"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","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.015","C.016","C.017","C.019","C.020","C.024","C.025","C.026","C.027","C.028","C.029","C.033","C.035","C.036","C.038","C.040","C.041","C.042","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","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_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_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_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_08_PP","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_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.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr03","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","DECC","DELS","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.082","F.083","F.084","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","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","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","NaaaC","NaaCH","NaaN","NaaNH","NaaS","NaasC","nAB","nArCONHR","nArCONR2","nArNH2","nArNHR","nArNR2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCR2X2","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp2","nCsp3","nCt","nDB","NdCH2","NddssS","NdO","NdS","NdsCH","NdsN","NdssC","NdsssP","Neoplastic.50","Neoplastic.80","nF","nH","nHAcc","nHDon","nHet","nHM","nImidazoles","nN","nN.N","NNRS","nO","nOHp","nOHs","nOHt","nP","nPO4","nPyridines","nPyrrolidines","nR03","nR05","nR06","nR07","nR08","nR09","nR10","nRC.N","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nS","NsCH3","NsCl","NsF","nSK","NsNH2","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nThiophenes","nX","O.","O.056","O.057","O.058","O.059","O.060","ON0","ON0V","ON1","ON1V","P.117","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_A","Psi_i_s","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_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","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.107","S.108","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaS","SaasC","SAdon","SAtot","SCBO","SdCH2","SddssS","SdO","SdS","SdsCH","SdsN","SdssC","SdsssP","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW03","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsCH3","SsCl","SsF","SsNH2","SsOH","SssCH2","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","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 1.89,2 8,3 1.728,4 2.987,5 88.425,6 9.612,7 0.429,8 3.813,9 3.876,10 3.749,11 3.367,12 5.023,13 3.379,14 4.351,15 4.412,16 4.031,17 3.733,18 6.009,19 3.755,20 4.51,21 4.642,22 3.987,23 3.862,24 5.745,25 3.833,26 4.571,27 4.719,28 4.035,29 3.866,30 5.884,31 3.818,32 4.606,33 4.768,34 4.068,35 3.838,36 5.902,37 3.793,38 4.552,39 4.683,40 4.105,41 3.786,42 6.011,43 3.758,44 4.514,45 4.661,46 4.006,47 3.663,48 5.97,49 3.62,50 4.37,51 4.5,52 3.82,53 3.376,54 6.215,55 3.391,56 0.391,57 0.591,58 7.708,59 4.438,60 41.709,61 3.017,62 1.012,63 0.927,64 11.992,65 6.649,66 102.399,67 5.423,68 0.779,69 1.174,70 15.102,71 8.105,72 79.072,73 7.086,74 0.896,75 1.256,76 17.304,77 8.806,78 80.329,79 7.871,80 1.059,81 1.212,82 21.847,83 9.374,84 106.402,85 8.391,86 1.118,87 1.112,88 19.956,89 9.104,90 95.853,91 7.205,92 1.203,93 1.055,94 21.924,95 9.165,96 120.326,97 7.048,98 1.398,99 0.877,100 20.667,101 7.762,102 169.97,103 5.981,104 19,105 42,106 0.337,107 0.71,108 0.806,109 0.888,110 0.907,111 0.907,112 3.269,113 0.948,114 -3.77,115 -3.74,116 -3.55,117 42.1,124 1,125 1,131 1,133 1,135 6,136 2,137 4,151 2,153 2,154 5,156 2,157 4,160 4,161 1,162 4,163 7,167 4,171 2,174 5,175 2,178 5,181 2,183 6,186 5,187 1,189 1,190 3,192 1,194 3,195 1,197 4,198 2,200 1,201 6,202 1,204 1,205 2,206 4,208 5,209 1,211 1,212 4,213 1,215 2,217 2,220 4,221 2,223 1,224 5,226 2,228 4,231 1,232 1,236 4,241 2,246 793,247 16.48,248 16.48,249 16.48,250 16.48,251 16.48,252 14.6,253 21.238,254 9.467,255 16.774,256 13.88,257 13.88,258 13.88,259 13.88,260 13.88,261 10.899,262 33.039,263 4.553,264 14.405,265 3.358,266 1.261,267 0.724,268 0.263,269 0.158,270 0.158,271 3.962,273 1,274 1,275 1,276 437,277 3.317,279 50.007,280 158.092,283 78.582,284 80.773,285 1.12,286 44.856,287 1,288 1,289 1,290 1,291 0.4,293 1,294 1,295 0.77,296 57.667,297 200,298 4.541,299 3.571,300 6.694,301 4.225,302 3.251,303 4.157,304 1.474,305 10.934,306 3.165,307 4.365,308 3.272,309 6.435,310 4.044,311 3.059,312 3.923,313 1.392,314 10.029,315 3.01,316 4.298,317 3.184,318 6.357,319 3.896,320 2.93,321 3.726,322 0.532,323 9.735,324 2.827,325 3.895,326 2.966,327 6.033,328 3.569,329 2.616,330 3.26,331 0.4,332 8.633,333 2.474,334 3.416,335 2.414,336 5.172,337 2.953,338 2.006,339 2.696,341 6.183,342 1.896,343 3.217,344 2.269,345 5.069,346 2.916,347 1.952,348 2.393,350 5.772,351 1.87,352 2.863,353 1.98,354 4.464,355 2.412,356 1.475,357 2.02,359 4.339,360 1.378,361 2.749,362 1.726,363 3.962,364 2.38,365 1.414,366 1.807,368 3.153,369 1.348,370 2.525,371 1.604,372 3.606,373 2.117,374 1.138,375 1.506,377 2.827,378 1.111,379 2.206,380 1.237,381 3.494,382 2.065,383 1.073,384 1.185,386 2.44,387 1.062,388 1.732,389 0.907,390 3.452,391 1.453,392 0.532,393 0.612,395 1.512,396 0.484,397 1.191,398 0.357,399 3.041,400 0.856,401 -0.08,402 -0.091,404 -0.237,405 -0.074,406 1.098,407 0.328,408 2.77,409 0.757,410 -0.161,411 -0.192,413 -0.373,414 -0.143,415 0.793,416 -0.188,417 2.622,418 0.402,419 -0.562,420 -0.68,422 -1.608,423 -0.533,424 0.661,425 -0.272,426 2.499,427 0.328,428 -0.641,429 -0.754,431 -1.847,432 -0.62,433 11.686,434 0.467,435 0.853,436 0.034,437 33.5,438 1.34,439 16.5,440 0.66,441 17,442 0.68,443 18.529,444 0.741,445 27.314,446 0.719,447 26.535,448 1.061,449 6.708,450 0.268,451 5.197,452 0.208,453 0.11,454 0.086,455 0.342,458 1,459 0.985,460 1.036,461 0.693,462 1.448,463 0.871,464 0.826,465 0.633,466 0.929,467 0.828,468 0.9,469 0.395,470 0.883,471 0.942,472 1.106,473 0.933,474 0.887,475 0.839,476 1.033,477 0.886,478 1.058,479 0.969,480 0.963,481 0.875,482 1.099,483 0.996,484 1.008,485 0.933,486 0.945,487 1.02,488 0.928,489 0.988,490 0.992,491 1.038,492 1.142,493 1.024,494 1.014,495 1.162,496 1.04,497 1.052,498 1.144,499 1.251,500 1.013,501 0.976,502 1.101,503 1.215,504 1.261,505 1.098,506 1.045,507 6.5,508 0.005,509 2.889,510 1.944,511 1.786,512 1.194,513 0.873,514 0.675,515 0.307,516 0.097,517 6409,518 24465,519 2.095,520 34.2,522 8,523 2,525 3,529 1.689,530 1.935,531 2.975,532 1.084,533 1,534 1,535 71.806,536 1.89,537 3.987,538 4.524,539 4.985,540 5.09,541 5.09,542 2.245,543 4.214,544 4.617,545 3.139,546 941.633,547 8.032,548 11116.6,549 1,550 1,551 1,552 199.421,553 1.643,554 4.557,555 0.232,556 0.002,557 0.069,558 0.049,559 0.046,560 0.031,561 0.022,562 0.021,563 0.011,564 0.009,565 0.492,566 0.5,567 1,568 0.98,569 117.196,570 -0.25,571 -0.06,572 0.201,573 -0.222,574 -0.238,575 0.057,576 0.296,577 -0.011,578 -0.089,579 -0.008,580 0.355,581 -0.044,582 -0.161,583 -0.109,584 -0.147,585 -0.029,586 -0.121,587 -0.091,588 -0.056,589 -0.019,590 -0.092,591 -0.047,592 -0.062,593 -0.138,594 -0.081,595 -0.022,596 0.068,597 0.044,598 -0.111,599 0.079,600 0.01,601 -0.022,602 -0.011,603 -0.068,604 -0.031,605 -0.065,606 -0.088,607 -0.115,608 0.07,609 -0.036,610 -0.116,611 -0.015,612 0.35,613 -0.004,614 -0.049,615 -0.145,616 0.396,617 -0.086,618 5.583,619 6.115,620 0.76,621 18.749,622 1.046,623 1.124,624 2.544,625 6.471,626 0.702,627 3.367,628 3.761,629 4.007,630 4.344,631 4.615,632 4.804,633 5.017,634 5.231,635 5.278,636 5.308,637 5.167,638 0.692,639 365.27,640 3.367,641 4.949,642 5.808,643 6.725,644 7.606,645 8.527,646 9.419,647 10.341,648 11.24,649 12.162,650 2.6,655 1,662 6,666 6,667 12,671 1,674 2,675 1,676 38,677 14,678 2,679 28,680 41,681 16,682 12,683 6,684 6,685 2,686 4,687 7,694 1,697 1,698 14,699 2,701 2,704 1,706 1,708 1,709 1,710 1,711 1,712 1,713 13,714 8,715 3,716 9,717 1,719 1,721 0.5,722 6,726 1,727 1,731 1,732 3,735 1,736 1,745 2,751 2,753 2,758 1,759 25,762 2,763 1,764 1,765 3,767 1,771 1,772 15.8,773 2,775 1,776 1,777 2,778 12.917,779 6.576,780 5.181,781 1.974,782 1,783 2.627,784 1.346,785 1.002,786 4.064,787 10.229,788 3.611,789 4.248,790 4.754,791 5.341,792 5.907,793 6.211,794 6.632,795 7.068,796 7.385,797 7.654,798 0.667,799 40,800 9.883,801 4.897,802 8.272,803 16.953,804 14.361,805 2.772,806 69.306,809 120.854,810 104.476,811 18.011,813 123.448,814 14.96,815 3.143,816 104.476,817 241.159,818 32.971,820 6.65,821 140.597,822 51.096,823 50.736,824 38.502,825 94.169,827 117.711,828 122.487,829 138.408,830 3.143,831 132.671,832 42.263,833 81.185,835 6.65,836 85.593,837 33.387,839 132.671,840 141.459,841 104.476,842 3.143,843 3.143,844 117.711,845 38.143,846 66.334,847 18.011,848 138.408,849 117.711,850 156.419,851 107.62,852 0.6,853 0.325,854 0.182,855 0.103,856 23,857 10,858 0.073,859 3,860 2,861 1.211,862 3.568,863 223.029,864 0.211,865 19,866 114.096,870 16.578,871 6.128,872 3.295,874 156.419,875 9.278,879 1.653,880 92.274,881 381.75,882 36,885 11.346,887 1.419,889 0.336,890 -4.778,891 39.738,892 42.725,893 0.36,894 0.76,895 0.862,896 0.95,897 0.97,898 0.97,899 4.898,900 1.414,901 5.855,902 4.339,903 4.443,904 4.934,905 2.2,906 6.73,907 4.37,908 6.147,909 1.138,910 7.455,911 3.153,912 4.29,913 4.956,914 1.22,915 7.867,916 4.196,917 7.5,918 1.073,919 9.157,920 2.827,921 6.151,922 7.158,923 2.642,924 10.881,925 6.02,926 8.884,927 0.532,928 10.917,929 2.44,930 6.746,931 7.903,932 2.014,933 12.742,934 6.595,935 10.295,936 -0.08,937 12.71,938 1.512,939 8.152,940 9.656,941 3.264,942 15.326,943 7.974,944 11.723,945 -0.161,946 14.524,947 -0.237,948 9.059,949 10.718,950 2.762,951 17.466,952 8.859,953 13.166,954 -0.562,955 16.353,956 -0.373,957 10.298,958 12.287,959 3.943,960 19.903,961 10.074,962 3.251,963 -0.641,964 18.192,965 -1.608,966 11.339,967 13.503,968 3.515,969 22.161,970 11.092,971 3.059,972 10.934,973 20.038,974 -1.847,975 12.515,976 14.986,977 4.643,978 24.543,979 12.246,980 2.93,981 10.029,982 21.89,983 4.157,984 13.615,985 16.284,986 4.278,987 26.854,988 13.321,989 2.616,990 9.735,991 23.747,992 3.923,993 14.77,994 17.725,995 5.354,996 29.219,997 14.454,998 2.006,999 8.633,1000 25.607,1001 3.726,1002 15.896,1003 19.068,1004 5.047,1005 31.555,1006 15.556,1007 1.952,1008 6.183,1009 27.47,1010 3.26,1011 17.045,1012 20.488,1013 6.071,1014 33.916,1015 16.683,1016 1.475,1017 5.772,1018 29.335,1019 2.696,1020 18.184,1021 21.856,1022 5.819,1023 36.267,1024 17.798,1025 6137,1026 12125,1027 18.493,1028 26.682,1029 43.33,1030 44.234,1031 43.559,1032 42.922,1033 42.891,1034 54.568,1035 7.593,1036 131.116,1037 41.249,1038 5.417,1039 5.571,1040 6.379,1041 5.278,1042 5.251,1043 7.157,1044 2.865,1045 18.029,1046 5.165,1047 12.371,1048 1.548,1049 1.58,1050 1.556,1051 1.533,1052 1.532,1053 1.949,1054 0.271,1055 4.683,1056 1.473,1057 4.058,1058 4.075,1059 4.42,1060 3.981,1061 8.201,1062 3.976,1063 3.879,1064 3.897,1065 3.997,1066 3.809,1067 7.474,1068 3.805,1069 3.644,1070 3.626,1071 3.835,1072 3.753,1073 6.437,1074 3.464,1075 3.471,1076 3.474,1077 3.463,1078 3.356,1079 6.23,1080 3.296,1081 3.13,1082 3.169,1083 3.022,1084 2.939,1085 5.014,1086 2.958,1087 2.983,1088 3.036,1089 2.893,1090 2.827,1091 4.713,1092 2.824,1093 2.899,1094 2.957,1095 2.822,1096 2.733,1097 4.527,1098 2.735,1099 2.745,1100 2.804,1101 2.61,1102 2.6,1103 4.137,1104 2.593,1105 0.162,1106 0.128,1107 0.239,1108 0.151,1109 0.116,1110 4.541,1111 0.148,1112 3.571,1113 0.053,1114 6.694,1115 0.39,1116 4.225,1117 0.113,1118 3.251,1119 4.157,1120 1.474,1121 10.934,1122 3.165,1123 1.982,1124 1.963,1125 2.055,1126 2.078,1127 1.241,1128 2.074,1129 1.84,1130 1.821,1131 1.933,1132 1.926,1133 1.047,1134 1.93,1135 1.45,1136 1.451,1137 1.543,1138 1.579,1139 0.703,1140 1.626,1141 1.286,1142 1.288,1143 1.439,1144 1.52,1145 0.579,1146 1.488,1147 1.162,1148 1.131,1149 1.184,1150 1.413,1151 0.345,1152 1.478,1153 0.903,1154 0.855,1155 1.12,1156 1.124,1157 0.165,1158 1.139,1159 0.86,1160 0.804,1161 0.986,1162 1.068,1163 0.154,1164 1.08,1165 0.773,1166 0.731,1167 0.891,1168 0.961,1169 0.07,1170 0.962,1171 4.043,1173 5.416,1174 2.398,1175 6.971,1176 4.595,1177 8.613,1178 6.581,1179 10.306,1182 14.115,1184 18.419,1185 0.051,1186 3.052,1187 15.496,1189 -1.082,1192 26.305,1193 71.806,1194 151.505,1195 171.911,1196 189.421,1197 193.421,1198 193.421,1199 49.386,1200 7.601,1201 97.25,1202 107.06,1203 23,1204 12.673,1205 3.907,1206 3.17,1207 35.538,1208 79,1209 69,1210 0.23,1211 160.081,1212 285.28,1213 382.359,1214 19009,1215 2.6,1216 17.604,1217 0.704,1218 0.543,1219 16.984,1220 13.573,1221 11.905,1222 0.425,1223 0.316,1224 7.274,1225 10.509,1226 7.081,1227 5.779,1228 12.421,1229 8.848,1230 12.028,1231 0.286,1232 0.159,1233 12.883,1234 6.686,1235 9.077,1236 0.168,1237 0.081,1238 9.047,1239 4.355,1240 8.153,1241 0.107,1242 0.043,1243 8.259,1244 3.271,1245 6.636,1246 0.066,1247 0.023,1248 6.923,1249 2.316,1250 0.345,1251 85.122,1252 0.233,1253 23.527,1254 0.687,1255 140,1256 563.298,1257 193.448,1258 511.046,1259 678.72,1260 472,1261 166,1262 461.192,1263 227.124,1264 487.318,1265 725.85,1266 456,1267 5.767} {0 CHEMBL1097342,1 1.697,2 15.375,3 4.357,4 18.985,5 178.542,6 7.61,7 0.346,8 4.588,9 4.698,10 4.246,11 4.114,12 5.669,13 4.083,14 5.179,15 5.348,16 4.6,17 4.531,18 6.36,19 4.482,20 5.485,21 5.68,22 4.716,23 4.729,24 6.612,25 4.646,26 5.652,27 5.872,28 4.764,29 4.74,30 6.845,31 4.669,32 5.616,33 5.814,34 4.754,35 4.751,36 6.86,37 4.693,38 5.686,39 5.9,40 4.747,41 4.814,42 6.93,43 4.732,44 5.696,45 5.917,46 4.767,47 4.851,48 6.861,49 4.759,50 5.716,51 5.938,52 4.804,53 4.837,54 6.927,55 4.748,56 0.182,57 1.439,58 21.526,59 9.079,60 33.51,61 11.087,62 0.758,63 2.344,64 39.259,65 15.029,66 91.365,67 19.107,68 0.933,69 3.009,70 60.499,71 21.259,72 123.99,73 26.4,74 1.584,75 3.198,76 74.309,77 22.93,78 260.71,79 29.313,80 1.606,81 3.101,82 70.63,83 21.988,84 244.824,85 27.478,86 1.856,87 3.283,88 72.106,89 23.251,90 291.167,91 30.859,92 1.534,93 3.434,94 73.09,95 25.341,96 246.935,97 33.077,98 1.52,99 3.564,100 73.601,101 25.138,102 258.731,103 33.055,104 103,105 75,106 0.252,107 0.563,108 0.778,109 0.877,110 0.883,111 0.897,112 3.895,113 1.007,114 -3.97,115 -3.92,116 -3.72,117 38.9,118 2,119 3,122 1,123 5,125 4,135 10,136 5,137 3,145 2,154 16,156 4,157 5,160 1,162 2,163 19,166 1,167 13,169 1,170 2,171 4,174 9,178 16,181 1,182 1,183 6,186 6,189 1,190 15,192 4,194 6,197 7,200 2,201 5,204 5,206 8,208 10,211 1,212 7,215 2,217 9,220 12,224 11,228 13,231 9,235 3,236 11,239 3,241 6,243 10,246 6048,247 31.537,248 31.537,249 31.537,250 31.537,251 31.537,252 28.812,253 40.222,254 18.322,255 32.241,256 25.609,257 25.609,258 25.609,259 25.609,260 25.609,261 21.278,262 46.966,263 8.616,264 26.7,265 4.795,266 2.698,267 1.247,268 0.581,269 0.536,270 0.447,271 4.586,275 1,276 1575,277 5.292,279 155.048,280 738.471,285 2.099,286 94.188,288 0.75,289 0.5,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.71,296 107,297 738,298 4.935,299 4.726,300 7.669,301 4.442,302 3.519,303 4.762,304 1.2,305 13.636,306 3.224,307 4.394,308 3.74,309 6.628,310 4.1,311 3.122,312 3.998,313 1.058,314 10.523,315 3.061,316 4.188,317 3.581,318 6.428,319 3.971,320 3.008,321 3.813,322 0.86,323 9.851,324 2.892,325 4.092,326 3.2,327 6.1,328 3.799,329 2.816,330 3.415,331 0.4,332 8.903,333 2.756,334 3.941,335 3.1,336 5.726,337 3.702,338 2.741,339 3.356,340 0.4,341 7.986,342 2.625,343 3.85,344 2.836,345 5.681,346 3.463,347 2.479,348 3.014,349 0.293,350 7.552,351 2.442,352 3.666,353 2.688,354 5.624,355 3.406,356 2.408,357 2.86,359 7.128,360 2.393,361 3.412,362 2.595,363 5.236,364 3.175,365 2.208,366 2.576,368 6.433,369 2.132,370 3.372,371 2.592,372 4.985,373 3.078,374 2.08,375 2.571,377 5.771,378 2.058,379 3.232,380 2.525,381 4.947,382 2.867,383 1.914,384 2.481,386 5.517,387 1.81,388 3.153,389 2.346,390 4.764,391 2.787,392 1.879,393 2.294,395 5.024,396 1.678,397 2.981,398 2.045,399 4.618,400 2.644,401 1.68,402 2.09,404 4.963,405 1.613,406 2.803,407 1.97,408 4.503,409 2.48,410 1.539,411 1.827,413 4.243,414 1.446,415 2.68,416 1.864,417 4.209,418 2.374,419 1.4,420 1.711,422 3.68,423 1.357,424 2.606,425 1.581,426 4.031,427 2.248,428 1.262,429 1.609,431 3.15,432 1.235,433 22.505,434 0.469,435 1.495,436 0.031,437 54.5,438 1.135,439 24,440 0.5,441 30.5,442 0.635,443 57.427,444 1.196,445 54.895,446 0.61,447 57.665,448 1.201,449 10.715,450 0.223,451 12.134,452 0.253,453 0.166,454 0.037,455 0.347,458 2,459 0.621,460 1.234,461 0.808,462 1.244,463 0.604,464 1.034,465 0.743,466 1.02,467 0.833,468 0.943,469 0.562,470 0.941,471 0.887,472 1.105,473 1.172,474 1.234,475 0.829,476 1.124,477 1.099,478 0.876,479 1.007,480 0.966,481 1.163,482 0.913,483 1.192,484 0.982,485 1.172,486 1.075,487 1.222,488 1.027,489 0.958,490 0.827,491 0.997,492 0.936,493 1.04,494 1.018,495 0.863,496 0.989,497 0.947,498 1.014,499 0.904,500 1.029,501 0.896,502 1.076,503 0.9,504 1.062,505 0.95,506 1.082,507 12.5,508 0.608,509 6.222,510 4.75,511 3.152,512 2.136,513 1.395,514 1.084,515 0.971,516 0.695,517 40133,518 115912,519 2.01,520 46.7,521 6,522 27,525 3,527 6,529 1.849,530 1.84,531 3.852,532 0.706,535 152.755,536 1.697,537 3.794,538 5.245,539 5.911,540 5.956,541 6.044,542 3.311,543 5.153,544 5.557,545 4.052,546 4570.3,547 9.913,548 89451.1,552 584.267,553 1.638,554 5.488,555 0.24,556 0.008,557 0.083,558 0.059,559 0.038,560 0.025,561 0.017,562 0.013,563 0.012,564 0.008,565 0.504,566 0.33,567 0.5,568 0.821,569 283.672,570 -0.002,571 -0.11,572 0.136,573 -0.045,574 -0.068,575 0.022,576 0.043,577 0.006,578 0.07,579 0.085,580 0.092,581 0.053,582 -0.042,583 -0.064,584 -0.107,585 -0.135,586 -0.018,587 -0.116,588 -0.059,589 -0.012,590 0.036,591 0.023,592 -0.056,593 0.057,594 -0.1,595 -0.024,596 -0.135,597 -0.068,598 -0.086,599 -0.067,600 0.009,601 0.054,602 -0.077,603 -0.002,604 -0.005,605 -0.054,606 0.027,607 -0.042,608 -0.016,609 -0.034,610 0.003,611 -0.03,612 0.035,613 -0.101,614 0.017,615 -0.104,616 0.012,617 -0.093,618 4.81,619 6.78,620 0.604,621 62.583,622 1.013,623 1.135,624 2.737,625 7.491,626 0.65,627 3.97,628 4.331,629 4.585,630 4.836,631 5.024,632 5.088,633 5.193,634 5.273,635 5.403,636 5.497,637 9.097,638 0.621,639 684.88,640 3.97,641 5.541,642 6.395,643 7.288,644 8.16,645 9.054,646 9.932,647 10.827,648 11.709,649 12.603,650 4.4,652 1,653 1,657 2,662 10,666 8,667 18,668 1,669 1,675 2,676 90,677 22,678 3,679 52,680 94,681 35,682 18,683 8,684 10,685 2,686 5,687 5,690 2,694 4,697 7,698 20,699 15,701 4,703 1,704 4,708 2,712 2,713 42,714 12,715 3,716 13,717 1,719 4,721 1,722 6,724 1,729 1,731 1,732 4,748 1,751 1,752 1,753 5,755 1,756 3,758 2,759 48,761 1,762 1,763 8,764 2,765 1,767 4,768 2,771 2,772 6.7,773 1,775 4,776 1,778 26.083,779 16.552,780 10.417,781 5.317,783 2.169,784 1.255,785 0.947,786 11.55,787 10.658,788 4.19,789 4.766,790 5.235,791 5.703,792 6.153,793 6.254,794 6.456,795 6.487,796 6.715,797 6.95,798 1,799 80,800 18.523,801 8.623,802 8.071,803 33.82,804 28.652,805 2.571,806 123.417,809 459.073,810 194.852,811 40.664,813 148.286,814 29.92,815 5.807,816 189.045,817 607.359,818 70.585,819 28.533,820 41.754,821 161.264,822 115.012,823 37.239,824 29.92,825 459.073,827 459.073,828 229.709,829 178.206,830 5.807,831 418.367,832 165.229,833 53.683,835 78.934,836 150.775,837 5.807,839 488.993,840 188.95,841 194.852,843 5.807,844 459.073,845 65.749,846 127.939,847 36.022,848 178.206,849 459.073,850 218.871,851 194.852,852 0.59,853 0.345,854 0.186,855 0.1,856 34,857 18,858 0.117,859 11,861 1,862 5.245,863 524.801,865 29,866 258.078,869 1,870 35.905,871 15.441,872 8.622,874 218.871,875 14.326,879 0.646,880 78.705,881 872.796,882 65,884 -3.893,885 54.285,889 -0.83,891 91.145,892 102.153,893 0.261,894 0.584,895 0.808,896 0.911,897 0.917,898 0.931,899 5.47,900 2.208,901 6.422,902 7.128,903 5.017,904 5.455,905 2.109,906 7.279,907 4.94,908 6.687,909 2.08,910 8.021,911 6.433,912 4.796,913 5.485,914 0.325,915 8.405,916 4.658,917 8.02,918 1.914,919 9.728,920 5.771,921 6.688,922 7.65,923 2.109,924 11.495,925 6.527,926 9.39,927 1.879,928 11.504,929 5.517,930 7.259,931 8.486,932 0.653,933 13.498,934 7.019,935 10.796,936 1.68,937 13.327,938 5.024,939 8.684,940 10.223,941 2.233,942 16.195,943 8.413,944 