.565,650 2.197,651 1.609,653 4.761,654 0.598,655 296.6,656 2.773,657 4.205,658 4.977,659 5.765,660 6.55,661 7.343,662 8.131,663 8.926,664 9.716,665 10.511,666 5.6,673 2,703 36,705 2,707 15,709 35,710 10,721 4,729 2,730 8,733 2,738 2,741 2,747 20,748 2,750 6,751 4,755 2,793 2,798 1,799 4,801 4,805 16,810 4,813 2,815 2,832 10.333,833 7.567,834 4.139,835 2.694,836 0.204,837 1.041,838 0.87,839 10.29,840 5.124,841 2.89,842 3.135,843 3.332,844 3.219,845 2.89,846 2.833,847 2.833,848 2.197,849 1.609,851 0.8,852 21,853 5.894,854 2.101,855 7.521,856 11.579,857 8.213,858 -0.001,859 2.021,860 32.333,861 0.005,864 235.422,865 194.471,866 6.249,870 150.748,871 43.724,872 235.422,873 6.249,874 35.301,875 14.671,880 295.786,881 90.384,882 235.422,883 49.972,885 150.748,887 94.169,888 141.253,891 49.972,894 150.748,895 235.422,896 6.249,897 194.471,900 235.422,901 68.786,902 41.549,904 90.384,905 235.422,906 6.249,907 194.471,909 0.542,910 0.35,911 0.153,912 0.039,913 4,914 4,915 0.2,916 7,919 2.66,920 86.109,923 40,924 2,925 2,928 16.805,929 9.797,930 6.364,932 6.249,941 436.142,942 17,947 10.682,950 1.842,952 35.462,953 40.413,954 0.303,955 0.407,956 0.511,957 0.511,958 0.511,959 0.511,960 4.06,961 -0.33,962 4.934,963 0.697,964 3.611,965 3.807,966 3.81,967 5.652,968 3.322,969 5.159,970 -0.398,971 6.475,972 -0.418,973 3.219,974 3.611,975 3.724,976 6.581,977 2.711,978 6.407,979 -1,980 8.121,981 -0.536,982 5.13,983 5.549,984 6.118,985 9.483,986 4.535,987 7.691,988 -1.509,989 9.822,990 -2.422,991 5.565,992 6.176,993 6.584,994 11.147,995 4.762,996 9.007,997 -1.618,998 11.556,999 -3.742,1000 6.929,1001 7.589,1002 8.533,1003 13.576,1004 6.019,1005 10.34,1006 -1.618,1007 13.31,1008 -3.791,1009 7.702,1010 8.531,1011 9.284,1012 15.505,1013 6.607,1014 11.685,1015 -1.694,1016 15.077,1017 -3.791,1018 8.86,1019 9.765,1020 10.984,1021 17.765,1022 7.633,1023 2.803,1024 -1.939,1025 16.851,1026 -5.542,1027 9.773,1028 10.825,1029 11.911,1030 19.803,1031 8.376,1032 2.694,1033 8.49,1034 18.631,1035 -5.97,1036 10.849,1037 11.994,1038 13.458,1039 21.993,1040 9.307,1041 1.678,1042 8.286,1043 20.414,1044 3.149,1045 11.82,1046 13.099,1047 14.5,1048 24.079,1049 10.117,1050 1.33,1051 4.062,1052 22.2,1053 3.019,1054 12.862,1055 14.245,1056 15.949,1057 26.236,1058 11.007,1059 0.618,1060 3.097,1061 23.987,1062 1.769,1063 13.859,1064 15.367,1065 17.067,1066 28.345,1067 11.845,1068 0.618,1069 0.791,1070 25.776,1071 1.548,1072 14.887,1073 16.504,1074 18.453,1075 30.487,1076 12.718,1077 0.365,1078 0.791,1079 27.565,1080 0.618,1081 15.895,1082 17.633,1083 