12.229,945 1.539,946 15.186,947 4.963,948 9.607,949 11.425,950 1.001,951 18.56,952 9.249,953 13.685,954 1.4,955 17.074,956 4.243,957 10.871,958 13.02,959 2.405,960 21.164,961 10.466,962 3.519,963 1.262,964 18.987,965 3.68,966 11.954,967 14.397,968 1.37,969 23.673,970 11.458,971 3.122,972 13.636,973 20.919,974 3.15,975 13.171,976 15.947,977 2.609,978 26.264,979 12.612,980 3.008,981 10.523,982 22.868,983 4.762,984 14.327,985 17.409,986 1.754,987 28.831,988 13.677,989 2.816,990 9.851,991 24.832,992 3.998,993 15.536,994 18.948,995 2.839,996 31.426,997 14.81,998 2.741,999 8.903,1000 26.807,1001 3.813,1002 16.729,1003 20.454,1004 2.143,1005 34.017,1006 15.911,1007 2.479,1008 7.986,1009 28.793,1010 3.415,1011 17.943,1012 21.994,1013 3.09,1014 36.618,1015 17.041,1016 2.408,1017 7.552,1018 30.787,1019 3.356,1020 19.156,1021 23.522,1022 2.535,1023 39.22,1024 18.161,1025 38385,1026 65508,1027 33.52,1028 58.5,1029 78.93,1030 82.543,1031 82.022,1032 78.782,1033 78.664,1034 96.86,1035 8.422,1036 233.09,1037 75.525,1038 5.935,1039 6.726,1040 7.441,1041 5.51,1042 5.519,1043 7.762,1044 2.293,1045 21.673,1046 5.224,1047 30.753,1048 1.518,1049 1.587,1050 1.577,1051 1.515,1052 1.513,1053 1.863,1054 0.162,1055 4.482,1056 1.452,1057 4.117,1058 4.118,1059 4.743,1060 4.087,1061 8.211,1062 4.01,1063 4.009,1064 4.027,1065 3.974,1066 3.931,1067 8.191,1068 3.927,1069 3.935,1070 3.964,1071 3.891,1072 3.857,1073 7.715,1074 3.858,1075 3.839,1076 3.886,1077 3.747,1078 3.694,1079 7.431,1080 3.695,1081 3.81,1082 3.861,1083 3.729,1084 3.681,1085 7.425,1086 3.674,1087 3.64,1088 3.663,1089 3.666,1090 3.524,1091 6.999,1092 3.486,1093 3.483,1094 3.503,1095 3.432,1096 3.31,1097 6.448,1098 3.294,1099 3.379,1100 3.433,1101 3.235,1102 3.115,1103 4.714,1104 3.129,1105 0.095,1106 0.091,1107 0.147,1108 0.085,1109 0.068,1110 4.935,1111 0.092,1112 4.726,1113 0.023,1114 7.669,1115 0.262,1116 4.442,1117 0.062,1118 3.519,1119 4.762,1120 1.2,1121 13.636,1122 3.224,1123 1.987,1124 1.99,1125 2.055,1126 2.09,1127 1.384,1128 2.113,1129 1.953,1130 1.933,1131 2.03,1132 2.045,1133 1.256,1134 2.05,1135 1.91,1136 1.886,1137 2.016,1138 2.006,1139 1.244,1140 2.01,1141 1.779,1142 1.73,1143 1.939,1144 1.945,1145 1.175,1146 1.951,1147 1.639,1148 1.585,1149 1.883,1150 1.841,1151 1.143,1152 1.848,1153 1.554,1154 1.527,1155 1.756,1156 1.762,1157 1.046,1158 1.766,1159 1.518,1160 1.458,1161 1.714,1162 1.728,1163 0.961,1164 1.74,1165 1.365,1166 1.35,1167 1.572,1168 1.55,1169 0.768,1170 1.591,1171 4.654,1173 6.004,1174 2.398,1175 7.536,1176 4.595,1177 9.153,1178 6.581,1179 10.815,1180 5.146,1182 28.366,1184 11.689,1185 2.767,1186 5.964,1187 5.29,1189 -3.364,1190 3.025,1192 55.864,1193 152.755,1194 341.437,1195 472.028,1196 532.002,1197 536.002,1198 544.002,1199 189.168,1200 8.489,1201 128.28,1202 136.66,1203 29,1204 13.131,1205 4.524,1206 3.807,1207 84.235,1208 250,1209 303,1210 0.152,1211 342.016,1212 617.91,1213 826.279,1214 64565,1215 2.2,1216 34.587,1217 0.721,1218 0.585,1219 33.096,1220 28.103,1221 22.849,1222 0.439,1223 0.336,1224 15.873,1225 21.048,1226 15.346,1227 12.658,1228 22.85,1229 17.452,1230 21.6,1231 0.288,1232 0.194,1233 21.64,1234 14.568,1235 17.446,1236 0.18,1237 0.111,1238 18.209,1239 10.759,1240 14.58,1241 0.117,1242 0.065,1243 14.818,1244 8.138,1245 11.234,1246 0.074,1247 0.037,1248 12.118,1249 5.552,1250 0.239,1251 152.602,1252 0.173,1253 41.161,1254 0.418,1255 254,1256 879.866,1257 323.54,1258 805.267,1259 1052.18,1260 742,1261 299,1262 701.522,1263 375.847,1264 737.622,1265 1077.53,1266 688,1267 7.066} {0 CHEMBL1169538,1 1.521,2 12.935,3 3.051,4 9.31,5 172.447,6 6.655,7 0.224,8 4.629,9 4.765,10 4.074,11 4.087,12 5.655,13 4.055,14 5.229,15 5.424,16 4.453,17 4.517,18 6.233,19 4.45,20 5.578,21 5.809,22 4.481,23 4.691,24 6.545,25 4.582,26 5.697,27 5.961,28 4.543,29 4.683,30 6.736,31 4.583,32 5.649,33 5.885,34 4.669,35 4.677,36 6.882,37 4.619,38 5.693,39 5.92,40 4.737,41 4.792,42 6.794,43 4.731,44 5.822,45 6.047,46 4.826,47 4.902,48 6.958,49 4.835,50 5.911,51 6.148,52 4.837,53 4.973,54 7.045,55 4.886,56 0.057,57 1.38,58 22.691,59 8.791,60 18.753,61 12.626,62 0.592,63 2.201,64 43.007,65 15.015,66 70.823,67 22.196,68 0.859,69 2.693,70 62.585,71 20.014,72 117.448,73 29.697,74 1.076,75 2.779,76 71.964,77 20.26,78 179.489,79 31.407,80 1.656,81 2.771,82 69.46,83 18.308,84 262.018,85 28.391,86 1.091,87 3.016,88 71.168,89 20.652,90 169.285,91 31.15,92 1.221,93 3.354,94 81.145,95 23.67,96 210.685,97 35.428,98 1.822,99 3.64,100 89.386,101 25.446,102 283.508,103 38.621,104 86,105 68,106 0.225,107 0.535,108 0.755,109 0.835,110 0.854,111 0.854,112 3.853,113 1.007,114 -2.6,115 -2.62,116 -2.55,117 35.4,118 3,119 9,120 2,122 1,123 1,125 4,127 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 15,156 2,157 7,160 5,162 4,163 19,167 3,169 2,170 3,171 8,174 11,178 8,181 3,183 10,186 4,189 4,190 8,192 7,193 1,194 10,197 5,200 1,201 12,204 2,205 3,206 10,208 10,211 2,212 20,215 2,217 9,220 11,223 2,224 16,226 6,227 1,228 7,231 12,235 2,236 12,240 2,241 9,243 14,246 5278,247 30.084,248 30.084,249 30.084,250 30.084,251 30.084,252 28.191,253 30.603,254 17.868,255 30.572,256 24.196,257 24.196,258 24.196,259 24.196,260 24.196,261 21.244,262 35.284,263 8.573,264 24.926,265 5.064,266 2.965,267 1.479,268 0.941,269 0.813,270 0.813,271 4.536,276 1245,277 6.083,279 340.986,280 403.61,285 1.903,286 71.214,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 101,297 595,298 4.24,299 3.864,300 6.687,301 4.128,302 3.149,303 3.509,304 2.189,305 10.632,306 3.077,307 4.176,308 3.843,309 6.448,310 4.074,311 3.135,312 3.472,313 1.983,314 10.161,315 2.934,316 4.099,317 3.751,318 6.198,319 3.918,320 2.935,321 3.365,322 1.94,323 9.225,324 2.876,325 3.985,326 3.623,327 6.024,328 3.754,329 2.769,330 3.235,331 1.923,332 8.625,333 2.725,334 3.849,335 3.167,336 5.886,337 3.63,338 2.651,339 3.153,340 0.555,341 8.132,342 2.6,343 3.778,344 2.967,345 5.352,346 3.414,347 2.438,348 2.971,349 0.424,350 6.856,351 2.394,352 3.632,353 2.749,354 5.311,355 3.385,356 2.396,357 2.689,358 0.3,359 6.808,360 2.344,361 3.421,362 2.723,363 5.286,364 3.287,365 2.32,366 2.535,367 0.114,368 6.689,369 2.232,370 3.371,371 2.474,372 4.93,373 3.042,374 2.056,375 2.382,377 5.631,378 1.993,379 2.931,380 2.157,381 4.873,382 2.703,383 1.747,384 2.087,386 5.167,387 1.665,388 2.786,389 2.067,390 4.236,391 2.518,392 1.518,393 1.813,395 3.734,396 1.514,397 2.656,398 1.965,399 3.938,400 2.418,401 1.428,402 1.667,404 3.144,405 1.41,406 2.5,407 1.89,408 3.818,409 2.284,410 1.308,411 1.5,413 3.061,414 1.267,415 2.479,416 1.491,417 3.656,418 2.184,419 1.166,420 1.439,422 2.817,423 1.177,424 2.47,425 1.435,426 3.552,427 2.11,428 1.149,429 1.398,431 2.737,432 1.095,433 21.4,434 0.465,435 1.367,436 0.03,437 45.5,438 0.989,439 16,440 0.348,441 29.5,442 0.641,443 62.949,444 1.368,445 54.2,446 0.565,447 45.158,448 0.982,449 8.248,450 0.179,451 13.643,452 0.297,453 0.171,454 0.023,455 0.299,459 0.782,460 1.527,461 0.914,462 1.294,463 0.625,464 1.143,465 0.612,466 1.236,467 0.918,468 1.18,469 0.522,470 1.108,471 1.068,472 1.131,473 1.122,474 1.174,475 0.954,476 1.163,477 1.169,478 1.022,479 0.934,480 0.945,481 1.285,482 0.906,483 1.245,484 0.942,485 0.985,486 0.862,487 1.332,488 0.872,489 1.275,490 1.034,491 1.005,492 0.982,493 1.336,494 0.948,495 1.358,496 1.091,497 1.043,498 1.031,499 1.446,500 0.99,501 1.29,502 0.953,503 1.096,504 0.926,505 1.381,506 0.969,507 11,508 0.523,509 4.667,510 3.542,511 2.462,512 1.674,513 1.607,514 1.191,515 0.949,516 0.787,517 33847,518 80907,519 1.988,520 52.1,521 11,522 14,523 1,524 1,525 5,526 3,527 15,529 1.843,530 1.834,531 3.632,532 2.066,535 145.97,536 1.521,537 3.62,538 5.106,539 5.644,540 5.772,541 5.772,542 3.024,543 5.012,544 5.498,545 3.873,546 4008.67,547 9.816,548 77156.2,552 632.156,553 1.596,554 5.433,555 0.224,556 0.006,557 0.069,558 0.054,559 0.036,560 0.021,561 0.018,562 0.013,563 0.01,564 0.009,565 0.46,566 0.17,567 0.63,568 1.061,569 267.517,570 -0.057,571 -0.147,572 0.033,573 -0.034,574 -0.04,575 0.008,576 0.189,577 -0.022,578 0.044,579 -0.05,580 0.1,581 -0.033,582 -0.049,583 -0.072,584 -0.131,585 -0.134,586 -0.063,587 -0.147,588 -0.029,589 -0.073,590 0.08,591 0.008,592 -0.029,593 0.056,594 0.119,595 0.08,596 0.072,597 0.078,598 0.131,599 0.068,600 -0.055,601 0.027,602 0.025,603 0.015,604 -0.051,605 0.033,606 -0.085,607 -0.056,608 -0.01,609 -0.028,610 -0.051,611 -0.007,612 -0.037,613 0.072,614 -0.062,615 0.05,616 -0.025,617 -0.003,618 2.418,619 7.031,620 0.478,621 54.881,622 1,623 1.139,624 1.37,625 1.877,626 0.62,627 3.912,628 4.234,629 4.407,630 4.625,631 4.727,632 4.771,633 4.905,634 5.011,635 5.088,636 5.13,637 8.494,638 0.583,639 638.9,640 3.912,641 5.46,642 6.279,643 7.148,644 7.983,645 8.854,646 9.699,647 10.571,648 11.422,649 12.295,650 6.3,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 96,677 15,678 1,679 49,680 99,681 34,682 9,683 1,684 5,686 4,687 4,690 3,694 6,695 2,697 13,698 13,699 21,700 3,701 4,704 4,708 4,713 50,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 2,740 2,741 1,750 1,751 1,753 4,756 4,759 46,762 1,763 10,764 3,765 1,767 6,768 1,769 1,772 6.3,773 1,775 4,777 1,778 25.083,779 17.517,780 10.042,781 5.971,783 1.024,784 1.134,785 0.902,786 13.081,787 8.668,788 4.086,789 4.53,790 4.845,791 5.205,792 5.39,793 5.373,794 5.616,795 5.826,796 5.948,797 6.027,798 1,799 65,800 17.442,801 7.655,802 7.864,803 32.95,804 27.506,805 2.364,806 108.75,809 529.7,810 151.655,811 90.728,813 154.263,816 151.655,817 683.963,818 90.728,819 34.872,820 82.073,821 99.112,822 151.869,823 33.728,824 18.534,825 506.157,827 529.7,828 242.382,829 154.263,831 353.133,832 288.146,833 42.683,835 136.71,836 88.887,837 16.786,839 529.7,840 244.991,841 151.655,844 529.7,845 51.735,846 103.044,847 70.818,848 171.048,849 529.7,850 244.991,851 151.655,852 0.584,853 0.318,854 0.167,855 0.084,856 28,857 15,858 0.152,859 15,861 1,862 5.132,863 477.097,865 22,866 241.329,870 35.911,871 16.756,872 11.087,874 228.205,875 12.389,876 4.26,877 2.879,879 1.367,880 113.501,881 926.345,882 58.5,885 53.477,889 -1.944,891 96.014,892 109.381,893 0.231,894 0.55,895 0.775,896 0.857,897 0.877,898 0.877,899 5.355,900 2.32,901 6.286,902 6.808,903 4.92,904 5.218,905 3.381,906 7.077,907 4.863,908 6.518,909 2.056,910 7.841,911 6.689,912 4.635,913 4.956,914 2.895,915 8.057,916 4.552,917 7.798,918 1.747,919 9.498,920 5.631,921 6.535,922 7.121,923 4.505,924 11.056,925 6.416,926 9.102,927 1.518,928 11.214,929 5.167,930 7.031,931 7.601,932 4.617,933 12.809,934 6.877,935 10.435,936 1.428,937 12.968,938 3.734,939 8.438,940 9.286,941 5.797,942 15.367,943 8.253,944 11.786,945 1.308,946 14.746,947 3.144,948 9.27,949 10.089,950 6.175,951 17.432,952 9.045,953 13.15,954 1.166,955 16.541,956 3.061,957 10.493,958 11.579,959 7.16,960 19.843,961 10.238,962 3.149,963 1.149,964 18.35,965 2.817,966 11.478,967 12.541,968 7.684,969 22.048,970 11.18,971 3.135,972 10.632,973 20.169,974 2.737,975 12.632,976 13.937,977 8.566,978 24.406,979 12.302,980 2.935,981 10.161,982 21.997,983 3.509,984 13.688,985 14.987,986 9.177,987 26.676,988 13.316,989 2.769,990 9.225,991 23.831,992 3.472,993 14.818,994 16.331,995 10.003,996 29.018,997 14.411,998 2.651,999 8.625,1000 25.672,1001 3.365,1002 15.909,1003 17.436,1004 10.668,1005 31.321,1006 15.461,1007 2.438,1008 8.132,1009 27.517,1010 3.235,1011 17.033,1012 18.749,1013 11.464,1014 33.659,1015 16.549,1016 2.396,1017 6.856,1018 29.367,1019 3.153,1020 18.142,1021 19.889,1022 12.162,1023 35.98,1024 17.618,1025 32914,1026 51135,1027 31.611,1028 59.512,1029 73.877,1030 76.186,1031 74.409,1032 72.57,1033 72.599,1034 84.382,1035 18.86,1036 205.747,1037 70.639,1038 5.24,1039 5.864,1040 6.489,1041 5.202,1042 5.149,1043 6.509,1044 3.892,1045 18,1046 5.077,1047 28.295,1048 1.508,1049 1.555,1050 1.519,1051 1.481,1052 1.482,1053 1.722,1054 0.385,1055 4.199,1056 1.442,1057 4.014,1058 4.063,1059 3.932,1060 3.892,1061 7.44,1062 3.89,1063 3.922,1064 3.968,1065 3.84,1066 3.828,1067 7.429,1068 3.824,1069 3.902,1070 3.952,1071 3.831,1072 3.733,1073 7.426,1074 3.749,1075 3.847,1076 3.902,1077 3.723,1078 3.706,1079 7.423,1080 3.707,1081 3.754,1082 3.794,1083 3.671,1084 3.567,1085 6.448,1086 3.576,1087 3.691,1088 3.745,1089 3.601,1090 3.483,1091 4.988,1092 3.506,1093 3.586,1094 3.643,1095 3.479,1096 3.396,1097 4.753,1098 3.407,1099 3.441,1100 3.502,1101 3.315,1102 3.25,1103 4.567,1104 3.257,1105 0.087,1106 0.079,1107 0.136,1108 0.084,1109 0.064,1110 4.24,1111 0.072,1112 3.864,1113 0.045,1114 6.687,1115 0.217,1116 4.128,1117 0.063,1118 3.149,1119 3.509,1120 2.189,1121 10.632,1122 3.077,1123 1.926,1124 1.896,1125 2.126,1126 2.059,1127 1.536,1128 2.082,1129 1.914,1130 1.864,1131 2.056,1132 2.026,1133 1.303,1134 2.035,1135 1.749,1136 1.705,1137 1.947,1138 1.937,1139 1.241,1140 1.934,1141 1.701,1142 1.655,1143 1.922,1144 1.905,1145 1.141,1146 1.914,1147 1.677,1148 1.633,1149 1.857,1150 1.853,1151 1.118,1152 1.857,1153 1.534,1154 1.486,1155 1.771,1156 1.782,1157 1.073,1158 1.782,1159 1.516,1160 1.437,1161 1.71,1162 1.741,1163 0.892,1164 1.733,1165 1.419,1166 1.36,1167 1.659,1168 1.693,1169 0.886,1170 1.67,1171 4.595,1173 5.916,1174 3.045,1175 7.396,1176 5.283,1177 8.945,1178 7.248,1179 10.532,1180 6.922,1184 11.513,1185 7.211,1186 8.551,1187 5.428,1189 -4.138,1190 1.61,1191 -0.774,1192 56.007,1193 145.97,1194 347.558,1195 490.185,1196 541.853,1197 554.117,1198 554.117,1199 181.614,1200 7.644,1201 165.75,1202 165.75,1203 22,1204 12.84,1205 4,1206 3.392,1207 90.383,1208 227,1209 218,1210 0.181,1211 345.733,1212 620.5,1213 835.349,1214 19671,1216 33.269,1217 0.723,1218 0.597,1219 33.269,1220 27.46,1221 21.891,1222 0.447,1223 0.336,1224 16.219,1225 20.997,1226 15.753,1227 13.099,1228 21.891,1229 16.442,1230 20.614,1231 0.303,1232 0.202,1233 20.614,1234 13.715,1235 15.404,1236 0.19,1237 0.109,1238 15.404,1239 8.824,1240 12.503,1241 0.124,1242 0.063,1243 12.503,1244 6.398,1245 8.886,1246 0.079,1247 0.038,1248 8.886,1249 4.275,1250 0.281,1251 137.832,1252 0.178,1253 39.632,1254 0.505,1255 234,1256 675.449,1257 261.571,1258 638.721,1259 840.22,1260 592,1261 266,1262 589.626,1263 291.86,1264 591.404,1265 852.99,1266 553,1267 5} {0 CHEMBL165706,1 1.482,2 18.948,3 5.938,4 35.255,5 221.383,6 6.69,7 0.355,8 4.837,9 4.971,10 4.289,11 4.334,12 5.87,13 4.294,14 5.416,15 5.608,16 4.631,17 4.747,18 6.392,19 4.67,20 5.766,21 6.003,22 4.732,23 4.924,24 6.729,25 4.815,26 5.881,27 6.133,28 4.773,29 4.95,30 6.858,31 4.847,32 5.93,33 6.176,34 4.89,35 4.97,36 7.108,37 4.889,38 5.963,39 6.194,40 4.913,41 5.041,42 7.056,43 4.957,44 6.056,45 6.3,46 4.958,47 5.142,48 7.078,49 5.043,50 6.146,51 6.396,52 5.019,53 5.23,54 7.208,55 5.114,56 0.093,57 1.707,58 27.557,59 11.17,60 22.087,61 15.735,62 0.492,63 2.734,64 50.979,65 18.989,66 68.139,67 27.473,68 1.059,69 3.442,70 74.845,71 25.206,72 141.189,73 37.031,74 0.947,75 3.667,76 85.04,77 26.327,78 151.794,79 39.398,80 1.796,81 3.767,82 90.971,83 26.453,84 304.538,85 39.604,86 1.641,87 3.955,88 93.522,89 28.301,90 238.71,91 41.228,92 1.338,93 4.365,94 101.762,95 31.603,96 220.909,97 46.65,98 1.765,99 4.769,100 111.207,101 35.415,102 302.898,103 52.555,104 87,105 83,106 0.209,107 0.511,108 0.733,109 0.849,110 0.893,111 0.898,112 4.08,113 1.009,114 -3.28,115 -3.27,116 -3.14,117 37.8,118 4,119 9,120 4,123 2,125 4,135 10,136 2,137 1,138 1,139 2,141 1,145 4,147 1,154 25,157 6,160 5,162 5,163 26,166 1,167 8,169 4,170 3,171 12,174 18,178 10,181 1,183 11,186 9,189 4,190 11,192 5,193 2,194 13,197 11,200 2,201 12,204 4,205 3,206 15,208 17,211 1,212 14,215 1,217 12,220 21,223 2,224 16,226 5,227 1,228 13,231 21,236 20,239 3,240 3,241 15,243 20,246 10426,247 38.973,248 38.973,249 38.973,250 38.973,251 38.973,252 35.769,253 30.864,254 23.428,255 39.431,256 30.527,257 30.527,258 30.527,259 30.527,260 30.527,261 25.654,262 35.08,263 11.06,264 31.222,265 5.412,266 3.262,267 1.685,268 0.857,269 0.546,270 0.513,271 4.773,276 2336,277 6.856,279 219.02,280 958.731,284 365.673,285 2.779,286 80.678,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 125.5,297 1099,298 4.493,299 3.824,300 6.506,301 4.037,302 3.047,303 4.43,304 2.04,305 10.196,306 3.013,307 4.156,308 3.783,309 6.466,310 4.015,311 3.032,312 3.505,313 1.971,314 9.934,315 2.981,316 4.085,317 3.649,318 6.309,319 3.92,320 2.94,321 3.451,322 1.945,323 9.403,324 2.877,325 3.971,326 3.566,327 6.159,328 3.829,329 2.835,330 3.288,331 1.892,332 9.039,333 2.813,334 3.882,335 3.142,336 5.944,337 3.68,338 2.694,339 3.151,340 0.893,341 8.385,342 2.65,343 3.85,344 2.959,345 5.348,346 3.478,347 2.514,348 3.057,349 0.577,350 6.98,351 2.422,352 3.727,353 2.74,354 5.311,355 3.41,356 2.445,357 2.93,358 0.305,359 6.845,360 2.359,361 3.576,362 2.735,363 5.284,364 3.359,365 2.375,366 2.786,367 0.234,368 6.702,369 2.323,370 3.454,371 2.518,372 5.223,373 3.219,374 2.236,375 2.639,376 0.061,377 6.341,378 2.189,379 3.364,380 2.459,381 4.968,382 3.014,383 2.031,384 2.427,386 5.765,387 1.977,388 3.166,389 2.381,390 4.852,391 2.963,392 1.96,393 2.376,395 5.117,396 1.957,397 3.118,398 2.326,399 4.695,400 2.832,401 1.822,402 2.211,404 4.714,405 1.829,406 3.016,407 2.008,408 4.28,409 2.618,410 1.618,411 2.05,413 3.948,414 1.618,415 2.905,416 1.66,417 4.16,418 2.519,419 1.54,420 2.017,422 3.787,423 1.508,424 2.77,425 1.646,426 3.89,427 2.477,428 1.487,429 1.904,431 3.206,432 1.469,433 27.3,434 0.471,435 1.329,436 0.023,437 62.75,438 1.082,439 26.5,440 0.457,441 36.25,442 0.625,443 82.046,444 1.415,445 66.3,446 0.557,447 62.819,448 1.083,449 11.425,450 0.197,451 16.59,452 0.286,453 0.134,455 0.311,459 0.785,460 1.39,461 0.915,462 1.204,463 0.631,464 1.091,465 0.706,466 1.268,467 0.967,468 1.201,469 0.593,470 1.133,471 0.926,472 1.043,473 1.009,474 1.062,475 0.971,476 1.05,477 1.246,478 1.071,479 1.008,480 1.019,481 1.23,482 0.981,483 1.278,484 0.945,485 0.972,486 0.9,487 1.317,488 0.89,489 1.506,490 0.98,491 1.105,492 0.967,493 1.679,494 0.981,495 1.382,496 1.016,497 1.064,498 0.983,499 1.512,500 0.978,501 1.097,502 1.013,503 1.03,504 1.011,505 1.168,506 1.011,507 11,508 0.772,509 6.222,510 3.535,511 3.293,512 2.056,513 1.648,514 1.471,515 1.044,516 0.74,517 71017,518 167786,519 2.023,520 51.3,521 26,522 18,523 1,524 2,525 6,526 3,527 5,529 1.892,530 1.891,531 4.122,532 2.575,535 176.414,536 1.482,537 3.633,538 5.21,539 6.037,540 6.348,541 6.382,542 3.579,543 5.41,544 5.828,545 4.352,546 7193.38,547 10.458,548 166732,552 820.483,553 1.409,554 5.786,555 0.177,556 0.007,557 0.075,558 0.041,559 0.037,560 0.021,561 0.016,562 0.014,563 0.009,564 0.007,565 0.404,566 0.17,567 0.38,568 0.787,569 364.739,570 -0.052,571 -0.077,572 0.03,573 -0.001,574 -0.035,575 0.024,576 0.093,577 -0.092,578 -0.007,579 -0.091,580 0.048,581 -0.072,582 0.072,583 0.003,584 -0.018,585 -0.044,586 -0.015,587 -0.046,588 -0.089,589 -0.075,590 0.008,591 -0.046,592 -0.066,593 -0.008,594 0.121,595 0.043,596 0.078,597 0.044,598 0.177,599 0.055,600 -0.053,601 0.027,602 -0.053,603 0.002,604 -0.092,605 -0.024,606 -0.123,607 -0.017,608 -0.038,609 -0.004,610 -0.107,611 -0.006,612 0.046,613 -0.02,614 -0.019,615 -0.026,616 0.066,617 -0.03,618 2.416,619 7.213,620 0.466,621 93.673,622 0.996,623 1.134,624 2.055,625 4.221,626 0.633,627 4.143,628 4.431,629 4.654,630 4.852,631 5.011,632 4.99,633 5.1,634 5.193,635 5.236,636 5.236,637 11.011,638 0.594,639 796.13,640 4.143,641 5.673,642 6.5,643 7.353,644 8.196,645 9.051,646 9.9,647 10.757,648 11.609,649 12.467,650 5.9,657 4,658 1,660 2,661 2,662 13,663 2,664 1,666 3,667 22,674 1,676 119,677 26,678 2,679 62,680 123,681 45,682 18,683 3,684 7,686 5,687 6,690 4,694 5,695 1,697 13,698 22,699 23,700 4,701 4,704 4,708 4,713 61,714 12,715 6,716 13,718 1,719 7,721 0.8,722 6,724 1,728 1,731 1,732 4,736 1,740 4,751 1,753 4,756 4,759 58,762 1,763 11,764 4,765 1,767 8,772 5,773 1,775 4,777 1,778 30.667,779 21.433,780 13.056,781 7.689,783 2.493,784 1.3,785 0.922,786 17.567,787 10.792,788 4.357,789 4.838,790 5.281,791 5.736,792 6.129,793 6.199,794 6.494,795 6.767,796 7.025,797 6.73,798 0.923,799 87,800 21.916,801 9.481,802 7.779,803 41.673,804 34.484,805 2.279,806 132.167,809 647.411,810 221.007,811 122.4,813 154.263,816 221.007,817 801.674,818 122.4,819 35.301,820 101.552,821 146.493,822 185.13,823 52.736,824 11.771,825 612.097,827 647.411,828 343.407,829 154.263,831 588.555,832 170.435,833 42.683,835 176.818,836 133.018,837 33.571,839 647.411,840 276.663,841 221.007,844 647.411,845 64.23,846 156.777,847 88.829,848 187.834,849 647.411,850 276.663,851 221.007,852 0.572,853 0.332,854 0.175,855 0.093,856 32,857 17,858 0.171,859 21,860 1,861 1.074,862 6.104,863 643.121,864 0.074,865 27,866 331.763,870 44.798,871 22.744,872 13.634,873 1.851,874 259.877,875 23.689,876 8.577,877 2.906,879 1.845,880 131.512,881 1145.08,882 77,885 55.069,889 -1.575,891 118.534,892 134.955,893 0.215,894 0.527,895 0.756,896 0.876,897 0.921,898 0.926,899 5.593,900 2.375,901 6.466,902 6.845,903 5.118,904 5.527,905 3.383,906 7.229,907 5.076,908 6.747,909 2.236,910 8,911 6.702,912 4.635,913 5.182,914 2.813,915 8.052,916 4.6,917 8.015,918 2.031,919 9.634,920 6.341,921 6.668,922 7.548,923 4.419,924 11.127,925 6.588,926 9.314,927 1.96,928 11.329,929 5.765,930 7.013,931 8.054,932 4.47,933 12.785,934 6.937,935 10.645,936 1.822,937 13.063,938 5.117,939 8.49,940 9.904,941 5.63,942 15.361,943 8.378,944 11.998,945 1.618,946 14.824,947 4.714,948 9.216,949 10.848,950 5.958,951 17.365,952 9.103,953 13.368,954 1.54,955 16.604,956 3.948,957 10.465,958 12.486,959 6.91,960 19.762,961 10.326,962 3.047,963 1.487,964 18.398,965 3.787,966 11.375,967 13.676,968 7.386,969 21.92,970 11.231,971 3.032,972 10.196,973 20.204,974 3.206,975 12.527,976 15.22,977 8.225,978 24.248,979 12.362,980 2.94,981 9.934,982 22.018,983 4.43,984 13.528,985 16.549,986 8.786,987 26.477,988 13.354,989 2.835,990 9.403,991 23.839,992 3.505,993 14.64,994 18.054,995 9.562,996 28.78,997 14.449,998 2.694,999 9.039,1000 25.666,1001 3.451,1002 15.686,1003 19.458,1004 10.173,1005 31.041,1006 15.484,1007 2.514,1008 8.385,1009 27.497,1010 3.288,1011 16.782,1012 20.948,1013 10.913,1014 33.337,1015 16.565,1016 2.445,1017 6.98,1018 29.333,1019 3.151,1020 17.851,1021 22.392,1022 11.554,1023 35.615,1024 17.622,1025 67662,1026 104351,1027 40.857,1028 75.325,1029 91.84,1030 94.429,1031 93.773,1032 90.593,1033 90.704,1034 110.655,1035 19.836,1036 249.627,1037 88.737,1038 5.493,1039 5.824,1040 6.308,1041 5.116,1042 5.047,1043 7.43,1044 3.645,1045 16.977,1046 5.013,1047 32.534,1048 1.481,1049 1.523,1050 1.512,1051 1.461,1052 1.463,1053 1.785,1054 0.32,1055 4.026,1056 1.431,1057 4.094,1058 4.118,1059 4.044,1060 4.04,1061 7.437,1062 4.038,1063 3.985,1064 4.031,1065 3.904,1066 3.854,1067 7.429,1068 3.853,1069 3.907,1070 3.966,1071 3.838,1072 3.769,1073 7.424,1074 3.771,1075 3.885,1076 3.936,1077 3.793,1078 3.733,1079 7.423,1080 3.749,1081 3.839,1082 3.887,1083 3.735,1084 3.714,1085 6.449,1086 3.712,1087 3.757,1088 3.811,1089 3.643,1090 3.63,1091 4.993,1092 3.621,1093 3.695,1094 3.747,1095 3.61,1096 3.48,1097 4.947,1098 3.503,1099 3.582,1100 3.632,1101 3.473,1102 3.404,1103 4.886,1104 3.409,1105 0.072,1106 0.062,1107 0.105,1108 0.065,1109 0.049,1110 4.493,1111 0.071,1112 3.824,1113 0.033,1114 6.506,1115 0.164,1116 4.037,1117 0.049,1118 3.047,1119 4.43,1120 2.04,1121 10.196,1122 3.013,1123 2.063,1124 2.047,1125 2.145,1126 2.125,1127 1.537,1128 2.132,1129 1.919,1130 1.869,1131 2.128,1132 2.065,1133 1.379,1134 2.086,1135 1.857,1136 1.814,1137 2.038,1138 2.02,1139 1.314,1140 2.024,1141 1.828,1142 1.783,1143 1.998,1144 1.975,1145 1.275,1146 1.983,1147 1.761,1148 1.709,1149 1.964,1150 1.937,1151 1.173,1152 1.943,1153 1.722,1154 1.676,1155 1.886,1156 1.905,1157 1.118,1158 1.911,1159 1.567,1160 1.509,1161 1.804,1162 1.769,1163 1.045,1164 1.782,1165 1.493,1166 1.458,1167 1.671,1168 1.715,1169 0.886,1170 1.692,1171 4.828,1173 6.125,1174 2.398,1175 7.599,1176 4.443,1177 9.155,1178 6.26,1179 10.753,1180 7.73,1184 11.977,1185 6.558,1186 11.878,1187 5.932,1189 -4.27,1192 70.662,1193 176.414,1194 432.316,1195 619.98,1196 718.444,1197 755.464,1198 759.464,1199 223.638,1200 8.299,1201 187.43,1202 187.43,1203 29,1204 13.02,1205 4.755,1206 4,1207 113.895,1208 370,1209 436,1210 0.137,1211 436.013,1212 774.44,1213 1055.63,1214 53744,1216 41.442,1217 0.715,1218 0.591,1219 41.442,1220 34.285,1221 28.015,1222 0.452,1223 0.336,1224 20.626,1225 27.091,1226 20.088,1227 16.765,1228 28.015,1229 20.859,1230 24.619,1231 0.297,1232 0.194,1233 24.619,1234 16.07,1235 19.95,1236 0.192,1237 0.11,1238 19.95,1239 11.432,1240 15.784,1241 0.124,1242 0.061,1243 15.784,1244 7.758,1245 12.347,1246 0.083,1247 0.036,1248 12.347,1249 5.323,1250 0.219,1251 174.974,1252 0.156,1253 48.288,1254 0.369,1255 290,1256 801.782,1257 317.271,1258 767.624,1259 1023.91,1260 716,1261 332,1262 723.498,1263 359.219,1264 729.021,1265 1055.33,1266 687,1267 7.301} {0 CHEMBL166175,1 1.408,2 14.195,3 5.655,4 31.977,5 159.88,6 6.052,7 0.143,8 4.584,9 4.728,10 3.931,11 4.037,12 5.549,13 3.976,14 5.193,15 5.408,16 4.292,17 4.45,18 6.123,19 4.35,20 5.557,21 5.803,22 4.37,23 4.657,24 6.441,25 4.522,26 5.709,27 5.993,28 4.447,29 4.679,30 6.629,31 4.547,32 5.696,33 5.952,34 4.522,35 4.66,36 6.866,37 4.568,38 5.685,39 5.923,40 4.541,41 4.758,42 6.682,43 4.652,44 5.818,45 6.067,46 4.611,47 4.879,48 6.782,49 4.756,50 5.939,51 6.206,52 4.619,53 4.948,54 6.951,55 4.795,56 0.097,57 1.288,58 23.583,59 9.29,60 18.511,61 13.377,62 0.55,63 2.024,64 42.804,65 15.268,66 62.761,67 22.655,68 0.787,69 2.574,70 61.016,71 19.789,72 95.976,73 29.872,74 0.77,75 2.738,76 70.206,77 20.295,78 120.496,79 32.211,80 1.681,81 2.663,82 72.447,83 18.744,84 258.346,85 29.612,86 1.026,87 2.811,88 70.454,89 21.709,90 147.989,91 32.376,92 0.95,93 3.195,94 79.539,95 24.849,96 149.231,97 37.5,98 1.6,99 3.439,100 89.128,101 27.885,102 242.918,103 42.148,104 137,105 57,106 0.211,107 0.462,108 0.679,109 0.81,110 0.842,111 0.842,112 3.741,113 1.104,114 -3.42,115 -3.4,116 -3.25,117 33.7,118 7,119 8,120 4,123 1,125 3,127 1,135 3,138 1,139 1,145 2,146 1,154 16,156 1,157 6,160 4,162 4,163 18,167 4,169 2,170 2,171 10,174 9,178 10,183 14,186 4,189 2,190 9,192 4,193 1,194 10,197 8,201 12,204 2,205 1,206 9,208 18,212 12,217 9,220 22,223 3,224 11,226 3,227 1,228 6,231 24,236 6,239 1,240 1,241 6,243 23,246 3872,247 26.283,248 26.283,249 26.283,250 26.283,251 26.283,252 25.117,253 24.853,254 15.639,255 26.62,256 20.639,257 20.639,258 20.639,259 20.639,260 20.639,261 18.792,262 32.702,263 7.36,264 21.164,265 5.162,266 3.49,267 2.042,268 1.164,269 0.951,270 0.951,271 4.403,275 1,276 1176,277 6.481,280 371.784,285 2.258,286 56.905,288 0.75,289 0.5,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.71,296 89,297 582,298 4.17,299 3.823,300 6.467,301 4.075,302 3.136,303 3.451,304 2.186,305 10.162,306 3.012,307 4.148,308 3.767,309 6.447,310 4.031,311 3.041,312 3.288,313 1.971,314 9.93,315 2.928,316 3.977,317 3.649,318 6.304,319 3.877,320 2.893,321 3.218,322 1.892,323 9.357,324 2.85,325 3.879,326 3.196,327 6.034,328 3.722,329 2.733,330 3.065,331 0.577,332 8.636,333 2.692,334 3.798,335 2.927,336 5.348,337 3.478,338 2.514,339 2.845,340 0.366,341 6.98,342 2.422,343 3.458,344 2.735,345 5.292,346 3.382,347 2.395,348 2.514,349 0.234,350 6.764,351 2.354,352 3.31,353 2.517,354 4.89,355 3.029,356 2.058,357 2.342,359 5.613,360 1.968,361 3.165,362 2.459,363 4.852,364 2.963,365 1.96,366 2.209,368 5.117,369 1.957,370 3.013,371 2.325,372 4.692,373 2.831,374 1.821,375 2.049,377 4.698,378 1.828,379 2.905,380 1.661,381 4.086,382 2.504,383 1.512,384 2.013,386 3.522,387 1.498,388 2.519,389 1.646,390 3.761,391 2.477,392 1.487,393 1.517,395 3.15,396 1.469,397 2.5,398 1.427,399 3.59,400 2.153,401 1.177,402 1.5,404 2.883,405 1.143,406 2.219,407 1.38,408 3.549,409 2,410 1,411 1.203,413 2.301,414 1,415 2.043,416 1.058,417 3.247,418 1.959,419 1,420 1,422 2.136,423 0.956,424 2,425 1.017,426 3.247,427 1.904,428 0.943,429 0.997,431 2.136,432 0.9,433 19.267,434 0.47,435 1.285,436 0.031,437 35,438 0.854,439 10.5,440 0.256,441 24.5,442 0.598,443 63.471,444 1.548,445 50.333,446 0.53,447 30.274,448 0.738,449 5.533,450 0.135,451 13.768,452 0.336,453 0.251,454 0.026,455 0.285,459 0.788,460 1.542,461 1.039,462 1.394,463 0.681,464 1.266,465 0.578,466 1.311,467 0.943,468 1.244,469 0.508,470 1.159,471 1.101,472 1.176,473 1.12,474 1.16,475 0.95,476 1.148,477 1.116,478 1.089,479 0.915,480 0.983,481 1.146,482 0.921,483 1.629,484 0.855,485 1.118,486 0.808,487 1.736,488 0.868,489 1.554,490 1.019,491 1.139,492 1.014,493 1.664,494 1.021,495 1.382,496 1.106,497 1.122,498 1.09,499 1.396,500 1.072,501 1.135,502 0.979,503 1.067,504 1.007,505 1.149,506 1.029,507 10.5,508 0.438,509 4.444,510 3,511 2.302,512 1.653,513 1.327,514 1.2,515 0.786,516 0.649,517 24690,518 53698,519 1.883,520 56.8,521 26,522 8,524 1,525 4,526 1,527 14,529 1.812,530 1.714,531 3.727,532 1.387,535 133.763,536 1.408,537 3.08,538 4.528,539 5.406,540 5.619,541 5.619,542 3.208,543 4.882,544 5.328,545 3.974,546 3258.9,547 9.453,548 58606,552 624.136,553 1.671,554 5.246,555 0.25,556 0.008,557 0.078,558 0.052,559 0.037,560 0.025,561 0.019,562 0.016,563 0.011,564 0.01,565 0.506,566 0.17,567 0.75,568 1.39,569 233.344,570 -0.037,571 -0.102,572 0.017,573 -0.036,574 -0.055,575 -0.006,576 0.231,577 -0.087,578 0.072,579 -0.068,580 0.136,581 -0.03,582 -0.035,583 -0.087,584 -0.094,585 -0.102,586 -0.061,587 -0.111,588 -0.033,589 -0.105,590 0.093,591 -0.032,592 -0.009,593 0.042,594 0.028,595 0.151,596 -0.007,597 0.103,598 0.079,599 0.055,600 -0.139,601 0.034,602 -0.064,603 0.013,604 -0.145,605 -0.013,606 -0.138,607 -0.059,608 -0.078,609 -0.06,610 -0.097,611 -0.058,612 0.054,613 0.01,614 -0.047,615 -0.012,616 0.062,617 -0.041,618 2.275,619 6.626,620 0.293,621 51.453,622 0.991,623 1.141,624 2.188,625 4.785,626 0.603,627 3.761,628 4.06,629 4.174,630 4.344,631 4.443,632 4.407,633 4.5,634 4.543,635 4.5,636 4.5,637 8.61,638 0.556,639 574.9,640 3.761,641 5.293,642 6.089,643 6.946,644 7.76,645 8.618,646 9.441,647 10.299,648 11.128,649 11.986,650 4.2,657 3,660 1,662 4,663 1,666 1,667 6,676 95,677 9,679 42,680 96,681 32,682 5,686 2,687 2,690 7,694 5,695 1,697 11,698 8,699 24,700 5,701 3,704 3,708 3,713 54,714 9,715 4,716 9,719 4,721 1,722 5,724 1,728 1,732 2,740 2,750 1,751 1,753 2,756 7,759 41,762 1,763 9,764 3,765 1,767 7,769 1,772 5.3,773 1,775 3,777 1,778 23.917,779 18.233,780 9.181,781 6.329,783 0.786,784 1.11,785 0.864,786 14.75,787 7.93,788 3.892,789 4.284,790 4.508,791 4.817,792 5.062,793 4.856,794 4.981,795 5.133,796 5.215,797 5.197,798 1,799 58,800 15.507,801 6.526,802 7.787,803 29.733,804 24.261,805 2.287,806 93.75,809 588.555,810 140.563,811 70.818,813 129.118,816 140.563,817 717.673,818 70.818,819 61.776,820 76.414,821 71.112,822 113.401,823 22.804,824 6.763,825 576.784,827 588.555,828 211.381,829 129.118,831 423.76,832 251.23,833 42.683,835 149.995,836 44.601,837 16.786,839 588.555,840 199.936,841 140.563,844 588.555,845 41.311,846 99.253,847 54.032,848 145.904,849 588.555,850 199.936,851 140.563,852 0.579,853 0.311,854 0.159,855 0.082,856 20,857 13,858 0.167,859 16,861 1,862 4.743,863 379.659,865 12,866 208.905,870 35.185,871 17.188,872 12.803,874 199.936,875 7.187,876 4.249,879 0.736,880 96.716,881 929.054,882 48,885 39.482,889 -1.099,891 94.134,892 108.42,893 0.214,894 0.469,895 0.689,896 0.823,897 0.855,898 0.855,899 5.156,900 1.96,901 6.103,902 5.613,903 4.745,904 4.97,905 3.123,906 6.88,907 4.695,908 6.309,909 1.821,910 7.656,911 5.117,912 4.511,913 4.758,914 2.624,915 7.904,916 4.437,917 7.582,918 1.512,919 9.313,920 4.698,921 6.354,922 6.804,923 4.248,924 10.851,925 6.245,926 8.877,927 1.487,928 11.03,929 3.522,930 6.868,931 7.281,932 4.35,933 12.627,934 6.728,935 10.2,936 1.177,937 12.783,938 3.15,939 8.252,940 8.912,941 5.551,942 15.15,943 8.078,944 11.54,945 1,946 14.56,947 2.883,948 9.086,949 9.677,950 5.926,951 17.22,952 8.878,953 12.893,954 1,955 16.355,956 2.301,957 10.298,958 11.153,959 6.931,960 19.595,961 10.057,962 3.136,963 0.943,964 18.162,965 2.136,966 11.28,967 12.057,968 7.455,969 21.789,970 11.001,971 3.041,972 10.162,973 19.978,974 2.136,975 12.424,976 13.462,977 8.355,978 24.111,979 12.112,980 2.893,981 9.93,982 21.802,983 3.451,984 13.474,985 14.444,986 8.969,987 26.359,988 13.123,989 2.733,990 9.357,991 23.631,992 3.288,993 14.594,994 15.808,995 9.811,996 28.661,997 14.208,998 2.514,999 8.636,1000 25.465,1001 3.218,1002 15.676,1003 16.841,1004 10.48,1005 30.934,1006 15.251,1007 2.395,1008 6.98,1009 27.303,1010 3.065,1011 16.79,1012 18.177,1013 11.29,1014 33.23,1015 16.328,1016 2.058,1017 6.764,1018 29.143,1019 2.845,1020 17.889,1021 19.247,1022 11.995,1023 35.515,1024 17.387,1025 24986,1026 37063,1027 25.948,1028 57.33,1029 62.063,1030 64.624,1031 64.064,1032 61.36,1033 61.288,1034 68.583,1035 14.453,1036 171.041,1037 59.855,1038 5.17,1039 5.823,1040 6.269,1041 5.139,1042 5.136,1043 6.451,1044 3.889,1045 16.781,1046 5.012,1047 29.02,1048 1.478,1049 1.539,1050 1.525,1051 1.461,1052 1.459,1053 1.633,1054 0.344,1055 4.072,1056 1.425,1057 3.978,1058 4.027,1059 3.88,1060 3.848,1061 7.437,1062 3.844,1063 3.887,1064 3.936,1065 3.799,1066 3.769,1067 7.431,1068 3.77,1069 3.839,1070 3.887,1071 3.736,1072 3.717,1073 7.423,1074 3.713,1075 3.761,1076 3.811,1077 3.644,1078 3.63,1079 6.449,1080 3.621,1081 3.732,1082 3.777,1083 3.612,1084 3.56,1085 4.89,1086 3.563,1087 3.593,1088 3.657,1089 3.449,1090 3.432,1091 4.572,1092 3.427,1093 3.462,1094 3.531,1095 3.318,1096 3.242,1097 4.322,1098 3.253,1099 3.33,1100 3.398,1101 3.178,1102 3.118,1103 4.273,1104 3.115,1105 0.099,1106 0.091,1107 0.154,1108 0.097,1109 0.075,1110 4.17,1111 0.082,1112 3.823,1113 0.052,1114 6.467,1115 0.242,1116 4.075,1117 0.072,1118 3.136,1119 3.451,1120 2.186,1121 10.162,1122 3.012,1123 1.917,1124 1.868,1125 2.128,1126 2.063,1127 1.537,1128 2.084,1129 1.857,1130 1.814,1131 2.038,1132 2.02,1133 1.378,1134 2.024,1135 1.827,1136 1.782,1137 1.998,1138 1.974,1139 1.314,1140 1.982,1141 1.758,1142 1.705,1143 1.964,1144 1.923,1145 1.148,1146 1.94,1147 1.698,1148 1.649,1149 1.947,1150 1.899,1151 1.116,1152 1.915,1153 1.581,1154 1.52,1155 1.826,1156 1.782,1157 1.045,1158 1.8,1159 1.411,1160 1.345,1161 1.666,1162 1.667,1163 0.886,1164 1.67,1165 1.298,1166 1.227,1167 1.596,1168 1.546,1169 0.825,1170 1.555,1171 4.443,1173 5.746,1175 7.213,1177 8.75,1179 10.324,1180 13.213,1184 11.427,1185 7.43,1186 8.803,1187 5.491,1189 -2.509,1191 -0.66,1192 52.83,1193 133.763,1194 292.627,1195 430.123,1196 513.568,1197 533.833,1198 533.833,1199 219.966,1200 7.144,1201 129.65,1202 129.65,1203 12,1204 12.544,1205 3.322,1206 2.807,1207 114.928,1208 208,1209 232,1210 0.257,1211 332.533,1212 598.65,1213 803.14,1214 11296,1216 30.579,1217 0.746,1218 0.64,1219 30.579,1220 26.242,1221 19.301,1222 0.46,1223 0.368,1224 15.299,1225 18.64,1226 14.669,1227 12.4,1228 19.301,1229 15.458,1230 18.047,1231 0.317,1232 0.229,1233 18.047,1234 13.057,1235 12.567,1236 0.196,1237 0.126,1238 12.567,1239 8.079,1240 9.961,1241 0.131,1242 0.071,1243 9.961,1244 5.412,1245 7.188,1246 0.086,1247 0.044,1248 7.188,1249 3.669,1250 0.406,1251 120.6,1252 0.196,1253 36.689,1254 0.701,1255 198,1256 529.736,1257 219.499,1258 501.806,1259 656.33,1260 464,1261 220,1262 457.553,1263 238.956,1264 459.697,1265 658.84,1266 429,1267 7.046} {0 CHEMBL167514,1 1.503,2 18.13,3 4.763,4 22.69,5 203.404,6 6.703,7 0.298,8 4.762,9 4.9,10 4.206,11 4.255,12 5.821,13 4.215,14 5.34,15 5.533,16 4.559,17 4.668,18 6.362,19 4.589,20 5.71,21 5.949,22 4.685,23 4.857,24 6.713,25 4.753,26 5.829,27 6.086,28 4.721,29 4.876,30 6.858,31 4.778,32 5.859,33 6.104,34 4.832,35 4.889,36 7.119,37 4.813,38 5.884,39 6.112,40 4.849,41 4.974,42 7.029,43 4.892,44 6.004,45 6.246,46 4.903,47 5.088,48 7.053,49 4.989,50 6.1,51 6.35,52 4.964,53 5.168,54 7.223,55 5.053,56 0.088,57 1.596,58 25.537,59 10.296,60 23.104,61 14.614,62 0.436,63 2.541,64 47.049,65 17.495,66 78.263,67 25.684,68 0.959,69 3.246,70 70.906,71 23.106,72 157.459,73 34.496,74 0.999,75 3.426,76 81.236,77 23.826,78 174.485,79 36.579,80 1.892,81 3.447,82 85.202,83 23.739,84 349.643,85 36.213,86 1.484,87 3.644,88 86.248,89 26.105,90 272.275,91 38.23,92 1.263,93 4.099,94 96.568,95 29.756,96 240.345,97 44.176,98 1.785,99 4.468,100 106.46,101 33.08,102 347.153,103 49.683,104 135,105 77,106 0.215,107 0.51,108 0.73,109 0.855,110 0.893,111 0.893,112 4.01,113 1.014,114 -2.28,115 -2.32,116 -2.29,117 36.9,118 4,119 9,120 4,123 1,125 4,135 9,136 1,138 1,139 3,145 5,148 1,149 1,150 1,154 22,157 7,159 1,160 5,162 6,163 21,165 1,166 1,167 9,169 4,170 3,171 12,174 14,178 9,181 1,182 1,183 12,185 1,186 7,189 4,190 10,191 1,192 6,193 2,194 13,196 1,197 11,200 2,201 12,203 1,204 4,205 2,206 15,208 18,211 1,212 14,214 1,215 1,217 13,220 21,222 2,223 2,224 16,226 4,227 2,228 14,230 1,231 21,233 3,236 19,239 3,240 2,241 18,243 21,245 5,246 8428,247 35.697,248 35.697,249 35.697,250 35.697,251 35.697,252 32.99,253 27.283,254 21.294,255 35.94,256 28.028,257 28.028,258 28.028,259 28.028,260 28.028,261 23.816,262 31.752,263 10.035,264 28.396,265 5.291,266 3.23,267 1.692,268 0.811,269 0.55,270 0.55,271 4.694,276 2053,277 6.892,280 898.002,284 344.735,285 2.584,286 85.944,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 117.5,297 979,298 4.437,299 3.824,300 6.466,301 4.037,302 3.048,303 4.352,304 1.971,305 9.934,306 3.014,307 4.156,308 3.792,309 6.31,310 3.981,311 2.999,312 3.451,313 1.956,314 9.497,315 2.939,316 4.082,317 3.649,318 6.269,319 3.9,320 2.919,321 3.432,322 1.892,323 9.376,324 2.864,325 3.975,326 3.531,327 6.148,328 3.814,329 2.817,330 3.288,331 1.886,332 9.004,333 2.8,334 3.9,335 3.483,336 5.975,337 3.678,338 2.688,339 3.149,340 1.058,341 8.45,342 2.655,343 3.867,344 2.952,345 5.81,346 3.509,347 2.514,348 3.056,349 0.577,350 7.858,351 2.51,352 3.711,353 2.862,354 5.348,355 3.478,356 2.502,357 2.769,358 0.248,359 6.98,360 2.422,361 3.463,362 2.735,363 5.288,364 3.351,365 2.364,366 2.589,367 0.234,368 6.727,369 2.325,370 3.36,371 2.518,372 4.852,373 3.089,374 2.06,375 2.427,377 5.118,378 2.1,379 3.166,380 2.459,381 4.703,382 2.963,383 1.96,384 2.377,386 5.094,387 1.957,388 3.118,389 2.327,390 4.67,391 2.832,392 1.822,393 2.228,395 4.708,396 1.829,397 3.033,398 2.084,399 4.456,400 2.606,401 1.618,402 2.209,404 4.448,405 1.599,406 3.012,407 1.899,408 4.307,409 2.559,410 1.583,411 2.05,413 4.086,414 1.536,415 2.905,416 1.66,417 4.108,418 2.503,419 1.509,420 2.016,422 3.532,423 1.496,424 2.783,425 1.646,426 3.769,427 2.477,428 1.487,429 1.849,431 3.15,432 1.469,433 25.3,434 0.469,435 1.405,436 0.026,437 56.75,438 1.051,439 23.5,440 0.435,441 33.25,442 0.616,443 76.517,444 1.417,445 62.3,446 0.561,447 58.021,448 1.074,449 10.201,450 0.189,451 15.652,452 0.29,453 0.174,455 0.336,459 0.751,460 1.373,461 0.921,462 1.196,463 0.64,464 1.093,465 0.563,466 1.338,467 0.924,468 1.241,469 0.525,470 1.154,471 0.924,472 1.074,473 0.997,474 1.064,475 0.936,476 1.046,477 1.207,478 1.058,479 0.994,480 0.991,481 1.152,482 0.958,483 1.217,484 0.914,485 0.964,486 0.869,487 1.194,488 0.87,489 1.425,490 0.996,491 1.099,492 0.991,493 1.432,494 0.999,495 1.331,496 1.029,497 1.067,498 1.005,499 1.323,500 0.998,501 1.047,502 1.018,503 1.024,504 1.018,505 1.059,506 1.018,507 11.5,508 0.81,509 6.222,510 3.313,511 3.578,512 2.167,513 1.572,514 1.561,515 1.082,516 0.782,517 56367,518 139272,519 1.973,520 51.4,521 26,522 15,524 1,525 7,526 3,527 5,529 1.876,530 1.82,531 4.07,532 3.404,535 166.885,536 1.503,537 3.565,538 5.102,539 5.983,540 6.245,541 6.245,542 3.542,543 5.459,544 5.725,545 4.274,546 6116.61,547 10.249,548 133681,552 754.18,553 1.5,554 5.668,555 0.202,556 0.009,557 0.081,558 0.04,559 0.043,560 0.023,561 0.016,562 0.015,563 0.01,564 0.008,565 0.447,566 0.17,567 0.5,568 0.982,569 332.612,570 -0.067,571 -0.033,572 0.014,573 0.028,574 -0.049,575 0.035,576 0.141,577 -0.147,578 0.019,579 -0.108,580 0.088,581 -0.075,582 0.038,583 -0.017,584 -0.01,585 -0.046,586 -0.028,587 -0.041,588 -0.078,589 -0.061,590 0.021,591 -0.029,592 -0.06,593 0.009,594 0.157,595 0.075,596 0.087,597 0.07,598 0.192,599 0.071,600 -0.063,601 0.021,602 -0.059,603 -0.004,604 -0.054,605 -0.03,606 -0.132,607 -0.027,608 -0.049,609 -0.014,610 -0.103,611 -0.018,612 0.059,613 -0.028,614 -0.018,615 -0.03,616 0.073,617 -0.034,618 2.658,619 6.925,620 0.407,621 81.336,622 0.998,623 1.136,624 1.054,625 1.111,626 0.629,627 4.06,628 4.357,629 4.564,630 4.754,631 4.949,632 4.927,633 