19.621,1084 32.607,1085 13.568,1086 1840,1087 3288,1088 8.553,1089 25.455,1090 20.472,1091 25.084,1092 23.016,1093 20.402,1094 20.211,1095 22.287,1096 16.565,1097 52.427,1098 17.449,1099 4.916,1100 6.018,1101 5.644,1102 4.759,1103 4.742,1104 5.149,1105 6.417,1106 14.46,1107 4.02,1108 11.43,1109 1.365,1110 1.672,1111 1.534,1112 1.36,1113 1.347,1114 1.486,1115 1.104,1116 3.495,1117 1.163,1118 3.744,1119 3.807,1120 4.337,1121 3.716,1122 4.793,1123 3.599,1124 3.682,1125 3.757,1126 3.909,1127 3.536,1128 4.708,1129 3.503,1130 3.306,1131 3.407,1132 3.455,1133 3.29,1134 4.14,1135 3.136,1136 3.306,1137 3.407,1138 3.318,1139 3.123,1140 4.121,1141 3.089,1142 3.183,1143 3.169,1144 3.177,1145 3.123,1146 3.892,1147 3.089,1148 2.979,1149 3.006,1150 3.04,1151 3.079,1152 3.892,1153 2.912,1154 2.499,1155 2.612,1156 3.04,1157 2.341,1158 3.157,1159 2.192,1160 2.418,1161 2.511,1162 2.234,1163 2.19,1164 3.117,1165 2.124,1166 0.265,1167 0.312,1168 0.402,1169 0.244,1170 0.187,1171 3.979,1172 0.21,1173 4.674,1174 0.236,1175 6.026,1176 0.566,1177 3.654,1178 0.159,1179 2.803,1180 3.149,1181 3.542,1182 8.49,1183 2.386,1184 1.674,1185 1.618,1186 1.905,1187 1.877,1188 1.123,1189 1.9,1190 1.652,1191 1.58,1192 1.904,1193 1.87,1194 1.115,1195 1.891,1196 1.351,1197 1.256,1198 1.725,1199 1.584,1200 0.869,1201 1.638,1202 1.351,1203 1.256,1204 1.725,1205 1.584,1206 0.869,1207 1.638,1208 1.137,1209 1.163,1210 1.139,1211 1.138,1212 0.348,1213 1.239,1214 0.938,1215 0.936,1216 1.125,1217 1.079,1218 0.263,1219 1.139,1220 0.514,1221 0.392,1222 0.9,1223 0.696,1224 0.06,1225 0.844,1226 0.438,1227 0.332,1228 0.9,1229 0.686,1230 0.058,1231 0.769,1232 3.434,1233 4.635,1235 6.043,1237 7.53,1239 9.049,1241 8.459,1247 3.837,1250 3.184,1252 4.329,1257 21.532,1258 56.459,1259 75.679,1260 95.098,1261 95.098,1262 95.098,1263 95.098,1264 43.712,1265 4.92,1266 6.48,1267 121.26,1269 11.112,1270 1.585,1271 1.585,1272 60.801,1273 46,1274 34,1275 0.685,1276 158.951,1277 272.32,1278 379.601,1279 502,1281 12.552,1282 0.785,1283 0.851,1284 14.259,1285 13.622,1286 7.599,1287 0.507,1288 0.566,1289 5.673,1290 6.205,1291 5.173,1292 4.433,1293 9.21,1294 8.49,1295 5.685,1296 0.316,1297 0.358,1298 7.996,1299 6.44,1300 4.784,1301 0.228,1302 0.284,1303 7.585,1304 5.959,1305 3.184,1306 0.177,1307 0.233,1308 5.61,1309 4.199,1310 1.158,1311 0.097,1312 0.206,1313 3.291,1314 2.471,1315 1.063,1316 61.602,1317 0.342,1318 16.446,1319 1.887,1320 66,1321 184.732,1322 154.401,1323 267.631,1324 344.98,1325 246,1326 72,1327 181.98,1328 147.958,1329 237.513,1330 340.68,1331 220,1332 5.217}