5.03,634 5.124,635 5.176,636 5.159,637 10.414,638 0.591,639 744.05,640 4.06,641 5.595,642 6.418,643 7.274,644 8.117,645 8.975,646 9.825,647 10.685,648 11.539,649 12.4,650 6.3,657 5,660 2,661 2,662 10,663 2,666 2,667 17,668 1,676 111,677 22,678 1,679 57,680 114,681 41,682 14,683 2,684 4,685 1,686 4,687 5,690 4,694 5,695 1,697 13,698 19,699 22,700 4,701 5,704 5,708 5,713 57,714 13,715 7,716 13,719 7,721 0.75,722 6,724 1,728 2,732 4,736 1,739 1,740 3,751 1,753 3,756 4,759 54,760 1,762 1,763 10,764 4,767 8,772 5.4,773 1,775 5,778 29.667,779 20.017,780 12.139,781 7.186,783 2.401,784 1.296,785 0.911,786 16.704,787 10.507,788 4.27,789 4.745,790 5.165,791 5.608,792 6.102,793 6.219,794 6.535,795 6.817,796 7.127,797 6.902,798 1,799 83,800 20.471,801 8.945,802 7.901,803 38.447,804 31.778,805 2.401,806 129.667,809 588.555,810 188.305,811 138.511,813 168.408,816 188.305,817 756.963,818 138.511,819 35.301,820 129.857,821 127.97,822 194.59,823 19.278,825 576.784,827 588.555,828 326.816,829 168.408,831 529.7,832 184.58,833 42.683,835 181.863,836 111.382,837 33.571,839 588.555,840 306.919,841 188.305,844 588.555,845 58.67,846 129.634,847 72.043,848 234.876,849 588.555,850 306.919,851 188.305,852 0.576,853 0.329,854 0.171,855 0.095,856 29,857 17,858 0.167,859 19,860 1,861 1.091,862 5.728,863 579.324,864 0.091,865 22,866 304.764,870 42.674,871 21.138,872 13.042,873 1.439,874 306.919,875 17.672,876 8.66,879 0.763,880 147.624,881 1083.78,882 70.5,885 66.57,889 -2.803,891 110.766,892 126.125,893 0.221,894 0.525,895 0.751,896 0.881,897 0.919,898 0.919,899 5.514,900 2.364,901 6.399,902 6.98,903 5.043,904 5.434,905 3.358,906 7.169,907 5.017,908 6.676,909 2.06,910 7.942,911 6.727,912 4.635,913 5.173,914 2.813,915 8.011,916 4.611,917 7.952,918 1.96,919 9.584,920 5.118,921 6.605,922 7.446,923 4.341,924 11.071,925 6.548,926 9.254,927 1.822,928 11.284,929 5.094,930 6.986,931 7.984,932 4.412,933 12.711,934 6.929,935 10.587,936 1.618,937 13.02,938 4.708,939 8.437,940 9.795,941 5.501,942 15.279,943 8.35,944 11.94,945 1.583,946 14.781,947 4.448,948 9.177,949 10.735,950 5.849,951 17.251,952 9.086,953 13.309,954 1.509,955 16.559,956 4.086,957 10.414,958 12.358,959 6.738,960 19.633,961 10.299,962 3.048,963 1.487,964 18.35,965 3.532,966 11.329,967 13.527,968 7.227,969 21.754,970 11.205,971 2.999,972 9.934,973 20.15,974 3.15,975 12.474,976 15.062,977 8.012,978 24.06,979 12.329,980 2.919,981 9.497,982 21.957,983 4.352,984 13.474,985 16.364,986 8.579,987 26.251,988 13.317,989 2.817,990 9.376,991 23.771,992 3.451,993 14.58,994 17.858,995 9.308,996 28.527,997 14.405,998 2.688,999 9.004,1000 25.588,1001 3.432,1002 15.622,1003 19.236,1004 9.916,1005 30.753,1006 15.434,1007 2.514,1008 8.45,1009 27.41,1010 3.288,1011 16.713,1012 20.713,1013 10.616,1014 33.018,1015 16.509,1016 2.502,1017 7.858,1018 29.235,1019 3.149,1020 17.777,1021 22.133,1022 11.248,1023 35.262,1024 17.559,1025 54564,1026 86121,1027 36.698,1028 69.802,1029 84.764,1030 88.267,1031 87.443,1032 83.761,1033 83.774,1034 101.336,1035 19.645,1036 232.673,1037 82.718,1038 5.437,1039 5.824,1040 6.268,1041 5.089,1042 5.048,1043 7.352,1044 3.451,1045 16.586,1046 5.014,1047 34.48,1048 1.487,1049 1.549,1050 1.534,1051 1.469,1052 1.47,1053 1.778,1054 0.345,1055 4.082,1056 1.451,1057 4.082,1058 4.113,1059 4.037,1060 4.003,1061 7.443,1062 4.007,1063 3.967,1064 4.013,1065 3.875,1066 3.844,1067 7.432,1068 3.841,1069 3.888,1070 3.937,1071 3.803,1072 3.769,1073 7.429,1074 3.771,1075 3.839,1076 3.887,1077 3.74,1078 3.717,1079 7.424,1080 3.713,1081 3.784,1082 3.831,1083 3.693,1084 3.632,1085 7.423,1086 3.629,1087 3.745,1088 3.795,1089 3.626,1090 3.589,1091 6.449,1092 3.602,1093 3.583,1094 3.642,1095 3.478,1096 3.428,1097 4.974,1098 3.429,1099 3.524,1100 3.558,1101 3.44,1102 3.383,1103 4.891,1104 3.385,1105 0.078,1106 0.067,1107 0.113,1108 0.071,1109 0.053,1110 4.437,1111 0.076,1112 3.824,1113 0.035,1114 6.466,1115 0.174,1116 4.037,1117 0.053,1118 3.048,1119 4.352,1120 1.971,1121 9.934,1122 3.014,1123 2.035,1124 2.011,1125 2.128,1126 2.123,1127 1.537,1128 2.121,1129 1.919,1130 1.869,1131 2.114,1132 2.064,1133 1.379,1134 2.085,1135 1.857,1136 1.814,1137 2.038,1138 2.02,1139 1.314,1140 2.024,1141 1.827,1142 1.782,1143 1.998,1144 1.975,1145 1.208,1146 1.983,1147 1.76,1148 1.707,1149 1.964,1150 1.933,1151 1.16,1152 1.942,1153 1.704,1154 1.66,1155 1.874,1156 1.902,1157 1.084,1158 1.904,1159 1.562,1160 1.506,1161 1.795,1162 1.766,1163 1.045,1164 1.778,1165 1.483,1166 1.449,1167 1.666,1168 1.667,1169 0.886,1170 1.67,1171 4.745,1173 6.047,1175 7.529,1177 9.09,1179 10.692,1180 7.608,1183 5.522,1184 11.82,1185 5.931,1186 11.4,1189 -4.914,1192 65.609,1193 166.885,1194 395.68,1195 566.367,1196 664.141,1197 693.161,1198 693.161,1199 249.501,1200 8.106,1201 205.5,1202 205.5,1203 24,1204 12.951,1205 4.524,1206 3.858,1207 117.767,1208 327,1209 384,1210 0.162,1211 407.964,1212 731.14,1213 987.193,1214 41563,1216 39.2,1217 0.726,1218 0.591,1219 39.2,1220 31.924,1221 25.853,1222 0.454,1223 0.338,1224 19.069,1225 25.024,1226 18.558,1227 15.5,1228 25.853,1229 19.271,1230 23.135,1231 0.3,1232 0.195,1233 23.135,1234 15.005,1235 18.214,1236 0.192,1237 0.111,1238 18.214,1239 10.562,1240 14.249,1241 0.124,1242 0.061,1243 14.249,1244 7.072,1245 11.544,1246 0.082,1247 0.035,1248 11.544,1249 4.933,1250 0.258,1251 161.415,1252 0.165,1253 45.63,1254 0.438,1255 268,1256 762.761,1257 293.859,1258 732.509,1259 964.36,1260 678,1261 306,1262 673.187,1263 330.784,1264 678.429,1265 981.19,1266 639,1267 8.523} {0 CHEMBL169870,1 1.508,2 13.625,3 3.697,4 13.666,5 181.28,6 6.649,7 0.216,8 4.666,9 4.802,10 4.11,11 4.132,12 5.704,13 4.098,14 5.26,15 5.453,16 4.492,17 4.559,18 6.265,19 4.491,20 5.615,21 5.844,22 4.542,23 4.746,24 6.584,25 4.64,26 5.749,27 6.009,28 4.608,29 4.759,30 6.791,31 4.657,32 5.721,33 5.96,34 4.721,35 4.75,36 6.952,37 4.684,38 5.752,39 5.981,40 4.782,41 4.842,42 6.862,43 4.779,44 5.863,45 6.087,46 4.866,47 4.95,48 6.999,49 4.881,50 5.957,51 6.195,52 4.89,53 5.03,54 7.085,55 4.942,56 0.063,57 1.432,58 23.532,59 9.202,60 21.398,61 13.175,62 0.591,63 2.291,64 44.253,65 15.624,66 73.316,67 23.037,68 0.872,69 2.852,70 64.801,71 20.954,72 122.166,73 30.996,74 1.07,75 3.006,76 75.405,77 21.875,78 183.758,79 33.583,80 1.678,81 2.992,82 74.409,83 20.18,84 280.258,85 31.019,86 1.161,87 3.191,88 75.6,89 22.018,90 190.869,91 33.044,92 1.269,93 3.539,94 84.525,95 24.843,96 223.105,97 37.025,98 1.835,99 3.866,100 93.316,101 27.041,102 290.368,103 40.864,104 108,105 71,106 0.221,107 0.542,108 0.761,109 0.841,110 0.859,111 0.859,112 3.895,113 1.002,114 -2.89,115 -2.89,116 -2.8,117 36,118 3,119 9,120 2,122 1,125 5,127 1,130 1,131 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 16,156 2,157 8,160 5,162 4,163 20,167 4,169 2,170 3,171 8,174 13,178 9,181 3,183 10,186 5,189 4,190 9,192 7,193 1,194 11,197 5,200 1,201 12,204 2,205 3,206 12,208 11,211 2,212 20,215 2,217 10,220 13,223 2,224 17,226 6,227 1,228 7,231 15,235 2,236 13,240 2,241 10,243 19,246 5858,247 31.455,248 31.455,249 31.455,250 31.455,251 31.455,252 29.484,253 32.482,254 18.59,255 31.936,256 25.107,257 25.107,258 25.107,259 25.107,260 25.107,261 21.999,262 37.814,263 8.821,264 25.842,265 5.136,266 2.942,267 1.447,268 0.903,269 0.78,270 0.78,271 4.577,276 1364,277 6.205,279 356.126,280 422.827,285 1.906,286 74.366,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 105,297 654,298 4.313,299 3.905,300 6.791,301 4.2,302 3.225,303 3.509,304 2.189,305 11.013,306 3.142,307 4.177,308 3.847,309 6.448,310 4.074,311 3.136,312 3.472,313 1.983,314 10.161,315 2.934,316 4.105,317 3.751,318 6.234,319 3.928,320 2.947,321 3.439,322 1.943,323 9.293,324 2.882,325 3.987,326 3.623,327 6.134,328 3.781,329 2.803,330 3.236,331 1.923,332 8.904,333 2.742,334 3.863,335 3.167,336 5.951,337 3.663,338 2.685,339 3.157,340 0.736,341 8.391,342 2.626,343 3.791,344 2.979,345 5.489,346 3.418,347 2.441,348 2.978,349 0.424,350 7.113,351 2.395,352 3.654,353 2.755,354 5.311,355 3.407,356 2.418,357 2.721,358 0.3,359 6.844,360 2.378,361 3.433,362 2.74,363 5.287,364 3.332,365 2.358,366 2.536,367 0.114,368 6.727,369 2.28,370 3.413,371 2.722,372 5.178,373 3.049,374 2.064,375 2.437,376 0.079,377 5.978,378 2,379 3.168,380 2.473,381 4.891,382 2.936,383 1.937,384 2.203,386 5.584,387 1.926,388 2.93,389 2.067,390 4.76,391 2.623,392 1.644,393 2.086,395 4.716,396 1.6,397 2.77,398 1.965,399 4.235,400 2.517,401 1.516,402 1.796,404 3.73,405 1.513,406 2.642,407 1.892,408 3.89,409 2.415,410 1.426,411 1.646,413 3.143,414 1.407,415 2.5,416 1.491,417 3.721,418 2.273,419 1.298,420 1.5,422 3.045,423 1.257,424 2.47,425 1.471,426 3.553,427 2.111,428 1.155,429 1.437,431 2.739,432 1.095,433 22.4,434 0.467,435 1.418,436 0.03,437 47.5,438 0.99,439 17,440 0.354,441 30.5,442 0.635,443 66.619,444 1.388,445 56.2,446 0.562,447 49.081,448 1.023,449 8.751,450 0.182,451 14.088,452 0.294,453 0.186,454 0.022,455 0.308,459 0.781,460 1.5,461 0.917,462 1.278,463 0.645,464 1.135,465 0.611,466 1.253,467 0.918,468 1.184,469 0.532,470 1.11,471 1.081,472 1.123,473 1.115,474 1.151,475 0.953,476 1.143,477 1.162,478 1.037,479 0.952,480 0.97,481 1.26,482 0.932,483 1.236,484 0.954,485 0.982,486 0.888,487 1.329,488 0.888,489 1.333,490 1.02,491 1.004,492 0.962,493 1.397,494 0.93,495 1.406,496 1.089,497 1.062,498 1.024,499 1.479,500 0.992,501 1.281,502 0.937,503 1.077,504 0.911,505 1.357,506 0.951,507 11.5,508 0.596,509 4.889,510 4.111,511 2.792,512 1.841,513 1.636,514 1.294,515 1.072,516 0.82,517 37497,518 89712,519 1.977,520 52,521 11,522 16,523 1,524 1,525 5,526 3,527 15,529 1.853,530 1.817,531 3.69,532 2.025,535 150.826,536 1.508,537 3.701,538 5.197,539 5.741,540 5.863,541 5.863,542 3.063,543 5.095,544 5.559,545 3.919,546 4421.14,547 9.94,548 87319.3,552 664.386,553 1.615,554 5.49,555 0.225,556 0.006,557 0.069,558 0.059,559 0.038,560 0.022,561 0.018,562 0.013,563 0.011,564 0.008,565 0.47,566 0.17,567 0.63,568 1.128,569 282.444,570 -0.054,571 -0.138,572 0.032,573 -0.032,574 -0.049,575 0.008,576 0.195,577 -0.043,578 0.046,579 -0.059,580 0.094,581 -0.038,582 -0.05,583 -0.058,584 -0.121,585 -0.114,586 -0.064,587 -0.13,588 -0.027,589 -0.071,590 0.061,591 -0.009,592 -0.025,593 0.035,594 0.126,595 0.059,596 0.072,597 0.054,598 0.138,599 0.053,600 -0.059,601 0.024,602 0.033,603 0.024,604 -0.052,605 0.042,606 -0.095,607 -0.054,608 -0.023,609 -0.027,610 -0.064,611 -0.014,612 -0.028,613 0.089,614 -0.044,615 0.062,616 -0.018,617 0.014,618 2.461,619 7.135,620 0.458,621 58.583,622 0.999,623 1.138,624 1.656,625 2.742,626 0.623,627 3.951,628 4.277,629 4.466,630 4.691,631 4.812,632 4.86,633 4.97,634 5.075,635 5.17,636 5.22,637 8.716,638 0.585,639 664.94,640 3.951,641 5.501,642 6.326,643 7.2,644 8.043,645 8.92,646 9.772,647 10.651,648 11.51,649 12.39,650 6,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 100,677 16,678 1,679 51,680 103,681 36,682 9,683 1,684 5,686 4,687 4,690 3,694 7,695 2,697 14,698 15,699 21,700 3,701 5,702 1,704 4,706 1,708 4,713 52,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 2,740 2,741 1,744 1,745 1,750 1,751 1,753 4,756 4,759 48,762 1,763 9,764 3,765 1,767 7,768 1,769 1,772 6,773 1,775 4,777 1,778 26.417,779 18.183,780 10.569,781 6.132,783 1.022,784 1.132,785 0.899,786 13.683,787 8.775,788 4.135,789 4.572,790 4.899,791 5.264,792 5.465,793 5.457,794 5.665,795 5.869,796 6.006,797 6.088,798 0.889,799 70,800 18.192,801 7.987,802 7.866,803 34.284,804 28.602,805 2.366,806 113.583,809 553.242,810 174.792,811 90.728,813 154.263,816 174.792,817 707.505,818 90.728,819 34.872,820 95.734,821 108.588,822 151.869,823 33.728,824 18.534,825 529.7,827 553.242,828 265.52,829 154.263,831 376.675,832 288.146,833 42.683,835 134.604,836 104.654,837 26.262,839 553.242,840 244.991,841 174.792,844 553.242,845 49.63,846 112.52,847 70.818,848 186.815,849 553.242,850 244.991,851 174.792,852 0.582,853 0.324,854 0.172,855 0.087,856 29,857 16,858 0.155,859 16,861 1,862 5.224,863 508.103,865 22,866 255.323,870 37.621,871 17.458,872 11.171,874 228.205,875 12.367,876 4.268,877 2.88,879 1.35,880 113.501,881 973.024,882 61.5,883 3.842,885 54.002,887 1.7,889 -2.035,891 99.897,892 113.796,893 0.227,894 0.557,895 0.782,896 0.864,897 0.883,898 0.883,899 5.406,900 2.358,901 6.337,902 6.844,903 4.963,904 5.26,905 3.4,906 7.141,907 4.907,908 6.57,909 2.064,910 7.901,911 6.727,912 4.691,913 4.997,914 2.895,915 8.138,916 4.607,917 7.85,918 1.937,919 9.566,920 5.978,921 6.589,922 7.162,923 4.511,924 11.151,925 6.47,926 9.155,927 1.644,928 11.291,929 5.584,930 7.099,931 7.645,932 4.618,933 12.919,934 6.941,935 10.49,936 1.516,937 13.051,938 4.716,939 8.506,940 9.325,941 5.799,942 15.497,943 8.317,944 11.843,945 1.426,946 14.837,947 3.73,948 9.353,949 10.136,950 6.177,951 17.582,952 9.121,953 13.21,954 1.298,955 16.64,956 3.143,957 10.58,958 11.621,959 7.162,960 20.015,961 10.318,962 3.225,963 1.155,964 18.456,965 3.045,966 11.581,967 12.592,968 7.686,969 22.244,970 11.275,971 3.136,972 11.013,973 20.284,974 2.739,975 12.743,976 13.984,977 8.568,978 24.627,979 12.404,980 2.947,981 10.161,982 22.119,983 3.509,984 13.815,985 15.045,986 9.179,987 26.925,988 13.434,989 2.803,990 9.293,991 23.963,992 3.472,993 14.955,994 16.387,995 10.006,996 29.293,997 14.541,998 2.685,999 8.904,1000 25.812,1001 3.439,1002 16.061,1003 17.501,1004 10.67,1005 31.627,1006 15.608,1007 2.441,1008 8.391,1009 27.667,1010 3.236,1011 17.197,1012 18.813,1013 11.466,1014 33.994,1015 16.709,1016 2.418,1017 7.113,1018 29.527,1019 3.157,1020 18.322,1021 19.962,1022 12.165,1023 36.347,1024 17.796,1025 36609,1026 56877,1027 32.709,1028 62.273,1029 77.173,1030 79.2,1031 77.813,1032 75.449,1033 75.467,1034 87.936,1035 19.384,1036 215.571,1037 73.481,1038 5.313,1039 5.905,1040 6.592,1041 5.274,1042 5.225,1043 6.509,1044 3.892,1045 18.553,1046 5.142,1047 30.723,1048 1.513,1049 1.553,1050 1.526,1051 1.479,1052 1.48,1053 1.724,1054 0.38,1055 4.227,1056 1.441,1057 4.022,1058 4.07,1059 3.94,1060 3.897,1061 7.44,1062 3.897,1063 3.928,1064 3.974,1065 3.852,1066 3.836,1067 7.429,1068 3.832,1069 3.904,1070 3.952,1071 3.837,1072 3.74,1073 7.426,1074 3.753,1075 3.862,1076 3.916,1077 3.737,1078 3.732,1079 7.423,1080 3.733,1081 3.754,1082 3.794,1083 3.671,1084 3.567,1085 6.448,1086 3.576,1087 3.696,1088 3.749,1089 3.604,1090 3.492,1091 4.988,1092 3.512,1093 3.599,1094 3.654,1095 3.489,1096 3.428,1097 4.756,1098 3.433,1099 3.462,1100 3.517,1101 3.346,1102 3.279,1103 4.715,1104 3.29,1105 0.085,1106 0.077,1107 0.133,1108 0.082,1109 0.063,1110 4.313,1111 0.069,1112 3.905,1113 0.043,1114 6.791,1115 0.216,1116 4.2,1117 0.062,1118 3.225,1119 3.509,1120 2.189,1121 11.013,1122 3.142,1123 1.926,1124 1.896,1125 2.126,1126 2.059,1127 1.536,1128 2.082,1129 1.915,1130 1.865,1131 2.056,1132 2.026,1133 1.309,1134 2.035,1135 1.754,1136 1.71,1137 1.947,1138 1.937,1139 1.241,1140 1.936,1141 1.708,1142 1.663,1143 1.935,1144 1.906,1145 1.144,1146 1.915,1147 1.693,1148 1.644,1149 1.876,1150 1.864,1151 1.118,1152 1.877,1153 1.631,1154 1.58,1155 1.818,1156 1.84,1157 1.088,1158 1.832,1159 1.533,1160 1.486,1161 1.711,1162 1.741,1163 0.904,1164 1.733,1165 1.42,1166 1.36,1167 1.66,1168 1.694,1169 0.892,1170 1.671,1171 4.635,1173 5.958,1174 3.045,1175 7.445,1176 5.352,1177 9.002,1178 7.391,1179 10.6,1180 6.894,1184 11.692,1185 6.417,1186 8.562,1187 5.437,1189 -4.599,1190 1.589,1191 -0.782,1192 58.534,1193 150.826,1194 370.136,1195 519.659,1196 574.082,1197 586.347,1198 586.347,1199 198.901,1200 7.753,1201 165.75,1202 165.75,1203 22,1204 12.931,1205 4.087,1206 3.524,1207 96.792,1208 244,1209 242,1210 0.181,1211 361.99,1212 652.46,1213 875.017,1214 22459,1216 34.846,1217 0.726,1218 0.596,1219 34.846,1220 28.614,1221 22.84,1222 0.448,1223 0.334,1224 16.812,1225 21.95,1226 16.32,1227 13.586,1228 22.84,1229 17.034,1230 21.323,1231 0.3,1232 0.199,1233 21.323,1234 14.154,1235 16.223,1236 0.189,1237 0.108,1238 16.223,1239 9.285,1240 13.189,1241 0.122,1242 0.062,1243 13.189,1244 6.716,1245 9.514,1246 0.078,1247 0.037,1248 9.514,1249 4.518,1250 0.282,1251 143.487,1252 0.175,1253 40.946,1254 0.505,1255 244,1256 693.449,1257 271.904,1258 658.31,1259 868.13,1260 610,1261 279,1262 611.978,1263 305.193,1264 614.503,1265 887.58,1266 575,1267 6.783} {0 CHEMBL170320,1 1.374,2 9.28,3 5.029,4 25.291,5 104.946,6 7.03,7 0.222,8 3.994,9 4.1,10 3.552,11 3.606,12 4.999,13 3.527,14 4.566,15 4.729,16 3.948,17 4.041,18 5.53,19 3.913,20 4.871,21 5.088,22 4.013,23 4.179,24 5.733,25 4.002,26 4.895,27 5.124,28 4.131,29 4.108,30 5.953,31 3.969,32 4.819,33 4.996,34 3.956,35 4.116,36 5.848,37 4.002,38 4.928,39 5.115,40 4.004,41 4.132,42 6.048,43 4.045,44 5.06,45 5.275,46 3.774,47 4.087,48 6.136,49 3.944,50 4.874,51 5.177,52 3.262,53 3.878,54 5.592,55 3.609,56 0.043,57 0.648,58 12.148,59 5.74,60 8.949,61 7.197,62 0.191,63 1.134,64 24.759,65 10.532,66 25.271,67 13.027,68 0.192,69 1.496,70 37.642,71 14.452,72 29.509,73 17.442,74 0.569,75 1.461,76 41.279,77 13.902,78 72.126,79 16.585,80 0.315,81 1.372,82 35.267,83 12.768,84 50.024,85 15.007,86 0.308,87 1.449,88 32.175,89 12.423,90 59.418,91 15.827,92 0.68,93 1.558,94 39.857,95 13.469,96 102.405,97 16.513,98 0.392,99 1.359,100 35.169,101 12.666,102 57.175,103 16.644,104 19,105 37,106 0.234,107 0.553,108 0.721,109 0.797,110 0.806,111 0.806,112 3.267,113 1.118,114 -5.8,115 -5.66,116 -5.28,117 41.2,118 2,119 5,120 1,125 2,131 1,132 1,133 2,135 5,136 1,145 1,154 12,156 1,157 4,162 2,163 19,167 2,174 9,178 8,181 2,183 3,186 13,190 5,194 3,197 10,201 10,206 6,208 14,212 5,217 3,220 12,231 10,243 14,246 935,247 16.706,248 16.706,249 16.706,250 16.706,251 16.706,252 15.382,253 10.634,254 10.066,255 17.007,256 13.366,257 13.366,258 13.366,259 13.366,260 13.366,261 11.349,262 10.914,263 4.82,264 13.894,265 4.298,266 2.42,267 1.433,268 0.986,269 0.932,270 0.932,271 3.944,274 1,275 1,276 492,277 3.317,279 78.912,280 179.664,285 1.709,286 25.392,288 0.75,289 0.83,290 1,291 1,292 1,293 1,294 1,295 0.94,296 53,297 232,298 4.499,299 4.618,300 6.747,301 4.133,302 3.171,303 3.977,304 3.272,305 10.956,306 3.042,307 4.101,308 3.76,309 6.13,310 3.742,311 2.779,312 3.584,313 1.674,314 9.028,315 2.687,316 3.597,317 3.191,318 5.479,319 3.46,320 2.519,321 2.686,323 7.271,324 2.349,325 3.355,326 2.902,327 5.078,328 3.239,329 2.25,330 2.521,332 6.048,333 2.221,334 3.269,335 2.516,336 4.879,337 2.851,338 1.879,339 2.344,341 5.225,342 1.822,343 3.198,344 2.104,345 4.549,346 2.819,347 1.861,348 2.248,350 4.714,351 1.751,352 2.754,353 1.956,354 4.282,355 2.55,356 1.601,357 1.783,359 3.948,360 1.494,361 2.552,362 1.644,363 3.553,364 2.128,365 1.167,366 1.508,368 2.702,369 1.107,370 2.5,371 1.258,372 3.399,373 2,374 1.023,375 1.5,377 2.417,378 1,379 2.117,380 1.148,381 3.247,382 1.989,383 1,384 1.104,386 2.136,387 0.978,388 1.618,389 1,390 3,391 1.618,392 0.618,393 0.618,395 1.372,396 0.618,397 1.339,398 0.618,399 2.971,400 1.003,401 0.022,402 0.025,404 0.061,405 0.021,406 0.984,407 0.501,408 2.653,409 0.659,410 -0.236,411 -0.236,413 -0.637,414 -0.209,415 0.765,416 0.186,417 2.528,418 0.581,419 -0.347,420 -0.435,422 -0.898,423 -0.32,424 0.761,425 -0.003,426 2.308,427 0.344,428 -0.645,429 -0.817,431 -1.464,432 -0.632,433 12.333,434 0.493,435 0.63,436 0.025,437 25,438 1,439 10.5,440 0.42,441 14.5,442 0.58,443 28.616,444 1.145,445 27.867,446 0.546,447 15.672,448 0.627,449 3.905,450 0.156,451 8.136,452 0.325,453 0.135,455 0.324,459 0.773,460 1.056,461 0.833,462 0.987,463 0.717,464 1,465 0.543,466 1.122,467 1.028,468 1.14,469 0.437,470 1.063,471 0.784,472 1.161,473 1.253,474 1.26,475 0.687,476 1.076,477 0.929,478 0.917,479 1.04,480 1.059,481 0.861,482 0.799,483 1.566,484 1.129,485 1.437,486 1.259,487 1.489,488 1.064,489 1.61,490 1.15,491 0.873,492 1.005,493 1.674,494 1.076,495 2.458,496 0.933,497 1.168,498 0.85,499 2.572,500 1.069,501 1.038,502 0.793,503 0.967,504 0.802,505 1.069,506 0.91,507 5,508 0.048,509 2.222,510 2.035,511 1.231,512 1.431,513 0.607,514 0.427,515 0.162,516 0.107,517 6578,518 14298,519 2.038,520 51,521 11,522 8,525 1,527 6,529 1.686,530 1.899,531 3.136,532 -0.396,535 70.089,536 1.374,537 3.252,538 4.239,539 4.687,540 4.741,541 4.741,542 2.699,543 4.004,544 4.612,545 3.353,546 1005.97,547 8.009,548 12053.2,550 1,552 289.294,553 1.44,554 4.569,555 0.185,556 0.003,557 0.06,558 0.057,559 0.032,560 0.037,561 0.015,562 0.016,563 0.011,564 0.007,565 0.422,566 0.33,567 0.88,568 0.98,569 119.216,570 -0.029,571 0.053,572 0.06,573 0.072,574 -0.041,575 0.052,576 0.173,577 -0.041,578 0.048,579 -0.018,580 0.158,581 -0.017,582 0.023,583 -0.113,584 -0.012,585 -0.094,586 0.021,587 -0.046,588 0.304,589 0.102,590 0.248,591 0.077,592 0.268,593 0.195,594 -0.16,595 -0.08,596 -0.219,597 -0.138,598 -0.105,599 -0.073,600 -0.105,601 -0.185,602 -0.072,603 -0.151,604 -0.025,605 -0.144,606 -0.412,607 -0.009,608 -0.271,609 -0.014,610 -0.393,611 -0.19,612 -0.123,613 0.123,614 -0.026,615 0.112,616 -0.123,617 0.044,618 2.074,619 5.691,620 0.68,621 22.336,622 0.991,623 1.117,624 4.571,625 20.894,626 0.665,627 3.332,628 3.638,629 3.871,630 4.159,631 4.29,632 4.407,633 4.443,634 4.511,635 4.533,636 4.394,637 5.708,638 0.611,639 358.54,640 3.332,641 4.86,642 5.694,643 6.569,644 7.425,645 8.31,646 9.174,647 10.063,648 10.933,649 11.825,662 5,666 1,667 6,676 51,677 9,678 1,679 27,680 53,681 21,682 6,683 1,684 5,685 5,686 3,687 3,690 2,694 5,697 7,698 11,699 10,700 1,701 3,704 1,706 1,708 4,713 26,714 3,715 1,716 4,717 1,721 1,722 3,731 1,732 2,743 1,745 3,746 1,751 1,753 3,754 1,755 1,756 2,759 25,762 1,763 5,765 1,766 1,767 3,772 5.9,774 1,775 1,777 1,778 13.167,779 9.45,780 5.528,781 3.418,783 1.795,784 1.263,785 0.917,786 6.161,787 8.618,788 3.526,789 4.016,790 4.486,791 4.974,792 5.386,793 5.585,794 5.884,795 6.155,796 6.435,797 6.555,798 1,799 36,800 9.359,801 4.003,802 7.667,803 18.27,804 15.431,805 2.167,806 54.167,808 1,809 294.278,810 138.206,813 78.828,815 32.22,816 105.986,817 373.106,819 17.65,820 12.673,821 56.857,822 80.263,823 17.371,825 326.497,827 294.278,828 105.986,829 78.828,830 32.22,831 223.651,832 149.455,835 30.323,836 60.944,837 14.72,838 32.22,839 294.278,840 78.828,841 138.206,844 294.278,845 63.698,846 74.508,848 78.828,849 294.278,850 78.828,851 138.206,852 0.575,853 0.323,854 0.187,855 0.097,856 17,857 8,858 0.113,859 6,861 1,862 3.629,863 204.969,865 17,866 106.096,867 1,870 18.441,871 8.353,872 4.634,874 78.828,875 9.425,879 0.797,880 42.683,881 511.312,882 33,885 12.691,887 1.592,889 0.507,891 50.545,892 56.946,893 0.242,894 0.573,895 0.747,896 0.826,897 0.836,898 0.836,899 4.775,900 1.167,901 5.673,902 3.948,903 4.317,904 4.7,905 3.333,906 6.469,907 4.237,908 5.943,909 1.023,910 7.219,911 2.702,912 3.892,913 4.388,915 7.349,916 3.756,917 7.229,918 1,919 8.868,920 2.417,921 5.883,922 6.723,923 5.506,924 10.47,925 5.721,926 8.549,927 0.618,928 10.579,929 2.136,930 6.275,931 7.228,933 12.217,934 6.059,935 9.903,936 0.022,937 12.333,938 1.372,939 7.741,940 9.068,941 7.824,942 14.854,943 7.497,944 11.284,945 -0.236,946 14.117,947 0.061,948 8.52,949 9.972,951 16.965,952 8.225,953 12.685,954 -0.347,955 15.924,956 -0.637,957 9.776,958 11.589,959 10.182,960 19.434,961 9.45,962 3.171,963 -0.645,964 17.748,965 -0.898,966 10.742,967 12.702,969 21.701,970 10.368,971 2.779,972 10.956,973 19.586,974 -1.464,975 11.916,976 14.204,977 12.55,978 24.111,979 11.507,980 2.519,981 9.028,982 21.434,983 3.977,984 12.971,985 15.429,987 26.444,988 12.517,989 2.25,990 7.271,991 23.292,992 3.584,993 14.116,994 16.87,995 14.92,996 28.835,997 13.624,998 1.879,999 6.048,1000 25.157,1001 2.686,1002 15.214,1003 18.157,1005 31.198,1006 14.679,1007 1.861,1008 5.225,1009 27.028,1010 2.521,1011 16.351,1012 19.565,1013 17.29,1014 33.585,1015 15.777,1016 1.601,1017 4.714,1018 28.905,1019 2.344,1020 17.471,1021 20.887,1023 35.962,1024 16.854,1025 6450,1026 9694,1027 17.8,1028 33.909,1029 40.462,1030 43.3,1031 40.849,1032 39.953,1033 39.784,1034 47.797,1035 9.894,1036 111.757,1037 38.177,1038 5.483,1039 6.618,1040 6.549,1041 5.284,1042 5.171,1043 6.977,1044 6.545,1045 17.836,1046 5.042,1047 12.23,1048 1.499,1049 1.604,1050 1.513,1051 1.48,1052 1.473,1053 1.77,1054 0.366,1055 4.139,1056 1.414,1057 3.989,1058 4.006,1059 4.05,1060 3.922,1061 7.433,1062 3.913,1063 3.863,1064 3.906,1065 3.868,1066 3.812,1067 6.467,1068 3.774,1069 3.769,1070 3.811,1071 3.674,1072 3.666,1073 4.814,1074 3.659,1075 3.635,1076 3.674,1077 3.501,1078 3.501,1079 4.489,1080 3.495,1081 3.202,1082 3.249,1083 3.296,1084 3.139,1085 4.291,1086 3.087,1087 2.977,1088 3.009,1089 2.973,1090 2.841,1091 4.202,1092 2.807,1093 2.889,1094 2.985,1095 2.858,1096 2.735,1097 3.785,1098 2.715,1099 2.874,1100 2.979,1101 2.687,1102 2.671,1103 3.674,1104 2.64,1105 0.167,1106 0.171,1107 0.25,1108 0.153,1109 0.117,1110 4.499,1111 0.147,1112 4.618,1113 0.121,1114 6.747,1115 0.406,1116 4.133,1117 0.113,1118 3.171,1119 3.977,1120 3.272,1121 10.956,1122 3.042,1123 1.937,1124 1.92,1125 2.041,1126 2.028,1127 1.357,1128 2.031,1129 1.809,1130 1.779,1131 1.996,1132 1.921,1133 1.211,1134 1.954,1135 1.617,1136 1.578,1137 1.86,1138 1.781,1139 1.193,1140 1.793,1141 1.577,1142 1.51,1143 1.787,1144 1.751,1145 1.112,1146 1.787,1147 1.554,1148 1.507,1149 1.735,1150 1.689,1151 0.912,1152 1.727,1153 1.173,1154 1.124,1155 1.428,1156 1.338,1157 0.612,1158 1.381,1159 0.934,1160 0.837,1161 1.417,1162 1.239,1163 0.469,1164 1.308,1165 0.886,1166 0.821,1167 1.181,1168 1.117,1169 0.253,1170 1.107,1171 4.007,1173 5.313,1174 2.398,1175 6.804,1176 4.443,1177 8.388,1178 6.26,1179 10.028,1180 4.304,1184 10.617,1185 5.796,1187 5.573,1188 1.844,1189 1.02,1192 31.18,1193 70.089,1194 165.854,1195 216.2,1196 239.029,1197 241.784,1198 241.784,1199 55.271,1200 6.823,1201 50.44,1202 75.74,1203 17,1204 12.357,1205 3.322,1206 2.807,1207 41.498,1208 83,1209 87,1210 0.243,1211 195.585,1212 352.92,1213 468.987,1214 7016,1216 17.811,1217 0.712,1218 0.629,1219 18.165,1220 15.72,1221 12.042,1222 0.446,1223 0.373,1224 9.148,1225 11.318,1226 8.781,1227 7.333,1228 12.45,1229 10.065,1230 10.937,1231 0.296,1232 0.236,1233 11.606,1234 8.732,1235 8.409,1236 0.179,1237 0.134,1238 9.151,1239 6.304,1240 7.536,1241 0.12,1242 0.085,1243 8.538,1244 5.377,1245 5.264,1246 0.073,1247 0.048,1248 6.066,1249 3.46,1250 0.371,1251 78.304,1252 0.237,1253 24.029,1254 0.697,1255 128,1256 330.481,1257 162.259,1258 338.171,1259 457.48,1260 316,1261 148,1262 317.997,1263 178.019,1264 332.752,1265 490.98,1266 314,1267 4.398} {0 CHEMBL170772,1 1.475,2 14.98,3 4.91,4 24.103,5 193.46,6 6.487,7 0.2,8 4.753,9 4.89,10 4.181,11 4.228,12 5.729,13 4.187,14 5.372,15 5.568,16 4.563,17 4.673,18 6.322,19 4.592,20 5.746,21 5.991,22 4.603,23 4.852,24 6.639,25 4.729,26 5.84,27 6.108,28 4.68,29 4.85,30 6.825,31 4.741,32 5.814,33 6.053,34 4.788,35 4.856,36 6.992,37 4.78,38 5.852,39 6.087,40 4.84,41 4.941,42 6.906,43 4.863,44 5.953,45 6.184,46 4.92,47 5.022,48 7.056,49 4.946,50 6.03,51 6.27,52 4.935,53 5.094,54 7.124,55 5.001,56 0.084,57 1.566,58 26.317,59 10.388,60 19.058,61 14.893,62 0.622,63 2.56,64 49.989,65 18,66 69.839,67 26.539,68 0.968,69 3.198,70 73.965,71 23.813,72 115.896,73 35.742,74 1.118,75 3.292,76 82.13,77 24.107,78 168.693,79 37.207,80 1.792,81 3.296,82 81.618,83 22.617,84 272.518,85 34.632,86 1.197,87 3.507,88 83.398,89 24.996,90 175.154,91 37.536,92 1.371,93 3.802,94 92.761,95 27.397,96 223.087,97 40.919,98 1.956,99 4.136,100 100.613,101 28.916,102 286.754,103 43.987,104 69,105 76,106 0.213,107 0.493,108 0.7,109 0.808,110 0.844,111 0.85,112 3.954,113 1.04,114 -3.49,115 -3.46,116 -3.31,117 35.8,118 3,119 14,120 2,123 1,125 5,127 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 19,156 2,157 9,160 5,162 4,163 23,167 5,169 2,170 3,171 8,174 13,178 11,181 3,183 10,186 8,189 4,190 10,192 7,193 1,194 10,197 9,200 1,201 13,204 2,205 3,206 12,208 12,211 2,212 20,215 2,217 13,220 13,223 2,224 16,226 6,227 1,228 10,231 16,235 2,236 14,240 2,241 10,243 21,246 6858,247 33.86,248 33.86,249 33.86,250 33.86,251 33.86,252 31.967,253 33.766,254 20.267,255 34.342,256 27.2,257 27.2,258 27.2,259 27.2,260 27.2,261 24.259,262 41.32,263 9.732,264 27.949,265 5.293,266 3.345,267 1.915,268 1.166,269 0.911,270 0.874,271 4.647,276 1624,277 6.124,279 372.281,280 659.084,285 2.022,286 75.326,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 111,297 764,298 4.294,299 3.894,300 6.788,301 4.179,302 3.206,303 3.509,304 2.189,305 11.033,306 3.117,307 4.177,308 3.846,309 6.448,310 4.074,311 3.136,312 3.472,313 1.983,314 10.161,315 2.934,316 4.105,317 3.751,318 6.285,319 3.93,320 2.95,321 3.42,322 1.94,323 9.424,324 2.882,325 3.988,326 3.623,327 6.167,328 3.797,329 2.824,330 3.236,331 1.923,332 9.092,333 2.749,334 3.871,335 3.167,336 5.964,337 3.684,338 2.705,339 3.157,340 0.555,341 8.465,342 2.645,343 3.798,344 3,345 5.595,346 3.484,347 2.492,348 2.98,349 0.424,350 7.431,351 2.467,352 3.675,353 2.754,354 5.312,355 3.413,356 2.435,357 2.75,358 0.3,359 6.845,360 2.394,361 3.5,362 2.724,363 5.288,364 3.362,365 2.378,366 2.538,367 0.114,368 6.737,369 2.316,370 3.419,371 2.703,372 5.228,373 3.156,374 2.172,375 2.503,377 6.318,378 2.129,379 3.24,380 2.464,381 4.89,382 3.035,383 2.045,384 2.257,386 5.601,387 1.989,388 2.93,389 2.067,390 4.666,391 2.67,392 1.698,393 2.085,395 4.588,396 1.647,397 2.757,398 1.969,399 4.224,400 2.519,401 1.52,402 1.785,404 3.716,405 1.515,406 2.646,407 1.92,408 3.949,409 2.435,410 1.439,411 1.653,413 3.162,414 1.432,415 2.52,416 1.804,417 3.823,418 2.353,419 1.372,420 1.5,422 3.119,423 1.336,424 2.5,425 1.491,426 3.658,427 2.196,428 1.191,429 1.472,431 2.874,432 1.189,433 23.9,434 0.469,435 1.381,436 0.027,437 48.5,438 0.951,439 16,440 0.314,441 32.5,442 0.637,443 75.862,444 1.487,445 60.1,446 0.551,447 47.169,448 0.925,449 8.184,450 0.16,451 16.28,452 0.319,453 0.132,454 0.021,455 0.289,459 0.772,460 1.488,461 0.937,462 1.283,463 0.611,464 1.15,465 0.59,466 1.306,467 0.959,468 1.242,469 0.506,470 1.167,471 1.043,472 1.096,473 1.086,474 1.113,475 0.903,476 1.107,477 1.145,478 1.021,479 0.924,480 0.947,481 1.228,482 0.906,483 1.324,484 0.957,485 1.025,486 0.898,487 1.464,488 0.91,489 1.305,490 1.036,491 1.006,492 0.997,493 1.419,494 0.959,495 1.476,496 1.088,497 1.053,498 1.017,499 1.587,500 0.979,501 1.398,502 0.959,503 1.115,504 0.918,505 1.473,506 0.963,507 11,508 0.523,509 4.889,510 3.757,511 2.743,512 1.931,513 1.789,514 1.194,515 1.023,516 0.878,517 46579,518 100863,519 2.033,520 53.2,521 17,522 12,523 1,524 1,525 5,526 3,527 19,529 1.866,530 1.895,531 3.815,532 1.968,535 160.819,536 1.475,537 3.423,538 4.853,539 5.603,540 5.857,541 5.894,542 3.209,543 4.937,544 5.645,545 4.033,546 5142.3,547 10.109,548 105813,552 737.732,553 1.517,554 5.594,555 0.2,556 0.005,557 0.064,558 0.051,559 0.034,560 0.022,561 0.019,562 0.012,563 0.01,564 0.008,565 0.425,566 0.17,567 0.5,568 0.975,569 305.895,570 -0.045,571 -0.111,572 0.039,573 -0.015,574 -0.026,575 0.02,576 0.196,577 -0.089,578 0.018,579 -0.099,580 0.103,581 -0.076,582 -0.032,583 -0.046,584 -0.088,585 -0.091,586 -0.046,587 -0.099,588 -0.008,589 -0.051,590 0.09,591 0.011,592 0.001,593 0.06,594 0.107,595 0.069,596 0.041,597 0.053,598 0.115,599 0.038,600 -0.034,601 0.009,602 0.033,603 -0.001,604 -0.038,605 0.024,606 -0.082,607 -0.066,609 -0.023,610 -0.049,611 -0.002,612 -0.043,613 0.073,614 -0.063,615 0.051,616 -0.028,617 -0.001,618 2.411,619 7.278,620 0.549,621 66.616,622 0.996,623 1.138,624 2.255,625 5.087,626 0.62,627 4.025,628 4.344,629 4.543,630 4.787,631 4.92,632 4.984,633 5.142,634 5.247,635 5.338,636 5.416,637 9.228,638 0.579,639 707.03,640 4.025,641 5.572,642 6.399,643 7.27,644 8.113,645 8.989,646 9.842,647 10.721,648 11.58,649 12.46,650 5.5,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 109,677 15,678 1,679 55,680 113,681 39,682 9,683 1,684 5,686 5,687 5,690 3,694 12,695 2,697 19,698 13,699 26,700 3,701 4,704 4,708 4,713 58,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 3,740 2,741 1,750 1,751 1,753 5,756 3,759 51,762 1,763 15,764 3,765 1,767 7,768 1,769 1,772 5.5,773 1,775 4,777 1,778 26.917,779 19.35,780 11.153,781 7.171,783 0.89,784 1.11,785 0.912,786 14.407,787 8.989,788 4.182,789 4.613,790 4.935,791 5.309,792 5.503,793 5.503,794 5.752,795 5.948,796 6.071,797 6.167,798 0.9,799 74,800 19.394,801 8.569,802 7.766,803 37.192,804 31.699,805 2.266,806 115.583,809 623.868,810 155.931,811 90.728,813 154.263,816 155.931,817 778.131,818 90.728,819 26.476,820 94.746,821 99.112,822 151.869,823 33.728,824 18.534,825 600.326,827 623.868,828 246.658,829 154.263,831 400.217,832 335.231,833 42.683,835 149.382,836 80.491,837 16.786,839 623.868,840 244.991,841 155.931,844 623.868,845 64.408,846 94.647,847 70.818,848 171.048,849 623.868,850 244.991,851 155.931,852 0.58,853 0.32,854 0.173,855 0.088,856 32,857 16,858 0.142,859 16,861 1,862 5.532,863 558.632,865 28,866 272.539,870 39.276,871 18.708,872 11.783,874 228.205,875 12.477,876 4.304,877 2.906,879 1.384,880 113.501,881 1024.79,882 64.5,885 54.875,889 -1.794,891 108.548,892 124.041,893 0.218,894 0.506,895 0.717,896 0.828,897 0.865,898 0.871,899 5.454,900 2.378,901 6.395,902 6.845,903 5.03,904 5.301,905 3.381,906 7.191,907 4.977,908 6.603,909 2.172,910 7.948,911 6.737,912 4.691,913 4.997,914 2.895,915 8.165,916 4.607,917 7.878,918 2.045,919 9.604,920 6.318,921 6.64,922 7.18,923 4.505,924 11.191,925 6.522,926 9.177,927 1.698,928 11.323,929 5.601,930 7.107,931 7.645,932 4.617,933 12.962,934 6.947,935 10.507,936 1.52,937 13.08,938 4.588,939 8.542,940 9.333,941 5.797,942 15.541,943 8.354,944 11.857,945 1.439,946 14.864,947 3.716,948 9.363,949 10.134,950 6.175,951 17.629,952 9.127,953 13.221,954 1.372,955 16.667,956 3.162,957 10.603,958 11.621,959 7.16,960 20.061,961 10.337,962 3.206,963 1.191,964 18.484,965 3.119,966 11.587,967 12.587,968 7.684,969 22.291,970 11.273,971 3.136,972 11.033,973 20.312,974 2.874,975 12.751,976 13.979,977 8.566,978 24.673,979 12.406,980 2.95,981 10.161,982 22.149,983 3.509,984 13.812,985 15.035,986 9.177,987 26.971,988 13.42,989 2.824,990 9.424,991 23.993,992 3.472,993 14.951,994 16.377,995 10.003,996 29.339,997 14.524,998 2.705,999 9.092,1000 25.843,1001 3.42,1002 16.049,1003 17.487,1004 10.668,1005 31.671,1006 15.579,1007 2.492,1008 8.465,1009 27.698,1010 3.236,1011 17.182,1012 18.799,1013 11.464,1014 34.038,1015 16.674,1016 2.435,1017 7.431,1018 29.558,1019 3.157,1020 18.299,1021 19.945,1022 12.162,1023 36.39,1024 17.751,1025 44493,1026 65809,1027 36.175,1028 67.558,1029 82.685,1030 85.053,1031 83.052,1032 81.574,1033 81.611,1034 93.403,1035 18.86,1036 230.543,1037 79.596,1038 5.294,1039 5.894,1040 6.59,1041 5.253,1042 5.206,1043 6.509,1044 3.892,1045 18.584,1046 5.117,1047 28.352,1048 1.503,1049 1.546,1050 1.51,1051 1.483,1052 1.484,1053 1.698,1054 0.343,1055 4.192,1056 1.447,1057 4.035,1058 4.085,1059 3.947,1060 3.905,1061 7.44,1062 3.904,1063 3.935,1064 3.985,1065 3.857,1066 3.841,1067 7.429,1068 3.837,1069 3.906,1070 3.952,1071 3.838,1072 3.767,1073 7.426,1074 3.762,1075 3.878,1076 3.936,1077 3.749,1078 3.732,1079 7.423,1080 3.745,1081 3.767,1082 3.821,1083 3.671,1084 3.638,1085 6.448,1086 3.63,1087 3.754,1088 3.793,1089 3.636,1090 3.567,1091 4.988,1092 3.576,1093 3.682,1094 3.734,1095 3.583,1096 3.48,1097 4.754,1098 3.501,1099 3.573,1100 3.629,1101 3.467,1102 3.384,1103 4.568,1104 3.395,1105 0.078,1106 0.071,1107 0.123,1108 0.076,1109 0.058,1110 4.294,1111 0.064,1112 3.894,1113 0.04,1114 6.788,1115 0.201,1116 4.179,1117 0.057,1118 3.206,1119 3.509,1120 2.189,1121 11.033,1122 3.117,1123 1.926,1124 1.896,1125 2.126,1126 2.06,1127 1.536,1128 2.082,1129 1.915,1130 1.865,1131 2.094,1132 2.03,1133 1.486,1134 2.054,1135 1.874,1136 1.818,1137 2.056,1138 2.026,1139 1.303,1140 2.035,1141 1.749,1142 1.705,1143 1.947,1144 1.936,1145 1.241,1146 1.934,1147 1.701,1148 1.654,1149 1.922,1150 1.905,1151 1.141,1152 1.914,1153 1.677,1154 1.632,1155 1.856,1156 1.852,1157 1.118,1158 1.857,1159 1.533,1160 1.486,1161 1.724,1162 1.741,1163 1.069,1164 1.734,1165 1.457,1166 1.385,1167 1.708,1168 1.695,1169 0.902,1170 1.693,1171 4.71,1173 6.028,1174 3.045,1175 7.514,1176 5.283,1177 9.072,1178 7.273,1179 10.671,1180 5.232,1184 11.911,1185 12.811,1186 8.7,1187 5.466,1189 -3.883,1190 1.97,1191 -0.775,1192 63.114,1193 160.819,1194 373.103,1195 529.025,1196 610.673,1197 638.448,1198 642.448,1199 188.615,1200 8.1,1201 165.75,1202 165.75,1203 28,1204 13.001,1205 4,1206 3.392,1207 92.359,1208 276,1209 303,1210 0.153,1211 386.301,1212 694.64,1213 934.336,1214 36521,1216 36.382,1217 0.713,1218 0.599,1219 36.382,1220 30.572,1221 24.463,1222 0.445,1223 0.347,1224 18.852,1225 23.581,1226 18.402,1227 15.249,1228 24.463,1229 19.07,1230 22.699,1231 0.299,1232 0.208,1233 22.699,1234 15.778,1235 17.315,1236 0.186,1237 0.115,1238 17.315,1239 10.652,1240 14.556,1241 0.122,1242 0.067,1243 14.556,1244 8.028,1245 10.58,1246 0.078,1247 0.041,1248 10.58,1249 5.615,1250 0.239,1251 153.145,1252 0.166,1253 43.089,1254 0.423,1255 262,1256 703.449,1257 290.237,1258 666.724,1259 885.28,1260 620,1261 300,1262 628.33,1263 326.526,1264 628.334,1265 912.09,1266 591,1267 6.62} {0 CHEMBL170804,1 1.392,2 10.63,3 4.839,4 23.414,5 111.344,6 7.725,7 0.4,8 3.979,9 4.069,10 3.626,11 3.645,12 5.059,13 3.582,14 4.478,15 4.609,16 3.932,17 4.013,18 5.544,19 3.905,20 4.728,21 4.914,22 4.054,23 4.126,24 5.692,25 3.996,26 4.793,27 4.975,28 4.197,29 4.115,30 5.94,31 3.987,32 4.772,33 4.948,34 3.976,35 4.081,36 5.839,37 3.969,38 4.784,39 4.948,40 3.951,41 4.043,42 5.947,43 3.973,44 4.808,45 5.012,46 3.848,47 4.024,48 5.909,49 3.914,50 4.674,51 4.882,52 3.712,53 3.953,54 5.685,55 3.807,56 0.03,57 0.581,58 10.059,59 5.084,60 8.034,61 6.153,62 0.156,63 0.992,64 20.713,65 9.185,66 21.799,67 10.909,68 0.131,69 1.279,70 28.321,71 11.891,72 26.168,73 14.242,74 0.498,75 1.366,76 35.528,77 12.968,78 65.871,79 14.435,80 0.315,81 1.326,82 34.398,83 12.595,84 52.423,85 13.671,86 0.321,87 1.261,88 27.154,89 10.808,90 58.123,91 12.411,92 0.376,93 1.313,94 29.198,95 11.43,96 70.439,97 13.633,98 0.228,99 1.188,100 26.657,101 10.767,102 46.324,103 13.123,104 5,105 41,106 0.235,107 0.564,108 0.698,109 0.797,110 0.837,111 0.843,112 3.34,113 1.033,114 -6,115 -5.85,116 -5.45,117 46.9,119 3,120 1,123 1,125 1,131 1,132 1,133 2,135 10,136 2,145 1,154 16,156 1,157 4,162 2,163 20,167 2,174 12,178 8,181 2,183 3,186 13,190 5,194 3,197 10,201 8,206 5,208 15,212 5,217 3,220 16,224 4,228 2,231 16,236 2,241 1,243 15,246 1208,247 18.568,248 18.568,249 18.568,250 18.568,251 18.568,252 16.492,253 12.419,254 11.188,255 18.867,256 14.849,257 14.849,258 14.849,259 14.849,260 14.849,261 11.788,262 13.056,263 5.367,264 15.338,265 4.223,266 2.27,267 1.474,268 0.888,269 0.653,270 0.612,271 4.029,274 1,275 1,276 629,277 3.082,278 56.58,280 298.782,285 1.717,286 25.404,287 1,288 0.75,289 0.83,290 1,291 0.8,292 0.5,293 1,294 1,295 0.84,296 57,297 287,298 4.498,299 4.52,300 6.744,301 4.134,302 3.17,303 3.977,304 3.52,305 10.937,306 3.047,307 4.102,308 3.731,309 6.129,310 3.764,311 2.791,312 3.585,313 1.674,314 9.023,315 2.72,316 3.896,317 3.1,318 5.566,319 3.604,320 2.607,321 3.443,322 0.57,323 7.556,324 2.597,325 3.678,326 2.902,327 5.348,328 3.5,329 2.515,330 2.723,332 6.983,333 2.477,334 3.34,335 2.611,336 5.002,337 2.95,338 2.019,339 2.573,341 5.714,342 1.871,343 3.257,344 2.545,345 4.879,346 2.842,347 1.879,348 2.34,350 5.225,351 1.781,352 3.017,353 2.189,354 4.433,355 2.651,356 1.699,357 2.141,359 4.288,360 1.593,361 2.859,362 1.945,363 3.645,364 2.464,365 1.474,366 1.944,368 3.135,369 1.455,370 2.586,371 1.432,372 3.545,373 2.061,374 1.095,375 1.549,377 2.672,378 1.048,379 2.5,380 1.257,381 3.247,382 2,383 1,384 1.5,386 2.136,387 1,388 2.5,389 1.112,390 3.247,391 2,392 1,393 1.5,395 2.136,396 1,397 1.757,398 1,399 3.154,400 1.501,401 0.632,402 0.689,404 1.497,405 0.532,406 1.416,407 1,408 3.133,409 1.228,410 0.24,411 0.258,413 0.63,414 0.234,415 1.089,416 0.564,417 2.653,418 0.723,419 -0.248,420 -0.278,422 -0.64,423 -0.228,424 0.902,425 0.405,426 2.599,427 0.572,428 -0.347,429 -0.438,431 -0.898,432 -0.321,433 13.333,434 0.494,435 0.554,436 0.021,437 32.5,438 1.204,439 16.5,440 0.611,441 16,442 0.593,443 24.825,444 0.919,445 28.067,446 0.573,447 22.048,448 0.817,449 5.861,450 0.217,451 7.343,452 0.272,453 0.05,455 0.3,459 0.76,460 0.914,461 0.758,462 0.864,463 0.696,464 0.864,465 0.59,466 1.17,467 1.157,468 1.226,469 0.497,470 1.117,471 0.848,472 1.057,473 1.006,474 1.067,475 0.774,476 0.984,477 1.029,478 1.055,479 1.149,480 1.178,481 0.973,482 0.954,483 1.612,484 1.04,485 1.476,486 1.208,487 1.521,488 0.981,489 1.908,490 1.047,491 1.004,492 0.958,493 2.03,494 1.023,495 1.7,496 0.866,497 0.923,498 0.791,499 1.774,500 0.921,501 1.145,502 1.037,503 1.07,504 1.026,505 1.161,506 1.067,507 4.5,508 0.057,509 2.5,510 1.653,511 1.267,512 0.996,513 0.758,514 0.367,515 0.163,516 0.161,517 9119,518 21832,519 2.142,520 44.9,521 5,522 14,525 1,527 2,529 1.705,530 2.051,531 3.334,532 -0.419,535 68.216,536 1.392,537 3.344,538 4.14,539 4.727,540 4.962,541 5.002,542 2.865,543 4.162,544 4.722,545 3.526,546 1237.59,547 8.224,548 15847.2,550 1,552 275.121,553 1.218,554 4.706,555 0.15,556 0.004,557 0.066,558 0.041,559 0.032,560 0.026,561 0.019,562 0.011,563 0.006,564 0.007,565 0.361,566 0.33,567 0.88,568 0.454,569 133.333,570 -0.037,571 0.07,572 0.056,573 0.083,574 -0.043,575 0.064,576 0.153,577 -0.162,578 -0.104,579 -0.163,580 0.122,581 -0.148,582 0.02,583 -0.057,584 0.076,585 -0.015,586 -0.001,587 0.005,588 0.281,589 -0.023,590 0.177,591 -0.019,592 0.221,593 0.034,594 -0.175,595 -0.013,596 -0.194,597 -0.077,598 -0.121,599 -0.011,600 -0.224,601 -0.091,602 -0.151,603 -0.087,604 -0.206,605 -0.126,606 -0.221,607 0.092,608 -0.05,609 0.095,610 -0.158,611 0.012,612 -0.112,613 -0.062,614 -0.107,615 -0.061,616 -0.076,617 -0.094,618 2.097,619 5.749,620 0.778,621 26.749,622 0.995,623 1.104,624 4.772,625 22.768,626 0.702,627 3.434,628 3.738,629 3.951,630 4.205,631 4.407,632 4.454,633 4.575,634 4.615,635 4.691,636 4.691,637 6.28,638 0.656,639 378.52,640 3.434,641 4.963,642 5.808,643 6.678,644 7.538,645 8.416,646 9.284,647 10.167,648 11.04,649 11.926,662 10,666 2,667 12,676 49,677 15,678 2,679 30,680 52,681 23,682 12,683 2,684 10,685 5,686 4,687 4,694 2,695 1,697 4,698 17,699 6,700 1,701 3,704 1,706 1,708 4,713 22,714 3,715 1,716 4,717 1,721 1,722 3,730 1,732 3,743 1,745 3,746 1,751 1,753 4,754 1,755 1,759 27,762 1,763 4,765 1,766 1,767 2,772 6.1,774 1,775 1,777 1,778 13.167,779 8.533,780 5.944,781 3.015,783 2.495,784 1.353,785 0.966,786 5.583,787 9.567,788 3.689,789 4.22,790 4.705,791 5.194,792 5.647,793 5.718,794 6.05,795 6.324,796 6.647,797 6.856,798 1,799 40,800 10.068,801 4.378,802 7.685,803 19.483,804 16.564,805 2.185,806 59,807 1,808 1,809 247.193,810 166.953,813 78.828,815 32.22,816 134.733,817 326.021,820 8.503,821 104.239,822 80.263,823 20.557,825 279.413,827 247.193,828 134.733,829 78.828,830 32.22,831 223.651,832 102.37,835 8.503,836 111.511,837 14.72,838 32.22,839 247.193,840 78.828,841 166.953,844 247.193,845 62.714,846 104.239,848 78.828,849 247.193,850 78.828,851 166.953,852 0.575,853 0.317,854 0.175,855 0.094,856 20,857 8,858 0.135,859 7,861 1,862 3.987,863 230.441,865 21,866 118.382,867 1,870 18.244,871 8.263,872 4.78,874 78.828,875 19.604,879 2,880 42.683,881 492.974,882 39,885 12.749,887 1.578,889 0.416,891 48.778,892 54.115,893 0.248,894 0.596,895 0.737,896 0.842,897 0.884,898 0.891,899 4.92,900 1.474,901 5.771,902 4.288,903 4.419,904 4.905,905 3.467,906 6.558,907 4.354,908 6.108,909 1.095,910 7.313,911 3.135,912 4.007,913 4.543,915 7.469,916 3.923,917 7.399,918 1,919 8.958,920 2.672,921 5.999,922 6.979,923 5.781,924 10.539,925 5.879,926 8.721,927 1,928 10.666,929 2.136,930 6.382,931 7.39,933 12.286,934 6.236,935 10.074,936 0.632,937 12.415,938 2.136,939 7.86,940 9.323,941 8.256,942 14.895,943 7.684,944 11.45,945 0.24,946 14.194,947 1.497,948 8.618,949 10.128,951 16.997,952 8.407,953 12.845,954 -0.248,955 15.994,956 0.63,957 9.883,958 11.814,959 10.763,960 19.451,961 9.643,962 3.17,963 -0.347,964 17.81,965 -0.64,966 10.828,967 12.841,969 21.709,970 10.546,971 2.791,972 10.937,973 19.641,974 -0.898,975 12.003,976 14.389,977 13.278,978 24.11,979 11.689,980 2.607,981 9.023,982 21.482,983 3.977,984 13.042,985 15.549,987 26.438,988 12.682,989 2.515,990 7.556,991 23.333,992 3.585,993 14.183,994 17.017,995 15.794,996 28.824,997 13.788,998 2.019,999 6.983,1000 25.191,1001 3.443,1002 15.269,1003 18.257,1005 31.183,1006 14.827,1007 1.879,1008 5.714,1009 27.056,1010 2.723,1011 16.402,1012 19.68,1013 18.311,1014 33.566,1015 15.92,1016 1.699,1017 5.225,1018 28.927,1019 2.573,1020 17.513,1021 20.968,1023 35.94,1024 16.985,1025 8555,1026 13382,1027 20.572,1028 34.387,1029 45.011,1030 48.392,1031 45.08,1032 44.266,1033 44.243,1034 56.445,1035 11.528,1036 123.865,1037 42.713,1038 5.481,1039 6.52,1040 6.546,1041 5.254,1042 5.17,1043 6.977,1044 7.04,1045 17.793,1046 5.047,1047 8.855,1048 1.5,1049 1.613,1050 1.503,1051 1.476,1052 1.475,1053 1.881,1054 0.384,1055 4.129,1056 1.424,1057 4.008,1058 4.031,1059 4.049,1060 3.943,1061 7.433,1062 3.93,1063 3.905,1064 3.937,1065 3.872,1066 3.853,1067 6.467,1068 3.84,1069 3.883,1070 3.92,1071 3.784,1072 3.81,1073 4.816,1074 3.797,1075 3.725,1076 3.738,1077 3.676,1078 3.626,1079 4.747,1080 3.625,1081 3.309,1082 3.343,1083 3.526,1084 3.283,1085 4.488,1086 3.209,1087 3.083,1088 3.139,1089 3.002,1090 2.984,1091 4.294,1092 2.967,1093 2.963,1094 2.972,1095 2.897,1096 2.76,1097 3.906,1098 2.759,1099 2.873,1100 2.925,1101 2.753,1102 2.735,1103 3.674,1104 2.715,1105 0.15,1106 0.151,1107 0.225,1108 0.138,1109 0.106,1110 4.498,1111 0.133,1112 4.52,1113 0.117,1114 6.744,1115 0.365,1116 4.134,1117 0.102,1118 3.17,1119 3.977,1120 3.52,1121 10.937,1122 3.047,1123 1.937,1124 1.921,1125 2.037,1126 2.025,1127 1.288,1128 2.028,1129 1.906,1130 1.879,1131 2.027,1132 1.979,1133 1.132,1134 2.001,1135 1.747,1136 1.73,1137 1.855,1138 1.857,1139 1.101,1140 1.864,1141 1.451,1142 1.415,1143 1.63,1144 1.608,1145 0.825,1146 1.625,1147 1.19,1148 1.141,1149 1.513,1150 1.376,1151 0.816,1152 1.429,1153 1.153,1154 1.064,1155 1.406,1156 1.324,1157 0.666,1158 1.387,1159 1.02,1160 0.988,1161 1.216,1162 1.167,1163 0.471,1164 1.18,1165 0.886,1166 0.821,1167 1.181,1168 1.1,1169 0.218,1170 1.107,1171 4.111,1172 1.946,1173 5.416,1174 3.714,1175 6.923,1176 5.416,1177 8.519,1178 7.101,1179 10.162,1184 10.661,1185 4.116,1187 5.581,1188 1.706,1189 0.588,1192 32.126,1193 68.216,1194 163.874,1195 202.882,1196 231.611,1197 243.121,1198 245.121,1199 50.252,1200 7.072,1201 50.44,1202 75.74,1203 21,1204 12.46,1205 4,1206 3.322,1207 40.008,1208 98,1209 103,1210 0.193,1211 198.594,1212 356.34,1213 476.329,1214 9988,1216 18.64,1217 0.69,1218 0.586,1219 18.993,1220 15.822,1221 13.204,1222 0.44,1223 0.344,1224 9.319,1225 12.486,1226 9.018,1227 7.448,1228 13.658,1229 10.333,1230 11.682,1231 0.285,1232 0.2,1233 12.233,1234 8.218,1235 9.239,1236 0.181,1237 0.116,1238 9.931,1239 5.927,1240 7.903,1241 0.12,1242 0.068,1243 8.778,1244 4.489,1245 6.147,1246 0.076,1247 0.041,1248 6.96,1249 3.315,1250 0.299,1251 85.733,1252 0.22,1253 25.915,1254 0.541,1255 142,1256 376.481,1257 172.918,1258 386.27,1259 524.97,1260 362,1261 166,1262 367.654,1263 194.349,1264 384.088,1265 564.31,1266 362,1267 4.398} {0 CHEMBL173204,1 1.497,2 13.063,3 3.964,4 15.71,5 181.649,6 6.539,7 0.216,8 4.683,9 4.821,10 4.113,11 4.144,12 5.691,13 4.107,14 5.288,15 5.487,16 4.484,17 4.574,18 6.269,19 4.498,20 5.658,21 5.892,22 4.569,23 4.783,24 6.597,25 4.672,26 5.797,27 6.062,28 4.628,29 4.791,30 6.813,31 4.685,32 5.755,33 5.994,34 4.729,35 4.774,36 6.964,37 4.704,38 5.792,39 6.03,40 4.785,41 4.866,42 6.863,43 4.795,44 5.893,45 6.124,46 4.868,47 4.973,48 6.997,49 4.897,50 5.986,51 6.226,52 4.91,53 5.056,54 7.097,55 4.965,56 0.07,57 1.456,58 24.413,59 9.483,60 19.218,61 13.653,62 0.617,63 2.325,64 45.992,65 16.172,66 70.834,67 23.933,68 0.89,69 2.946,70 67.735,71 21.899,72 116.669,73 32.638,74 1.132,75 3.089,76 79.098,77 22.62,78 180.276,79 35.047,80 1.758,81 3.039,82 77.227,83 20.75,84 277.841,85 31.994,86 1.219,87 3.267,88 78.923,89 22.71,90 182.544,91 34.566,92 1.284,93 3.606,94 87.152,95 25.579,96 211.312,97 38.566,98 1.852,99 3.928,100 96.099,101 27.993,102 283.779,103 42.389,104 86,105 70,106 0.219,107 0.516,108 0.736,109 0.831,110 0.858,111 0.858,112 3.895,113 1.026,114 -2.96,115 -2.96,116 -2.86,117 35.3,118 3,119 11,120 2,122 1,123 1,125 4,127 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 17,156 2,157 7,160 5,162 4,163 21,167 5,169 2,170 3,171 8,174 12,178 10,181 3,183 11,186 4,189 4,190 8,192 7,193 1,194 12,197 6,200 1,201 12,204 2,205 3,206 11,208 12,211 2,212 21,215 2,217 9,220 14,223 2,224 17,226 6,227 1,228 8,231 17,235 2,236 12,240 2,241 10,243 18,246 5826,247 31.499,248 31.499,249 31.499,250 31.499,251 31.499,252 29.606,253 30.603,254 18.854,255 31.986,256 25.196,257 25.196,258 25.196,259 25.196,260 25.196,261 22.244,262 33.367,263 9.046,264 25.928,265 5.175,266 3.142,267 1.637,268 0.988,269 0.804,270 0.804,271 4.579,276 1309,277 6.083,279 175.874,280 415.987,281 230.008,285 1.938,286 73.362,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 105,297 627,298 4.214,299 3.854,300 6.673,301 4.102,302 3.136,303 3.509,304 2.189,305 10.585,306 3.053,307 4.175,308 3.836,309 6.448,310 4.074,311 3.122,312 3.472,313 1.983,314 10.161,315 2.934,316 4.097,317 3.75,318 6.197,319 3.915,320 2.932,321 3.337,322 1.94,323 9.222,324 2.874,325 3.984,326 3.623,327 6.02,328 3.75,329 2.764,330 3.235,331 1.923,332 8.613,333 2.722,334 3.847,335 3.167,336 5.884,337 3.626,338 2.647,339 3.152,340 0.555,341 8.115,342 2.596,343 3.778,344 2.977,345 5.366,346 3.414,347 2.438,348 2.971,349 0.424,350 6.865,351 2.394,352 3.635,353 2.749,354 5.311,355 3.388,356 2.4,357 2.694,358 0.3,359 6.824,360 2.347,361 3.422,362 2.723,363 5.286,364 3.303,365 2.337,366 2.536,367 0.114,368 6.702,369 2.246,370 3.389,371 2.485,372 4.985,373 3.045,374 2.06,375 2.401,377 5.663,378 1.995,379 2.937,380 2.212,381 4.883,382 2.831,383 1.867,384 2.087,386 5.412,387 1.793,388 2.878,389 2.068,390 4.251,391 2.598,392 1.591,393 1.895,395 3.784,396 1.598,397 2.702,398 1.976,399 3.97,400 2.52,401 1.521,402 1.721,404 3.415,405 1.515,406 2.68,407 1.928,408 3.85,409 2.432,410 1.438,411 1.664,413 3.153,414 1.427,415 2.5,416 1.514,417 3.717,418 2.322,419 1.349,420 1.5,422 3.096,423 1.301,424 2.47,425 1.491,426 3.553,427 2.111,428 1.159,429 1.444,431 2.741,432 1.096,433 22.4,434 0.467,435 1.367,436 0.028,437 46.5,438 0.969,439 16,440 0.333,441 30.5,442 0.635,443 68.854,444 1.434,445 56.8,446 0.557,447 46.564,448 0.97,449 8.248,450 0.172,451 14.643,452 0.305,453 0.164,454 0.022,455 0.286,459 0.78,460 1.526,461 0.934,462 1.305,463 0.623,464 1.16,465 0.609,466 1.25,467 0.939,468 1.199,469 0.519,470 1.129,471 1.044,472 1.13,473 1.088,474 1.147,475 0.925,476 1.131,477 1.177,478 1.029,479 0.953,480 0.964,481 1.283,482 0.927,483 1.315,484 0.966,485 1.021,486 0.902,487 1.445,488 0.91,489 1.312,490 1.011,491 0.995,492 0.945,493 1.364,494 0.919,495 1.353,496 1.078,497 1.05,498 1.022,499 1.42,500 0.99,501 1.282,502 0.947,503 1.065,504 0.921,505 1.391,506 0.952,507 11,508 0.543,509 4.667,510 3.722,511 2.702,512 1.736,513 1.636,514 1.206,515 0.985,516 0.806,517 37519,518 86703,519 1.989,520 52.9,521 15,522 14,523 1,524 1,525 5,526 3,527 15,529 1.853,530 1.84,531 3.646,532 2.025,535 152.687,536 1.497,537 3.53,538 5.035,539 5.684,540 5.868,541 5.868,542 3.012,543 5.137,544 5.56,545 3.9,546 4399.39,547 9.941,548 86931.5,552 680.587,553 1.57,554 5.498,555 0.216,556 0.006,557 0.067,558 0.052,559 0.036,560 0.021,561 0.018,562 0.012,563 0.01,564 0.008,565 0.445,566 0.17,567 0.63,568 1.035,569 282.243,570 -0.051,571 -0.14,572 0.033,573 -0.033,574 -0.035,575 0.008,576 0.192,577 -0.034,578 0.034,579 -0.063,580 0.102,581 -0.045,582 -0.035,583 -0.062,584 -0.093,585 -0.102,586 -0.052,587 -0.109,588 -0.029,589 -0.065,590 0.062,591 -0.007,592 -0.021,593 0.037,594 0.103,595 0.049,596 0.043,597 0.042,598 0.108,599 0.033,600 -0.054,601 0.029,602 0.044,603 0.038,604 -0.051,605 0.055,606 -0.08,607 -0.037,608 -0.012,609 -0.02,610 -0.04,611 -0.005,612 -0.019,613 0.081,614 -0.028,615 0.062,616 -0.012,617 0.022,618 2.416,619 7.166,620 0.5,621 57.792,622 0.998,623 1.139,624 1.73,625 2.993,626 0.618,627 3.951,628 4.263,629 4.431,630 4.644,631 4.779,632 4.844,633 4.956,634 5.063,635 5.124,636 5.176,637 8.671,638 0.579,639 666.96,640 3.951,641 5.493,642 6.308,643 7.172,644 8.004,645 8.871,646 9.711,647 10.579,648 11.425,649 12.294,650 5.9,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 102,677 15,678 1,679 51,680 105,681 36,682 9,683 1,684 5,686 4,687 4,690 3,694 8,695 2,697 15,698 13,699 23,700 3,701 4,704 4,708 4,713 54,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 1,732 2,733 1,740 2,741 1,750 1,751 1,753 4,756 4,759 48,762 1,763 12,764 3,765 1,767 6,768 1,769 1,772 5.9,773 1,775 4,777 1,778 26.083,779 18.517,780 10.542,781 6.471,783 0.987,784 1.127,785 0.902,786 14.338,787 8.741,788 4.119,789 4.551,790 4.861,791 5.216,792 5.417,793 5.414,794 5.641,795 5.849,796 5.961,797 6.042,798 1,799 72,800 18.221,801 7.961,802 7.828,803 34.583,804 28.839,805 2.328,806 111.75,809 576.784,810 156.724,811 90.728,813 154.263,816 156.724,817 731.047,818 90.728,819 34.872,820 87.142,821 99.112,822 151.869,823 33.728,824 18.534,825 553.242,827 576.784,828 247.451,829 154.263,831 400.217,832 288.146,833 42.683,835 141.779,836 88.887,837 16.786,839 576.784,840 244.991,841 156.724,844 576.784,845 56.804,846 103.044,847 70.818,848 171.048,849 576.784,850 244.991,851 156.724,852 0.58,853 0.317,854 0.167,855 0.086,856 28,857 15,858 0.143,859 15,861 1,862 5.23,863 507.388,865 24,866 255.323,870 37.876,871 18.17,872 12.17,874 228.205,875 12.422,876 4.281,877 2.89,879 1.371,880 113.501,881 978.498,882 60.5,885 54.178,889 -1.913,891 101.781,892 116.211,893 0.224,894 0.529,895 0.755,896 0.852,897 0.879,898 0.879,899 5.383,900 2.337,901 6.308,902 6.824,903 4.949,904 5.239,905 3.381,906 7.091,907 4.894,908 6.538,909 2.06,910 7.857,911 6.702,912 4.635,913 4.956,914 2.895,915 8.057,916 4.552,917 7.813,918 1.867,919 9.509,920 5.663,921 6.553,922 7.13,923 4.505,924 11.059,925 6.436,926 9.112,927 1.591,928 11.221,929 5.412,930 7.022,931 7.596,932 4.617,933 12.801,934 6.868,935 10.44,936 1.521,937 12.971,938 3.784,939 8.439,940 9.285,941 5.797,942 15.361,943 8.256,944 11.786,945 1.438,946 14.747,947 3.415,948 9.253,949 10.079,950 6.175,951 17.418,952 9.028,953 13.146,954 1.349,955 16.541,956 3.153,957 10.479,958 11.571,959 7.16,960 19.829,961 10.225,962 3.136,963 1.159,964 18.348,965 3.096,966 11.453,967 12.527,968 7.684,969 22.028,970 11.155,971 3.122,972 10.585,973 20.165,974 2.741,975 12.606,976 13.924,977 8.566,978 24.385,979 12.276,980 2.932,981 10.161,982 21.991,983 3.509,984 13.654,985 14.969,986 9.177,987 26.65,988 13.281,989 2.764,990 9.222,991 23.823,992 3.472,993 14.781,994 16.315,995 10.003,996 28.989,997 14.373,998 2.647,999 8.613,1000 25.662,1001 3.337,1002 15.867,1003 17.415,1004 10.668,1005 31.288,1006 15.416,1007 2.438,1008 8.115,1009 27.505,1010 3.235,1011 16.986,1012 18.729,1013 11.464,1014 33.622,1015 16.499,1016 2.4,1017 6.865,1018 29.353,1019 3.152,1020 18.091,1021 19.866,1022 12.162,1023 35.94,1024 17.562,1025 36528,1026 55811,1027 32.997,1028 63.035,1029 76.281,1030 78.686,1031 76.302,1032 74.815,1033 74.776,1034 86.551,1035 18.86,1036 209.883,1037 72.829,1038 5.214,1039 5.854,1040 6.474,1041 5.176,1042 5.136,1043 6.509,1044 3.892,1045 17.945,1046 5.053,1047 28.987,1048 1.496,1049 1.543,1050 1.496,1051 1.467,1052 1.466,1053 1.697,1054 0.37,1055 4.115,1056 1.428,1057 4.015,1058 4.064,1059 3.931,1060 3.894,1061 7.44,1062 3.891,1063 3.918,1064 3.965,1065 3.839,1066 3.828,1067 7.429,1068 3.822,1069 3.902,1070 3.952,1071 3.822,1072 3.733,1073 7.426,1074 3.749,1075 3.845,1076 3.901,1077 3.718,1078 3.711,1079 7.423,1080 3.707,1081 3.754,1082 3.794,1083 3.671,1084 3.567,1085 6.448,1086 3.576,1087 3.696,1088 3.751,1089 3.603,1090 3.491,1091 4.988,1092 3.511,1093 3.602,1094 3.66,1095 3.488,1096 3.428,1097 4.753,1098 3.432,1099 3.468,1100 3.524,1101 3.348,1102 3.275,1103 4.568,1104 3.287,1105 0.083,1106 0.076,1107 0.131,1108 0.08,1109 0.061,1110 4.214,1111 0.069,1112 3.854,1113 0.043,1114 6.673,1115 0.208,1116 4.102,1117 0.06,1118 3.136,1119 3.509,1120 2.189,1121 10.585,1122 3.053,1123 1.926,1124 1.896,1125 2.127,1126 2.062,1127 1.537,1128 2.084,1129 1.917,1130 1.867,1131 2.056,1132 2.026,1133 1.367,1134 2.035,1135 1.775,1136 1.73,1137 1.982,1138 1.949,1139 1.242,1140 1.954,1141 1.718,1142 1.674,1143 1.947,1144 1.911,1145 1.212,1146 1.918,1147 1.695,1148 1.645,1149 1.9,1150 1.887,1151 1.133,1152 1.901,1153 1.661,1154 1.596,1155 1.855,1156 1.881,1157 1.118,1158 1.879,1159 1.535,1160 1.487,1161 1.725,1162 1.745,1163 1.027,1164 1.738,1165 1.477,1166 1.413,1167 1.707,1168 1.712,1169 0.892,1170 1.707,1171 4.635,1173 5.948,1174 2.398,1175 7.42,1176 4.595,1177 8.963,1178 6.555,1179 10.545,1180 6.973,1184 11.763,1185 9.013,1186 8.623,1187 5.445,1189 -4.193,1190 1.672,1191 -0.776,1192 59.06,1193 152.687,1194 360.055,1195 513.615,1196 579.793,1197 598.548,1198 598.548,1199 196.138,1200 7.754,1201 165.75,1202 165.75,1203 24,1204 12.843,1205 4,1206 3.392,1207 96.767,1208 243,1209 234,1210 0.181,1211 364.918,1212 655.1,1213 882.159,1214 23032,1216 34.683,1217 0.723,1218 0.602,1219 34.683,1220 28.874,1221 22.891,1222 0.449,1223 0.342,1224 17.219,1225 21.997,1226 16.733,1227 13.932,1228 22.891,1229 17.442,1230 21.321,1231 0.305,1232 0.206,1233 21.321,1234 14.422,1235 15.896,1236 0.192,1237 0.112,1238 15.896,1239 9.307,1240 12.894,1241 0.125,1242 0.066,1243 12.894,1244 6.778,1245 9.465,1246 0.08,1247 0.04,1248 9.465,1249 4.734,1250 0.282,1251 143.832,1252 0.174,1253 40.931,1254 0.507,1255 242,1256 683.449,1257 269.571,1258 647.044,1259 851.74,1260 600,1261 274,1262 597.626,1263 299.86,1264 599.726,1265 864.48,1266 561,1267 6.77} {0 CHEMBL1790545,1 1.505,2 18.881,3 5.106,4 26.068,5 222.591,6 6.768,7 0.349,8 4.85,9 4.981,10 4.307,11 4.337,12 5.903,13 4.303,14 5.425,15 5.612,16 4.657,17 4.752,18 6.421,19 4.682,20 5.782,21 6.013,22 4.782,23 4.933,24 6.801,25 4.836,26 5.907,27 6.15,28 4.846,29 4.964,30 6.969,31 4.877,32 5.965,33 6.202,34 4.93,35 4.989,36 7.179,37 4.919,38 6,39 6.23,40 4.973,41 5.061,42 7.133,43 4.987,44 6.087,45 6.319,46 5.039,47 5.159,48 7.192,49 5.079,50 6.189,51 6.428,52 5.073,53 5.252,54 7.299,55 5.15,56 0.093,57 1.717,58 27.663,59 11.211,60 26.213,61 15.647,62 0.481,63 2.745,64 51.185,65 19.012,66 76.458,67 27.329,68 1.171,69 3.46,70 76.227,71 25.279,72 173.679,73 36.975,74 1.195,75 3.702,76 87.862,77 26.54,78 200.156,79 39.5,80 1.993,81 3.829,82 94.973,83 26.614,84 345.109,85 39.526,86 1.796,87 4.027,88 97.454,89 28.948,90 283.303,91 42.118,92 1.639,93 4.42,94 105.629,95 31.887,96 281.557,97 46.627,98 2.021,99 4.867,100 117.006,101 35.831,102 356.192,103 52.696,104 106,105 85,106 0.211,107 0.522,108 0.741,109 0.851,110 0.896,111 0.901,112 4.096,113 0.998,114 -2.58,115 -2.6,116 -2.54,117 37.5,118 4,119 8,120 4,123 2,125 5,135 10,136 2,137 1,138 1,139 2,141 1,145 4,147 1,154 24,157 6,160 5,162 5,163 25,166 1,167 7,169 4,170 4,171 11,174 15,178 10,181 2,182 2,183 14,186 8,189 4,190 10,192 5,193 2,194 14,197 8,200 2,201 11,204 5,205 3,206 16,208 12,211 1,212 14,215 2,216 2,217 17,220 19,223 2,224 14,226 5,227 1,228 15,231 21,236 18,239 5,240 3,241 14,243 19,246 10775,247 39.526,248 39.526,249 39.526,250 39.526,251 39.526,252 36.321,253 30.141,254 23.641,255 40.003,256 30.98,257 30.98,258 30.98,259 30.98,260 30.98,261 26.111,262 33.369,263 11.12,264 31.732,265 5.402,266 3.192,267 1.632,268 0.85,269 0.525,270 0.492,271 4.788,276 2365,277 7,279 223.338,280 977.35,284 373.051,285 2.803,286 91.818,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 128.5,297 1114,298 4.493,299 3.843,300 6.804,301 4.158,302 3.178,303 4.43,304 2.04,305 10.994,306 3.112,307 4.245,308 3.783,309 6.506,310 4.015,311 3.032,312 3.505,313 1.971,314 10.196,315 2.981,316 4.088,317 3.677,318 6.396,319 3.938,320 2.955,321 3.452,322 1.945,323 9.672,324 2.899,325 4.028,326 3.566,327 6.192,328 3.859,329 2.873,330 3.349,331 1.892,332 9.122,333 2.827,334 3.886,335 3.143,336 6.015,337 3.68,338 2.694,339 3.166,340 0.893,341 8.515,342 2.652,343 3.852,344 3.116,345 5.368,346 3.479,347 2.514,348 3.104,349 0.577,350 6.982,351 2.422,352 3.733,353 2.747,354 5.347,355 3.413,356 2.445,357 2.93,358 0.305,359 6.891,360 2.374,361 3.58,362 2.735,363 5.31,364 3.378,365 2.396,366 2.801,367 0.234,368 6.818,369 2.332,370 3.454,371 2.596,372 5.225,373 3.239,374 2.253,375 2.655,376 0.061,377 6.354,378 2.209,379 3.421,380 2.482,381 4.999,382 3.017,383 2.038,384 2.441,386 5.821,387 1.979,388 3.168,389 2.381,390 4.853,391 2.963,392 1.96,393 2.427,395 5.124,396 1.957,397 3.118,398 2.346,399 4.847,400 2.839,401 1.831,402 2.212,404 5.042,405 1.834,406 3.037,407 2.016,408 4.648,409 2.696,410 1.731,411 2.057,413 4.51,414 1.663,415 2.905,416 1.898,417 4.168,418 2.618,419 1.618,420 2.035,422 3.799,423 1.618,424 2.78,425 1.646,426 4.022,427 2.477,428 1.487,429 1.904,431 3.283,432 1.469,433 27.633,434 0.468,435 1.401,436 0.024,437 63.5,438 1.076,439 26.5,440 0.449,441 37,442 0.627,443 84.646,444 1.435,445 67.767,446 0.565,447 66.28,448 1.123,449 11.688,450 0.198,451 16.755,452 0.284,453 0.145,455 0.326,459 0.817,460 1.385,461 0.91,462 1.197,463 0.684,464 1.082,465 0.725,466 1.277,467 0.96,468 1.208,469 0.632,470 1.134,471 0.913,472 1.05,473 0.994,474 1.067,475 0.96,476 1.047,477 1.223,478 1.074,479 0.994,480 1.021,481 1.214,482 0.976,483 1.422,484 0.943,485 1.044,486 0.9,487 1.46,488 0.907,489 1.418,490 0.966,491 1.058,492 0.951,493 1.569,494 0.95,495 1.406,496 1.024,497 1.068,498 0.989,499 1.54,500 0.977,501 1.268,502 1.009,503 1.093,504 1.008,505 1.328,506 1.021,507 11,508 0.825,509 6.444,510 4.285,511 3.293,512 2.222,513 1.975,514 1.556,515 1.163,516 0.831,517 72796,518 176523,519 2.012,520 50.8,521 26,522 19,523 1,524 2,525 7,526 3,527 3,529 1.896,530 1.873,531 4.111,532 3.311,535 180.616,536 1.505,537 3.715,538 5.275,539 6.057,540 6.382,541 6.415,542 3.588,543 5.497,544 5.852,545 4.342,546 7429.41,547 10.509,548 172251,552 828.827,553 1.444,554 5.806,555 0.175,556 0.007,557 0.076,558 0.047,559 0.035,560 0.022,561 0.018,562 0.013,563 0.01,564 0.007,565 0.41,566 0.17,567 0.38,568 0.799,569 371.622,570 -0.069,571 -0.067,572 0.023,573 0.011,574 -0.055,575 0.03,576 0.072,577 -0.093,578 -0.009,579 -0.091,580 0.026,581 -0.071,582 0.092,584 -0.004,585 -0.047,586 0.01,587 -0.043,588 -0.031,589 -0.078,590 0.027,591 -0.048,592 -0.013,593 -0.006,594 0.032,595 0.045,596 0.018,597 0.038,598 0.085,599 0.028,600 -0.023,601 0.031,602 -0.01,603 0.016,604 -0.056,605 0.005,606 -0.088,607 -0.023,608 -0.032,609 -0.011,610 -0.079,611 -0.012,612 -0.028,613 -0.017,614 -0.067,615 -0.029,616 -0.002,617 -0.051,618 2.938,619 7.238,620 0.458,621 96.367,622 0.999,623 1.135,624 1.349,625 1.82,626 0.631,627 4.159,628 4.454,629 4.691,630 4.898,631 5.03,632 5.03,633 5.147,634 5.226,635 5.273,636 5.273,637 10.935,638 0.595,639 812.13,640 4.159,641 5.694,642 6.526,643 7.386,644 8.234,645 9.097,646 9.951,647 10.816,648 11.674,649 12.541,650 5.8,657 4,658 1,660 2,661 2,662 13,663 2,664 1,666 3,667 22,674 1,676 120,677 26,678 2,679 63,680 124,681 45,682 18,683 3,684 7,686 5,687 6,690 4,694 5,695 1,697 13,698 22,699 23,700 4,701 4,704 4,708 4,713 61,714 13,715 7,716 14,718 1,719 7,721 0.8,722 7,724 2,728 1,731 1,732 4,736 1,740 4,751 2,753 4,756 4,759 59,762 2,763 10,764 4,765 1,767 9,772 5.8,773 2,775 4,777 1,778 31.5,779 21.467,780 13.278,781 7.644,783 2.479,784 1.298,785 0.908,786 17.733,787 10.801,788 4.369,789 4.854,790 5.301,791 5.758,792 6.135,793 6.213,794 6.508,795 6.774,796 7.033,797 6.742,798 0.923,799 91,800 22.414,801 9.869,802 7.839,803 42.131,804 34.923,805 2.339,806 138,809 635.64,810 218.473,811 122.4,813 196.946,816 218.473,817 832.586,818 122.4,819 35.301,820 99.017,821 189.177,822 185.13,823 52.736,824 11.771,825 600.326,827 635.64,828 340.872,829 196.946,831 600.326,832 146.893,833 85.367,835 174.283,836 133.018,837 33.571,839 635.64,840 319.346,841 218.473,844 635.64,845 61.696,846 156.777,847 88.829,848 230.517,849 635.64,850 319.346,851 218.473,852 0.574,853 0.337,854 0.179,855 0.091,856 33,857 18,858 0.169,859 21,860 1,861 1.074,862 6.094,863 666.055,864 0.074,865 27,866 339.076,870 45.741,871 22.873,872 13.328,873 1.806,874 302.56,875 23.386,876 8.526,877 2.879,879 1.724,880 174.195,881 1173.46,882 78,885 55.176,889 -2.076,891 119.861,892 136.164,893 0.218,894 0.538,895 0.764,896 0.877,897 0.924,898 0.929,899 5.611,900 2.396,901 6.5,902 6.891,903 5.142,904 5.543,905 3.383,906 7.281,907 5.095,908 6.769,909 2.253,910 8.047,911 6.818,912 4.691,913 5.215,914 2.813,915 8.153,916 4.647,917 8.042,918 2.038,919 9.696,920 6.354,921 6.708,922 7.564,923 4.419,924 11.249,925 6.62,926 9.345,927 1.96,928 11.407,929 5.821,930 7.091,931 8.082,932 4.47,933 12.966,934 6.999,935 10.681,936 1.831,937 13.159,938 5.124,939 8.557,940 9.922,941 5.63,942 15.578,943 8.432,944 12.039,945 1.731,946 14.939,947 5.042,948 9.321,949 10.87,950 5.958,951 17.645,952 9.186,953 13.415,954 1.618,955 16.74,956 4.51,957 10.57,958 12.501,959 6.91,960 20.091,961 10.409,962 3.178,963 1.487,964 18.557,965 3.799,966 11.516,967 13.692,968 7.386,969 22.313,970 11.34,971 3.032,972 10.994,973 20.386,974 3.283,975 12.678,976 15.232,977 8.225,978 24.699,979 12.48,980 2.955,981 10.196,982 22.226,983 4.43,984 13.711,985 16.56,986 8.786,987 26.992,988 13.496,989 2.873,990 9.672,991 24.073,992 3.505,993 14.839,994 18.063,995 9.562,996 29.359,997 14.605,998 2.694,999 9.122,1000 25.927,1001 3.452,1002 15.915,1003 19.466,1004 10.173,1005 31.688,1006 15.662,1007 2.514,1008 8.515,1009 27.787,1010 3.349,1011 17.034,1012 20.954,1013 10.913,1014 34.051,1015 16.761,1016 2.445,1017 6.982,1018 29.651,1019 3.166,1020 18.132,1021 22.397,1022 11.554,1023 36.399,1024 17.84,1025 69461,1026 108490,1027 41.263,1028 75.779,1029 93.441,1030 96.308,1031 96.122,1032 92.172,1033 92.315,1034 112.263,1035 19.836,1036 256.661,1037 90.113,1038 5.493,1039 5.843,1040 6.606,1041 5.237,1042 5.178,1043 7.43,1044 3.645,1045 18.437,1046 5.112,1047 34.421,1048 1.483,1049 1.529,1050 1.526,1051 1.463,1052 1.465,1053 1.782,1054 0.315,1055 4.074,1056 1.43,1057 4.095,1058 4.118,1059 4.045,1060 4.04,1061 7.437,1062 4.038,1063 3.987,1064 4.031,1065 3.907,1066 3.853,1067 7.429,1068 3.854,1069 3.907,1070 3.966,1071 3.84,1072 3.769,1073 7.424,1074 3.771,1075 3.885,1076 3.936,1077 3.797,1078 3.733,1079 7.423,1080 3.749,1081 3.841,1082 3.887,1083 3.736,1084 3.713,1085 6.493,1086 3.714,1087 3.76,1088 3.811,1089 3.648,1090 3.629,1091 6.4,1092 3.623,1093 3.695,1094 3.747,1095 3.615,1096 3.48,1097 4.993,1098 3.503,1099 3.583,1100 3.632,1101 3.473,1102 3.404,1103 4.946,1104 3.41,1105 0.071,1106 0.061,1107 0.108,1108 0.066,1109 0.05,1110 4.493,1111 0.07,1112 3.843,1113 0.032,1114 6.804,1115 0.175,1116 4.158,1117 0.049,1118 3.178,1119 4.43,1120 2.04,1121 10.994,1122 3.112,1123 2.063,1124 2.047,1125 2.145,1126 2.125,1127 1.536,1128 2.132,1129 1.917,1130 1.869,1131 2.127,1132 2.065,1133 1.357,1134 2.084,1135 1.857,1136 1.814,1137 2.03,1138 2.02,1139 1.31,1140 2.022,1141 1.824,1142 1.781,1143 1.991,1144 1.975,1145 1.275,1146 1.98,1147 1.759,1148 1.708,1149 1.964,1150 1.937,1151 1.172,1152 1.941,1153 1.721,1154 1.675,1155 1.886,1156 1.905,1157 1.117,1158 1.911,1159 1.566,1160 1.508,1161 1.796,1162 1.77,1163 1.045,1164 1.78,1165 1.493,1166 1.458,1167 1.671,1168 1.715,1169 0.854,1170 1.692,1171 4.844,1173 6.146,1174 2.398,1175 7.63,1176 4.443,1177 9.196,1178 6.26,1179 10.807,1180 7.325,1184 23.9,1185 5.728,1186 11.516,1187 5.913,1189 -7.803,1192 71.377,1193 180.616,1194 445.826,1195 633.02,1196 726.788,1197 765.807,1198 769.807,1199 242.491,1200 8.322,1201 207.66,1202 207.66,1203 29,1204 13.088,1205 4.755,1206 4,1207 117.047,1208 373,1209 445,1210 0.14,1211 440.009,1212 783.23,1213 1065.38,1214 54728,1216 42.313,1217 0.717,1218 0.586,1219 42.313,1220 34.603,1221 28.443,1222 0.451,1223 0.333,1224 20.717,1225 27.459,1226 20.197,1227 16.835,1228 28.443,1229 20.967,1230 25.037,1231 0.295,1232 0.19,1233 25.037,1234 16.167,1235 20.521,1236 0.19,1237 0.106,1238 20.521,1239 11.482,1240 16.51,1241 0.124,1242 0.06,1243 16.51,1244 7.915,1245 12.292,1246 0.081,1247 0.034,1248 12.292,1249 5.228,1250 0.223,1251 178.116,1252 0.156,1253 48.793,1254 0.379,1255 296,1256 839.932,1257 325.375,1258 800.782,1259 1063.65,1260 746,1261 341,1262 746.771,1263 370.988,1264 751.233,1265 1091.53,1266 708,1267 6.848} {0 CHEMBL2024289,1 1.533,2 25.154,3 4.315,4 18.617,5 288.854,6 6.68,7 0.15,8 5.147,9 5.279,10 4.573,11 4.57,12 6.236,13 4.543,14 5.734,15 5.936,16 4.937,17 4.969,18 6.775,19 4.912,20 6.065,21 6.28,22 5.114,23 5.189,24 7.164,25 5.113,26 6.258,27 6.494,28 5.22,29 5.256,30 7.413,31 5.198,32 6.296,33 6.512,34 5.289,35 5.304,36 7.632,37 5.254,38 6.349,39 6.577,40 5.29,41 5.407,42 7.467,43 5.326,44 6.449,45 6.689,46 5.374,47 5.467,48 7.61,49 5.388,50 6.487,51 6.72,52 5.345,53 5.48,54 7.739,55 5.39,56 0.18,57 2.246,58 38.402,59 15.015,60 42.731,61 21.17,62 1.171,63 3.486,64 72.278,65 23.79,66 146.278,67 35.483,68 1.968,69 4.395,70 102.739,71 31.967,72 254.802,73 47.295,74 2.307,75 4.816,76 127.111,77 34.11,78 382.07,79 52.475,80 3.755,81 5.045,82 134.194,83 34.479,84 644.86,85 52.533,86 2.757,87 5.487,88 138.25,89 40.596,90 413.514,91 60.444,92 2.707,93 5.876,94 152.902,95 43.574,96 481.224,97 66.247,98 4.035,99 6.019,100 161.191,101 43.664,102 689.236,103 66.53,104 641,105 110,106 0.204,107 0.469,108 0.714,109 0.826,110 0.879,111 0.879,112 4.371,113 1.007,114 -0.76,115 -0.88,116 -0.99,117 34.1,118 8,119 7,120 4,122 4,123 3,125 9,135 9,136 2,137 1,145 9,154 23,156 4,157 6,160 5,162 7,163 21,166 7,167 14,169 6,170 5,171 11,174 11,178 23,181 2,182 2,183 11,186 3,189 10,190 24,192 7,193 1,194 11,197 8,200 4,201 24,204 7,205 3,206 12,208 9,211 1,212 26,215 2,216 3,217 17,220 14,223 8,224 18,226 7,227 3,228 16,231 18,235 2,236 19,239 9,240 2,241 13,243 19,246 21690,247 50.111,248 50.111,249 50.111,250 50.111,251 50.111,252 47.413,253 50.048,254 29.156,255 50.845,256 39.039,257 39.039,258 39.039,259 39.039,260 39.039,261 34.516,262 47.01,263 13.398,264 40.029,265 5.824,266 3.84,267 2,268 1.16,269 0.763,270 0.763,271 5.039,276 3991,277 9.247,279 324.301,280 761.237,285 3.886,286 155.999,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 174,297 1962,298 4.321,299 3.998,300 6.816,301 4.165,302 3.202,303 3.626,304 2.494,305 11.142,306 3.078,307 4.199,308 3.946,309 6.652,310 4.054,311 3.089,312 3.53,313 2.474,314 10.461,315 2.975,316 4.116,317 3.826,318 6.383,319 3.955,320 2.975,321 3.383,322 2.028,323 9.589,324 2.911,325 4.084,326 3.814,327 6.358,328 3.933,329 2.949,330 3.336,331 2.011,332 9.546,333 2.895,334 4.02,335 3.765,336 6.351,337 3.863,338 2.89,339 3.241,340 1.976,341 9.492,342 2.809,343 4.005,344 3.72,345 6.194,346 3.839,347 2.87,348 3.226,349 1.971,350 9.149,351 2.767,352 3.976,353 3.61,354 6.063,355 3.754,356 2.773,357 3.125,358 1.938,359 8.737,360 2.715,361 3.856,362 3.598,363 5.865,364 3.622,365 2.636,366 3.113,367 1.918,368 8.059,369 2.593,370 3.835,371 3.54,372 5.647,373 3.486,374 2.489,375 2.964,376 1.889,377 7.186,378 2.477,379 3.707,380 2.894,381 5.368,382 3.461,383 2.473,384 2.849,385 0.843,386 6.946,387 2.437,388 3.625,389 2.821,390 5.361,391 3.313,392 2.313,393 2.794,394 0.713,395 6.843,396 2.299,397 3.471,398 2.799,399 5.047,400 3.249,401 2.239,402 2.658,403 0.553,404 6.074,405 2.251,406 3.38,407 2.792,408 4.94,409 3.013,410 2.04,411 2.539,412 0.485,413 5.65,414 1.975,415 3.178,416 2.555,417 4.883,418 2.968,419 1.98,420 2.213,421 0.338,422 5.236,423 1.945,424 3.107,425 2.506,426 4.863,427 2.914,428 1.923,429 2.17,430 0.315,431 5.136,432 1.893,433 35.867,434 0.46,435 2.437,436 0.031,437 74.75,438 0.958,439 26,440 0.333,441 48.75,442 0.625,443 130.164,444 1.669,445 94.333,446 0.575,447 101.489,448 1.301,449 14.443,450 0.185,451 22.292,452 0.286,453 0.279,455 0.382,459 0.776,460 1.61,461 0.923,462 1.382,463 0.654,464 1.203,465 0.692,466 1.248,467 0.888,468 1.123,469 0.572,470 1.047,471 0.894,472 1.145,473 1.022,474 1.159,475 0.952,476 1.121,477 1.249,478 1.094,479 0.978,480 0.984,481 1.214,482 0.927,483 1.354,484 0.994,485 1.128,486 0.92,487 1.305,488 0.963,489 1.144,490 1.036,491 1.07,492 1.034,493 1.231,494 1.037,495 1.109,496 1.095,497 0.965,498 1.023,499 1.158,500 0.97,501 1.21,502 1.012,503 1.158,504 1.011,505 1.223,506 1.06,507 19,508 1.144,509 10.444,510 6.868,511 5.623,512 3.205,513 3.108,514 2.2,515 1.43,516 1.434,517 156353,518 420568,519 1.869,520 52.4,521 27,522 36,525 8,526 2,527 13,529 1.949,530 1.683,531 4.521,532 3.816,535 251.465,536 1.533,537 3.518,538 5.357,539 6.197,540 6.595,541 6.595,542 3.955,543 6.003,544 6.261,545 4.809,546 14442.7,547 11.283,548 434781,552 1206.64,553 1.582,554 6.165,555 0.237,556 0.008,557 0.095,558 0.055,559 0.041,560 0.022,561 0.021,562 0.014,563 0.01,564 0.01,565 0.514,566 0.17,567 0.5,568 1.58,569 536.535,570 -0.062,571 -0.188,572 0.015,573 -0.068,574 -0.058,575 -0.019,576 0.108,577 -0.021,578 0.075,579 0.006,580 0.056,581 0.029,582 0.07,583 -0.01,584 -0.03,585 -0.092,586 -0.039,587 -0.089,588 -0.088,589 -0.076,590 0.051,591 -0.008,592 -0.052,593 0.046,594 -0.006,595 0.055,596 -0.062,597 0.043,598 0.076,599 -0.011,600 -0.059,601 0.023,602 -0.058,603 -0.015,604 -0.102,605 -0.036,606 -0.045,607 -0.08,608 0.042,609 -0.021,610 -0.016,611 0.023,612 -0.023,613 0.016,614 -0.124,615 -0.038,616 0.012,617 -0.092,618 2.956,619 7.085,620 0.218,621 158.03,622 1.005,623 1.141,624 -0.466,625 0.217,626 0.61,627 4.394,628 4.71,629 4.913,630 5.088,631 5.182,632 5.182,633 5.288,634 5.308,635 5.328,636 5.366,637 14.934,638 0.578,639 1095.5,640 4.394,641 5.943,642 6.77,643 7.636,644 8.482,645 9.348,646 10.202,647 11.07,648 11.928,649 12.796,650 4.9,653 1,657 7,662 9,666 3,667 12,673 1,676 164,677 21,678 2,679 80,680 166,681 56,682 12,683 3,684 9,686 3,687 3,690 9,694 3,697 16,698 21,699 35,700 4,701 9,704 9,708 9,713 86,714 22,715 8,716 22,719 8,721 1,722 14,723 1,724 1,729 1,731 1,732 2,740 5,741 2,743 2,749 1,751 2,753 3,756 12,759 78,762 3,763 10,764 5,765 2,767 13,768 3,772 8.5,773 2,774 1,775 9,777 2,778 46.333,779 31.617,780 17.694,781 10.029,783 1.029,784 1.122,785 0.865,786 28.409,787 9.462,788 4.564,789 4.99,790 5.303,791 5.609,792 5.916,793 5.79,794 5.957,795 6.175,796 6.3,797 6.332,798 1,799 124,800 29.878,801 13.122,802 8.075,803 54.547,804 43.84,805 2.575,806 200.833,809 918.146,810 267.6,811 99.427,813 376.354,816 267.6,817 1294.5,818 99.427,819 106.674,820 118.256,821 170.653,822 316.303,823 31.495,825 918.146,827 918.146,828 367.026,829 376.354,831 765.122,832 444.012,833 85.367,835 191.981,836 175.045,839 918.146,840 475.781,841 267.6,844 918.146,845 75.639,846 201.333,847 90.054,848 376.354,849 918.146,850 475.781,851 267.6,852 0.582,853 0.34,854 0.174,855 0.088,856 37,857 28,858 0.193,859 32,861 1,862 7.012,863 928.181,865 17,866 474.261,870 67.29,871 32.931,872 20.887,874 475.781,875 14.877,879 1.216,880 218.104,881 1661.53,882 95,885 122.93,889 -6.351,891 164.857,892 187.111,893 0.208,894 0.478,895 0.728,896 0.842,897 0.896,898 0.896,899 5.838,900 2.636,901 6.779,902 8.737,903 5.398,904 5.68,905 4.258,906 7.584,907 5.35,908 7.003,909 2.489,910 8.354,911 8.059,912 5.13,913 5.503,914 3.838,915 8.528,916 5.07,917 8.284,918 2.473,919 10.027,920 7.186,921 7,922 7.569,923 5.483,924 11.592,925 6.899,926 9.588,927 2.313,928 11.756,929 6.946,930 7.496,931 8.109,932 5.722,933 13.324,934 7.375,935 10.92,936 2.239,937 13.52,938 6.843,939 8.882,940 9.729,941 6.922,942 15.929,943 8.723,944 12.27,945 2.04,946 15.308,947 6.074,948 9.708,949 10.565,950 7.458,951 17.995,952 9.522,953 13.632,954 1.98,955 17.115,956 5.65,957 10.917,958 12.025,959 8.482,960 20.436,961 10.695,962 3.202,963 1.923,964 18.935,965 5.236,966 11.894,967 13.002,968 9.177,969 22.653,970 11.64,971 3.089,972 11.142,973 20.766,974 5.136,975 13.036,976 14.391,977 10.125,978 25.036,979 12.747,980 2.975,981 10.461,982 22.605,983 3.626,984 14.084,985 15.447,986 10.91,987 27.325,988 13.759,989 2.949,990 9.589,991 24.452,992 3.53,993 15.203,994 16.797,995 11.827,996 29.69,997 14.842,998 2.89,999 9.546,1000 26.305,1001 3.383,1002 16.285,1003 17.905,1004 12.663,1005 32.017,1006 15.888,1007 2.87,1008 9.492,1009 28.163,1010 3.336,1011 17.398,1012 19.231,1013 13.57,1014 34.38,1015 16.965,1016 2.773,1017 9.149,1018 30.025,1019 3.241,1020 18.499,1021 20.376,1022 14.437,1023 36.73,1024 18.027,1025 155747,1026 255844,1027 48.783,1028 100.103,1029 119.936,1030 126.338,1031 127.087,1032 117.678,1033 117.74,1034 135.542,1035 45.004,1036 335.434,1037 115,1038 5.32,1039 5.998,1040 6.618,1041 5.244,1042 5.202,1043 6.626,1044 4.322,1045 18.731,1046 5.078,1047 66.575,1048 1.499,1049 1.579,1050 1.589,1051 1.471,1052 1.472,1053 1.694,1054 0.563,1055 4.193,1056 1.438,1057 4.039,1058 4.082,1059 3.958,1060 3.917,1061 7.45,1062 3.918,1063 3.937,1064 3.972,1065 3.87,1066 3.856,1067 7.432,1068 3.852,1069 3.88,1070 3.92,1071 3.798,1072 3.754,1073 7.43,1074 3.758,1075 3.864,1076 3.906,1077 3.782,1078 3.708,1079 7.429,1080 3.718,1081 3.849,1082 3.893,1083 3.764,1084 3.688,1085 7.427,1086 3.695,1087 3.804,1088 3.854,1089 3.719,1090 3.636,1091 7.425,1092 3.642,1093 3.756,1094 3.804,1095 3.658,1096 3.602,1097 7.424,1098 3.604,1099 3.697,1100 3.745,1101 3.605,1102 3.513,1103 7.422,1104 3.526,1105 0.054,1106 0.05,1107 0.085,1108 0.052,1109 0.04,1110 4.321,1111 0.045,1112 3.998,1113 0.031,1114 6.816,1115 0.139,1116 4.165,1117 0.038,1118 3.202,1119 3.626,1120 2.494,1121 11.142,1122 3.078,1123 1.928,1124 1.898,1125 2.058,1126 2.038,1127 1.363,1128 2.04,1129 1.92,1130 1.895,1131 2.04,1132 2.035,1133 1.332,1134 2.035,1135 1.824,1136 1.776,1137 2.03,1138 2.008,1139 1.261,1140 2.011,1141 1.808,1142 1.762,1143 2.019,1144 1.992,1145 1.25,1146 1.999,1147 1.766,1148 1.714,1149 1.98,1150 1.958,1151 1.245,1152 1.963,1153 1.73,1154 1.681,1155 1.957,1156 1.911,1157 1.215,1158 1.923,1159 1.678,1160 1.635,1161 1.858,1162 1.888,1163 1.206,1164 1.875,1165 1.643,1166 1.596,1167 1.834,1168 1.861,1169 1.064,1170 1.858,1171 5.081,1173 6.399,1174 2.398,1175 7.883,1176 4.595,1177 9.443,1178 6.605,1179 11.046,1180 20.265,1184 31.857,1185 -0.021,1186 12.967,1187 10.726,1189 -11.988,1190 4.356,1192 94.724,1193 251.465,1194 576.917,1195 878.589,1196 1016.36,1197 1081.58,1198 1081.58,1199 715.092,1200 8.434,1201 302.65,1202 302.65,1203 17,1204 13.343,1205 4.459,1206 4,1207 266.008,1208 710,1209 643,1210 0.173,1211 592.152,1212 1089.94,1213 1436.61,1214 66785,1216 58.551,1217 0.751,1218 0.608,1219 58.551,1220 47.447,1221 36.735,1222 0.459,1223 0.336,1224 26.4,1225 35.033,1226 25.404,1227 21.352,1228 36.735,1229 26.84,1230 33.406,1231 0.304,1232 0.196,1233 33.406,1234 21.517,1235 25.834,1236 0.191,1237 0.103,1238 25.834,1239 13.931,1240 20.096,1241 0.125,1242 0.058,1243 20.096,1244 9.264,1245 14.465,1246 0.082,1247 0.032,1248 14.465,1249 5.58,1250 0.283,1251 233.389,1252 0.143,1253 61.04,1254 0.447,1255 380,1256 1244.14,1257 429.729,1258 1158.2,1259 1489.29,1260 1068,1261 435,1262 1003.78,1263 485.296,1264 1005.11,1265 1456.55,1266 936,1267 9.523} {0 CHEMBL2152353,1 1.507,2 14.872,3 2.719,4 7.395,5 151.654,6 6.681,7 0.14,8 4.505,9 4.64,10 3.964,11 4.007,12 5.458,13 3.957,14 5.145,15 5.336,16 4.431,17 4.505,18 6.028,19 4.429,20 5.575,21 5.799,22 4.58,23 4.759,24 6.501,25 4.64,26 5.746,27 6.029,28 4.493,29 4.768,30 6.597,31 4.61,32 5.653,33 5.922,34 4.519,35 4.682,36 6.677,37 4.549,38 5.593,39 5.838,40 4.446,41 4.65,42 6.666,43 4.52,44 5.621,45 5.896,46 4.253,47 4.64,48 6.562,49 4.456,50 5.55,51 5.849,52 4.188,53 4.564,54 6.302,55 4.381,56 0.088,57 1.204,58 20.563,59 8.285,60 20.076,61 11.762,62 0.3,63 2.077,64 40.188,65 14.771,66 40.316,67 21.582,68 0.78,69 2.812,70 64.959,71 20.906,72 99.896,73 30.888,74 0.926,75 2.943,76 78.626,77 23.441,78 126.786,79 35.426,80 1.08,81 2.651,82 73.684,83 21.533,84 170.492,85 31.946,86 1.072,87 2.556,88 68.735,89 20.059,90 180.707,91 29.411,92 1.168,93 2.536,94 71.786,95 21.725,96 170.835,97 31.952,98 0.605,99 2.385,100 63.181,101 20.512,102 92.131,103 30.605,104 83,105 66,106 0.231,107 0.526,108 0.749,109 0.854,110 0.868,111 0.868,112 3.693,113 1.049,114 -3.78,115 -3.74,116 -3.55,117 35.7,118 3,119 7,120 4,123 3,125 3,127 2,135 4,137 2,145 2,148 1,149 1,150 1,154 13,156 1,157 4,160 1,162 7,163 17,166 2,167 7,168 1,169 1,170 1,171 11,173 1,174 12,176 1,178 6,181 1,183 6,186 5,188 1,190 11,192 1,193 2,194 5,197 10,199 3,201 6,203 3,204 3,205 1,206 3,207 1,208 19,210 1,211 1,212 5,215 4,217 3,220 11,224 2,228 9,231 5,233 3,236 6,241 12,243 4,245 7,246 2949,247 25.306,248 25.306,249 25.306,250 25.306,251 25.306,252 24.266,253 30.286,254 14.148,255 25.693,256 21.131,257 21.131,258 21.131,259 21.131,260 21.131,261 19.523,262 44.263,263 6.65,264 21.873,265 4.885,266 2.953,267 1.492,268 0.807,269 0.717,270 0.717,271 4.387,272 1,275 1,276 1276,277 5.148,280 796.97,282 495.664,285 2.285,286 56.134,288 0.75,289 0.83,290 0.67,291 0.9,292 1,293 0.83,294 1,295 0.85,296 84.333,297 580,298 4.495,299 3.874,300 7.336,301 4.42,302 3.448,303 3.882,304 1.989,305 12.664,306 3.356,307 4.446,308 3.73,309 7.109,310 4.402,311 3.445,312 3.451,313 1.907,314 12.4,315 3.288,316 4.218,317 3.571,318 6.586,319 3.913,320 2.972,321 3.42,322 0.835,323 10.321,324 2.858,325 4.005,326 3.425,327 6.421,328 3.882,329 2.9,330 3.135,331 0.543,332 9.914,333 2.769,334 3.746,335 3.131,336 6.076,337 3.712,338 2.742,339 2.847,340 0.149,341 8.724,342 2.655,343 3.644,344 2.913,345 5.79,346 3.504,347 2.521,348 2.745,350 7.703,351 2.462,352 3.595,353 2.858,354 5.542,355 3.289,356 2.321,357 2.622,359 6.919,360 2.222,361 3.157,362 2.306,363 5.261,364 3.15,365 2.157,366 2.158,368 6.648,369 2.141,370 3,371 2.194,372 5.259,373 3,374 2,375 2.089,377 6.373,378 2,379 2.974,380 2.044,381 5.008,382 2.756,383 1.82,384 2,386 5.517,387 1.694,388 2.857,389 2,390 4.339,391 2.47,392 1.476,393 1.992,395 3.997,396 1.459,397 2.72,398 1.835,399 4.231,400 2.356,401 1.414,402 1.718,404 3.533,405 1.307,406 2.535,407 1.574,408 3.911,409 2.286,410 1.311,411 1.506,413 2.991,414 1.221,415 2.103,416 1.348,417 3.697,418 1.97,419 1.019,420 1.071,422 2.602,423 0.964,424 1.851,425 1.084,426 3.604,427 1.637,428 0.643,429 0.699,431 1.767,432 0.635,433 18.648,434 0.478,435 1.457,436 0.037,437 34.5,438 0.885,439 9.5,440 0.244,441 25,442 0.641,443 58.163,444 1.491,445 46.152,446 0.549,447 27.212,448 0.698,449 5.321,450 0.136,451 13.066,452 0.335,453 0.212,454 0.054,455 0.338,459 0.818,460 1.412,461 0.824,462 1.15,463 0.768,464 1.089,465 0.678,466 1.308,467 0.789,468 1.105,469 0.576,470 1.053,471 1.035,472 1.218,473 1.021,474 1.158,475 0.971,476 1.171,477 1.043,478 0.958,479 0.911,480 0.918,481 0.998,482 0.938,483 1.082,484 0.957,485 0.908,486 0.919,487 1.175,488 0.898,489 1.432,490 1.004,491 1.091,492 1.007,493 1.633,494 1.056,495 1.029,496 0.923,497 1.124,498 1.015,499 1.049,500 1.053,501 0.76,502 0.934,503 0.781,504 0.919,505 0.78,506 0.905,507 12,508 0.343,509 6,510 3.875,511 3.653,512 1.917,513 1.054,514 0.878,515 0.719,516 0.428,517 26179,518 58332,519 2.022,520 53.6,521 10,522 13,525 5,526 1,527 16,529 1.791,530 1.828,531 3.801,532 2.161,535 126.615,536 1.507,537 3.44,538 4.9,539 5.585,540 5.675,541 5.675,542 3.208,543 5.08,544 5.262,545 4.037,546 2991.29,547 9.258,548 51379.8,552 536.955,553 1.766,554 5.173,555 0.279,556 0.009,557 0.091,558 0.056,559 0.06,560 0.03,561 0.018,562 0.019,563 0.015,564 0.009,565 0.587,566 0.17,567 0.75,568 0.759,569 219.75,570 -0.072,571 -0.035,572 0.023,573 0.052,574 -0.084,575 0.056,576 0.056,577 -0.061,578 0.066,579 0.004,580 0.042,581 0.03,582 -0.038,583 -0.094,584 -0.105,585 -0.136,586 -0.046,587 -0.158,588 -0.063,589 0.012,590 0.012,591 0.02,592 -0.049,593 0.02,594 0.051,596 0.074,597 0.036,598 0.059,599 0.064,600 -0.118,601 0.007,602 -0.109,603 -0.047,604 -0.109,605 -0.098,606 0.014,607 0.024,608 -0.12,609 -0.046,610 0.007,611 -0.081,612 0.008,613 -0.011,614 0.077,615 0.033,616 -0.01,617 0.073,618 2.201,619 6.342,620 0.564,621 44.17,622 0.995,623 1.137,624 2.545,625 6.478,626 0.627,627 3.784,628 4.205,629 4.477,630 4.779,631 5.088,632 5.17,633 5.263,634 5.361,635 5.263,636 5.242,637 8.76,638 0.581,639 561.24,640 3.784,641 5.389,642 6.263,643 7.189,644 8.084,645 9.009,646 9.912,647 10.839,648 11.745,649 12.674,650 4.8,651 1,653 1,657 2,662 4,666 2,667 6,675 1,676 84,677 8,678 1,679 43,680 88,681 30,682 6,683 2,684 4,686 5,687 9,688 1,690 3,694 6,695 5,697 10,698 8,699 22,700 6,701 2,704 2,708 2,713 45,714 8,715 5,716 9,717 1,719 4,721 0.6,722 4,724 1,725 1,732 6,734 3,740 1,741 1,747 1,749 1,751 2,753 3,756 3,757 1,759 39,760 1,762 2,763 10,764 1,767 7,768 2,769 2,771 1,772 4.8,773 2,775 2,778 21.333,779 15.026,780 8.194,781 5.38,783 0.881,784 1.104,785 0.892,786 8.312,787 9.367,788 3.892,789 4.388,790 4.751,791 5.147,792 5.558,793 5.586,794 5.745,795 5.917,796 5.943,797 5.933,798 0.9,799 69,800 14.778,801 6.735,802 7.759,803 28.676,804 25.907,805 2.259,806 88.111,809 470.844,810 104.106,811 57.157,812 39.149,813 135.657,816 104.106,817 645.649,818 57.157,819 26.476,820 78.091,821 123.272,822 59.699,823 9.382,825 470.844,826 39.149,827 470.844,828 161.263,829 135.657,830 39.149,831 282.506,832 238.627,833 85.367,835 107.691,836 53.572,837 39.149,839 470.844,840 192.813,841 143.255,844 470.844,845 39.725,846 70.629,847 18.011,848 207.702,849 470.844,850 192.813,851 143.255,852 0.608,853 0.358,854 0.187,855 0.111,856 34,857 17,858 0.102,859 9,860 6,861 1.364,862 4.709,863 396.744,864 0.545,865 18,866 198.131,870 29.127,871 11.129,872 5.988,874 192.813,875 7.34,879 1.238,880 136.275,881 806.912,882 48,885 26.42,889 -0.077,891 83.596,892 95.494,893 0.236,894 0.538,895 0.767,896 0.874,897 0.888,898 0.888,899 5.244,900 2.157,901 6.337,902 6.919,903 4.89,904 5.075,905 2.724,906 7.255,907 4.822,908 6.446,909 2,910 7.976,911 6.648,912 4.844,913 5.037,914 2.262,915 8.541,916 4.725,917 7.778,918 1.82,919 9.721,920 6.373,921 6.661,922 7.025,923 3.682,924 11.584,925 6.525,926 9.131,927 1.476,928 11.525,929 5.517,930 7.347,931 7.693,932 3.804,933 13.621,934 7.156,935 10.513,936 1.414,937 13.368,938 3.997,939 8.743,940 9.278,941 4.864,942 16.28,943 8.532,944 11.914,945 1.311,946 15.236,947 3.533,948 9.733,949 10.25,950 5.247,951 18.607,952 9.471,953 13.331,954 1.019,955 17.123,956 2.991,957 10.994,958 11.697,959 6.127,960 21.157,961 10.706,962 3.448,963 0.643,964 19.026,965 2.602,966 12.113,967 12.816,968 6.642,969 23.599,970 11.78,971 3.445,972 12.664,973 20.939,974 1.767,975 13.336,976 14.206,977 7.428,978 26.121,979 12.972,980 2.972,981 12.4,982 22.862,983 3.882,984 14.511,985 15.405,986 8.014,987 28.609,988 14.107,989 2.9,990 10.321,991 24.794,992 3.451,993 15.726,994 16.771,995 8.749,996 31.126,997 15.289,998 2.742,999 9.914,1000 26.732,1001 3.42,1002 16.927,1003 18.018,1004 9.374,1005 33.634,1006 16.453,1007 2.521,1008 8.724,1009 28.675,1010 3.135,1011 18.145,1012 19.372,1013 10.081,1014 36.154,1015 17.636,1016 2.321,1017 7.703,1018 30.624,1019 2.847,1020 19.36,1021 20.651,1022 10.728,1023 38.672,1024 18.815,1025 24393,1026 36570,1027 27.452,1028 52.688,1029 66.696,1030 68.871,1031 69.67,1032 66.219,1033 65.927,1034 72.371,1035 10.844,1036 207.745,1037 63.559,1038 5.495,1039 5.874,1040 7.021,1041 5.488,1042 5.448,1043 6.882,1044 3.465,1045 20.29,1046 5.356,1047 25.268,1048 1.551,1049 1.602,1050 1.62,1051 1.54,1052 1.533,1053 1.683,1054 0.252,1055 4.831,1056 1.478,1057 4.09,1058 4.132,1059 4.042,1060 3.992,1061 7.43,1062 3.985,1063 3.984,1064 4.028,1065 3.975,1066 3.876,1067 7.426,1068 3.877,1069 3.841,1070 3.882,1071 3.795,1072 3.72,1073 6.451,1074 3.72,1075 3.769,1076 3.815,1077 3.686,1078 3.633,1079 6.444,1080 3.634,1081 3.56,1082 3.624,1083 3.446,1084 3.376,1085 4.988,1086 3.378,1087 3.367,1088 3.433,1089 3.297,1090 3.168,1091 4.932,1092 3.178,1093 3.359,1094 3.418,1095 3.241,1096 3.162,1097 4.41,1098 3.163,1099 3.256,1100 3.315,1101 3.206,1102 3.098,1103 4.371,1104 3.087,1105 0.105,1106 0.09,1107 0.171,1108 0.103,1109 0.08,1110 4.495,1111 0.09,1112 3.874,1113 0.046,1114 7.336,1115 0.295,1116 4.42,1117 0.078,1118 3.448,1119 3.882,1120 1.989,1121 12.664,1122 3.356,1123 2.057,1124 2.019,1125 2.22,1126 2.177,1127 1.687,1128 2.193,1129 1.923,1130 1.89,1131 2.051,1132 2.081,1133 1.377,1134 2.075,1135 1.819,1136 1.774,1137 1.994,1138 1.968,1139 1.3,1140 1.979,1141 1.752,1142 1.703,1143 1.931,1144 1.897,1145 1.078,1146 1.914,1147 1.532,1148 1.468,1149 1.791,1150 1.753,1151 1.027,1152 1.766,1153 1.326,1154 1.268,1155 1.599,1156 1.573,1157 0.947,1158 1.581,1159 1.321,1160 1.257,1161 1.565,1162 1.559,1163 0.941,1164 1.566,1165 1.262,1166 1.195,1167 1.562,1168 1.462,1169 0.864,1170 1.489,1171 4.466,1173 5.861,1175 7.453,1177 9.145,1179 10.891,1180 6.093,1181 6.365,1183 6.484,1184 21.934,1185 6.545,1186 3.326,1189 -0.398,1190 3.748,1191 -0.908,1192 48.835,1193 126.615,1194 288.921,1195 411.613,1196 469.18,1197 476.69,1198 476.69,1199 123.964,1200 8.486,1201 119.13,1202 119.13,1203 30,1204 13.181,1205 3.17,1206 2.585,1207 61.78,1208 209,1209 184,1210 0.141,1211 298.432,1212 536.03,1213 719.934,1214 69500,1215 1.2,1216 28.112,1217 0.721,1218 0.622,1219 28.612,1220 24.239,1221 18.387,1222 0.428,1223 0.35,1224 14.538,1225 17.556,1226 14.068,1227 11.563,1228 18.675,1229 15.03,1230 18.444,1231 0.279,1232 0.21,1233 18.815,1234 13.832,1235 15.032,1236 0.173,1237 0.119,1238 15.39,1239 10.356,1240 12.622,1241 0.107,1242 0.07,1243 12.931,1244 8.278,1245 10.977,1246 0.068,1247 0.041,1248 11.237,1249 6.565,1250 0.227,1251 117.515,1252 0.191,1253 35.412,1254 0.373,1255 218,1256 512.909,1257 251.396,1258 523.274,1259 691.4,1260 484,1261 262,1262 474.382,1263 292.526,1264 489.942,1265 721.7,1266 460,1267 5} {0 CHEMBL2181010,1 1.596,2 22.569,3 4.883,4 23.845,5 271.798,6 7.269,7 0.316,8 4.997,9 5.116,10 4.579,11 4.507,12 6.093,13 4.472,14 5.566,15 5.741,16 4.893,17 4.897,18 6.732,19 4.841,20 5.888,21 6.096,22 4.999,23 5.078,24 7.008,25 5.003,26 6.017,27 6.235,28 5.092,29 5.123,30 7.188,31 5.061,32 6.07,33 6.275,34 5.203,35 5.192,36 7.382,37 5.137,38 6.153,39 6.369,40 5.253,41 5.289,42 7.341,43 5.219,44 6.233,45 6.447,46 5.288,47 5.341,48 7.531,49 5.268,50 6.252,51 6.473,52 5.266,53 5.367,54 7.445,55 5.275,56 0.189,57 1.995,58 32.887,59 13.28,60 40.9,61 17.314,62 1.019,63 3.171,64 60.383,65 21.867,66 138.48,67 29.863,68 1.425,69 4.006,70 83.445,71 28.079,72 209.048,73 38.952,74 1.609,75 4.302,76 99.518,77 30.865,78 297.297,79 42.597,80 2.471,81 4.599,82 103.452,83 31.749,84 420.718,85 43.804,86 2.059,87 5.01,88 114.694,89 35.989,90 325.308,91 49.874,92 2.666,93 5.233,94 123.536,95 39.607,96 516.533,97 54.082,98 2.42,99 5.469,100 126.403,101 40.288,102 430.84,103 55.561,104 308,105 106,106 0.217,107 0.505,108 0.716,109 0.821,110 0.858,111 0.876,112 4.292,113 1.02,114 -2.76,115 -2.78,116 -2.69,117 38.1,118 4,119 6,120 1,122 3,123 1,125 7,135 18,136 5,137 1,145 7,154 28,156 4,157 6,160 6,162 11,163 30,166 4,167 12,169 3,170 2,171 13,174 18,178 21,181 1,182 1,183 11,186 9,189 7,190 24,192 5,193 3,194 14,197 18,200 3,201 22,204 6,205 1,206 8,208 23,211 5,212 18,215 6,216 1,217 12,220 29,223 6,224 21,226 1,227 2,228 21,231 26,236 24,239 5,240 1,241 16,243 20,246 16860,247 46.799,248 46.799,249 46.799,250 46.799,251 46.799,252 42.688,253 47.596,254 27.545,255 47.387,256 37.391,257 37.391,258 37.391,259 37.391,260 37.391,261 30.808,262 47.545,263 13.048,264 38.149,265 5.523,266 3.4,267 1.849,268 1.076,269 0.808,270 0.677,271 4.976,276 3404,277 8.062,279 284.398,280 1304.3,285 3.276,286 132.378,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 158.5,297 1625,298 4.648,299 4.311,300 6.833,301 4.179,302 3.215,303 4.445,304 2.474,305 11.19,306 3.093,307 4.342,308 4.01,309 6.47,310 4.108,311 3.158,312 3.975,313 2.028,314 10.238,315 3.033,316 4.336,317 3.858,318 6.467,319 3.964,320 2.985,321 3.544,322 1.976,323 9.85,324 2.88,325 4.108,326 3.754,327 6.253,328 3.938,329 2.966,330 3.54,331 1.938,332 9.432,333 2.864,334 4.076,335 3.643,336 6.13,337 3.861,338 2.883,339 3.462,340 1.889,341 8.989,342 2.812,343 4.013,344 3.62,345 6.096,346 3.803,347 2.82,348 3.39,349 1.081,350 8.847,351 2.764,352 3.972,353 3.559,354 6.005,355 3.739,356 2.753,357 3.266,358 1.058,359 8.559,360 2.71,361 3.882,362 3.528,363 5.894,364 3.575,365 2.576,366 3.237,367 0.713,368 7.95,369 2.566,370 3.869,371 3.018,372 5.805,373 3.518,374 2.506,375 3.125,376 0.553,377 7.825,378 2.529,379 3.727,380 2.964,381 5.379,382 3.428,383 2.43,384 2.906,385 0.473,386 6.879,387 2.419,388 3.673,389 2.802,390 5.316,391 3.373,392 2.376,393 2.854,394 0.315,395 6.848,396 2.362,397 3.531,398 2.606,399 5.195,400 3.161,401 2.166,402 2.788,403 0.263,404 6.339,405 2.144,406 3.386,407 2.559,408 5.15,409 3.094,410 2.104,411 2.504,412 0.103,413 5.992,414 2.083,415 3.193,416 2.556,417 4.975,418 3.061,419 2.074,420 2.31,422 5.713,423 2.035,424 3.119,425 2.361,426 4.701,427 2.916,428 1.94,429 2.224,431 5.054,432 1.868,433 33.8,434 0.469,435 2.214,436 0.031,437 82.75,438 1.149,439 38,440 0.528,441 44.75,442 0.622,443 100.034,444 1.389,445 82,446 0.59,447 103.35,448 1.435,449 16.184,450 0.225,451 17.946,452 0.249,453 0.202,454 0.025,455 0.334,459 0.666,460 1.418,461 0.856,462 1.251,463 0.612,464 1.065,465 0.619,466 1.228,467 0.95,468 1.131,469 0.538,470 1.041,471 1.003,472 1.065,473 0.975,474 1.009,475 1.008,476 1.058,477 1.24,478 1.103,479 0.964,480 0.974,481 1.242,482 0.948,483 1.164,484 1.013,485 0.961,486 0.913,487 1.161,488 0.958,489 1.085,490 0.996,491 0.961,492 0.995,493 1.117,494 0.984,495 1.137,496 1.022,497 0.962,498 0.96,499 1.183,500 0.977,501 1.098,502 1.055,503 1.045,504 1.012,505 1.076,506 1.045,507 17.5,508 0.975,509 8.222,510 5.431,511 5.037,512 3.406,513 2.742,514 1.891,515 1.466,516 1.236,517 126525,518 353790,519 1.952,520 48.2,521 7,522 36,525 6,526 2,527 16,529 1.935,530 1.781,531 4.392,532 2.447,535 221.82,536 1.596,537 3.719,538 5.27,539 6.043,540 6.311,541 6.442,542 3.815,543 5.732,544 6.145,545 4.628,546 11830.4,547 11.069,548 324827,552 989.533,553 1.627,554 6.068,555 0.23,556 0.007,557 0.078,558 0.048,559 0.041,560 0.025,561 0.02,562 0.013,563 0.01,564 0.009,565 0.482,566 0.17,567 0.38,568 0.959,569 481.381,570 -0.014,571 -0.121,572 0.103,573 -0.039,574 -0.072,575 0.014,576 0.174,577 -0.053,578 0.011,579 -0.047,580 0.119,581 -0.015,582 -0.038,583 0.012,584 -0.068,585 -0.046,586 -0.082,587 -0.077,588 -0.107,589 -0.09,590 0.011,591 -0.016,592 -0.087,593 0.019,594 0.046,595 0.031,596 -0.002,597 0.022,598 0.057,599 -0.01,600 -0.024,601 0.041,602 0.007,603 -0.023,604 -0.042,605 -0.009,606 0.03,607 -0.031,609 0.001,610 0.055,611 -0.004,612 -0.035,613 -0.034,614 -0.067,615 -0.039,616 -0.021,617 -0.069,618 4.772,619 7.17,620 0.403,621 129.958,622 1.006,623 1.131,624 1.534,625 2.354,626 0.644,627 4.344,628 4.673,629 4.868,630 5.088,631 5.257,632 5.293,633 5.416,634 5.481,635 5.561,636 5.587,637 13.229,638 0.612,639 1010.34,640 4.344,641 5.9,642 6.727,643 7.601,644 8.448,645 9.324,646 10.18,647 11.057,648 11.918,649 12.796,650 5,655 1,657 6,662 18,666 6,667 24,668 2,676 139,677 33,678 4,679 76,680 143,681 53,682 24,683 6,684 18,685 2,686 5,687 5,690 4,694 3,697 13,698 31,699 22,700 1,701 9,703 1,704 9,708 7,713 67,714 18,715 6,716 19,717 1,719 7,721 1,722 11,724 1,729 1,731 1,732 4,740 2,741 2,743 1,751 1,753 5,755 1,756 7,759 72,761 1,762 1,763 7,764 5,765 1,767 8,768 2,772 7.9,773 1,775 9,777 1,778 40.417,779 26.1,780 15.875,781 8.204,783 2.407,784 1.275,785 0.919,786 21.248,787 11.164,788 4.585,789 5.1,790 5.468,791 5.895,792 6.333,793 6.357,794 6.66,795 6.814,796 7.033,797 7.149,798 0.933,799 112,800 27.617,801 12.431,802 8.038,803 50.357,804 41.221,805 2.538,806 182.75,809 718.037,810 309.567,811 94.697,813 274.011,815 5.807,816 303.76,817 992.048,818 94.697,819 61.771,820 95.605,821 219.063,822 272.152,823 29.685,825 718.037,827 718.037,828 398.456,829 274.011,830 5.807,831 529.7,832 419.665,833 42.683,835 130.905,836 251.146,837 22.212,839 718.037,840 368.707,841 309.567,843 5.807,844 718.037,845 71.417,846 238.592,847 88.448,848 274.011,849 718.037,850 368.707,851 309.567,852 0.584,853 0.327,854 0.171,855 0.094,856 41,857 25,858 0.168,859 24,861 1,862 6.782,863 868.158,865 29,866 428.235,869 1,870 57.126,871 26.781,872 17.173,874 368.707,875 30.96,879 2.082,880 131.131,881 1396.31,882 97,884 -3.855,885 120.97,889 -4.378,891 139.897,892 157.168,893 0.224,894 0.522,895 0.74,896 0.849,897 0.887,898 0.905,899 5.846,900 2.576,901 6.739,902 8.559,903 5.361,904 5.79,905 3.778,906 7.546,907 5.322,908 7.043,909 2.506,910 8.307,911 7.95,912 5.094,913 5.697,914 3.253,915 8.518,916 5.021,917 8.349,918 2.43,919 9.975,920 7.825,921 6.982,922 7.869,923 4.895,924 11.553,925 6.891,926 9.684,927 2.376,928 11.7,929 6.879,930 7.479,931 8.544,932 5.101,933 13.293,934 7.347,935 11.05,936 2.166,937 13.461,938 6.848,939 8.884,940 10.272,941 6.28,942 15.884,943 8.73,944 12.436,945 2.104,946 15.245,947 6.339,948 9.713,949 11.298,950 6.81,951 17.945,952 9.514,953 13.84,954 2.074,955 17.047,956 5.992,957 10.937,958 12.863,959 7.809,960 20.382,961 10.711,962 3.215,963 1.94,964 18.862,965 5.713,966 11.92,967 14.076,968 8.503,969 22.594,970 11.648,971 3.158,972 11.19,973 20.686,974 5.054,975 13.074,976 15.575,977 9.429,978 24.977,979 12.77,980 2.985,981 10.238,982 22.519,983 4.445,984 14.129,985 16.896,986 10.213,987 27.265,988 13.78,989 2.966,990 9.85,991 24.359,992 3.975,993 15.259,994 18.37,995 11.112,996 29.633,997 14.874,998 2.883,999 9.432,1000 26.205,1001 3.544,1002 16.351,1003 19.755,1004 11.946,1005 31.961,1006 15.921,1007 2.82,1008 8.989,1009 28.056,1010 3.54,1011 17.475,1012 21.222,1013 12.838,1014 34.329,1015 17.007,1016 2.753,1017 8.847,1018 29.911,1019 3.462,1020 18.586,1021 22.647,1022 13.701,1023 36.682,1024 18.074,1025 122323,1026 204951,1027 48.142,1028 89.529,1029 114.769,1030 121.195,1031 118.08,1032 113.148,1033 113.007,1034 139.97,1035 29.73,1036 323.389,1037 110.963,1038 5.645,1039 6.311,1040 6.635,1041 5.239,1042 5.215,1043 7.445,1044 4.216,1045 18.868,1046 5.093,1047 52.462,1048 1.51,1049 1.595,1050 1.554,1051 1.489,1052 1.487,1053 1.842,1054 0.391,1055 4.255,1056 1.46,1057 4.083,1058 4.106,1059 4.717,1060 4.007,1061 7.718,1062 3.975,1063 3.98,1064 4.003,1065 3.975,1066 3.9,1067 7.444,1068 3.876,1069 3.929,1070 3.958,1071 3.892,1072 3.859,1073 7.43,1074 3.849,1075 3.919,1076 3.947,1077 3.846,1078 3.855,1079 7.429,1080 3.843,1081 3.865,1082 3.906,1083 3.826,1084 3.791,1085 7.426,1086 3.736,1087 3.843,1088 3.891,1089 3.784,1090 3.727,1091 7.426,1092 3.697,1093 3.837,1094 3.817,1095 3.759,1096 3.682,1097 7.424,1098 3.688,1099 3.727,1100 3.774,1101 3.644,1102 3.546,1103 7.421,1104 3.56,1105 0.061,1106 0.057,1107 0.09,1108 0.055,1109 0.042,1110 4.648,1111 0.058,1112 4.311,1113 0.033,1114 6.833,1115 0.147,1116 4.179,1117 0.041,1118 3.215,1119 4.445,1120 2.474,1121 11.19,1122 3.093,1123 1.959,1124 1.942,1125 2.067,1126 2.068,1127 1.323,1128 2.072,1129 1.929,1130 1.899,1131 2.058,1132 2.039,1133 1.301,1134 2.042,1135 1.927,1136 1.897,1137 2.056,1138 2.024,1139 1.262,1140 2.036,1141 1.908,1142 1.883,1143 2.014,1144 1.993,1145 1.215,1146 2.014,1147 1.801,1148 1.751,1149 1.991,1150 1.981,1151 1.201,1152 1.989,1153 1.7,1154 1.71,1155 1.877,1156 1.901,1157 1.135,1158 1.897,1159 1.682,1160 1.654,1161 1.858,1162 1.854,1163 1.051,1164 1.88,1165 1.652,1166 1.617,1167 1.851,1168 1.832,1169 1.037,1170 1.84,1171 5.03,1173 6.358,1174 2.398,1175 7.852,1176 4.595,1177 9.42,1178 6.605,1179 11.03,1180 10.573,1184 11.71,1185 1.041,1186 13.371,1187 4.963,1189 -7.389,1190 2.703,1192 85.004,1193 221.82,1194 516.951,1195 732.522,1196 839.945,1197 877.229,1198 895.494,1199 398.85,1200 8.757,1201 249.72,1202 258.1,1203 29,1204 13.337,1205 5.087,1206 4.459,1207 162.688,1208 581,1209 578,1210 0.13,1211 529.227,1212 962.1,1213 1283.07,1214 98412,1216 52.699,1217 0.732,1218 0.592,1219 52.949,1220 42.61,1221 34.13,1222 0.449,1223 0.34,1224 23.774,1225 32.081,1226 22.849,1227 19.066,1228 35.057,1229 25.829,1230 31.918,1231 0.301,1232 0.193,1233 33.3,1234 20.416,1235 24.311,1236 0.188,1237 0.1,1238 24.762,1239 12.957,1240 19.473,1241 0.121,1242 0.057,1243 19.989,1244 9.17,1245 14.914,1246 0.078,1247 0.031,1248 15.271,1249 5.846,1250 0.21,1251 223.956,1252 0.144,1253 57.038,1254 0.342,1255 364,1256 1155.32,1257 434.198,1258 1117.35,1259 1459.36,1260 1028,1261 417,1262 989.221,1263 493.559,1264 1030.64,1265 1483.08,1266 961,1267 6.678} {0 CHEMBL2181011,1 1.587,2 22.589,3 5.237,4 27.422,5 276.033,6 7.214,7 0.312,8 5.017,9 5.136,10 4.593,11 4.524,12 6.107,13 4.488,14 5.589,15 5.769,16 4.921,17 4.917,18 6.734,19 4.86,20 5.905,21 6.109,22 5.04,23 5.111,24 7.029,25 5.036,26 6.056,27 6.269,28 5.114,29 5.163,30 7.236,31 5.098,32 6.113,33 6.328,34 5.222,35 5.227,36 7.395,37 5.165,38 6.172,39 6.385,40 5.281,41 5.314,42 7.362,43 5.245,44 6.266,45 6.48,46 5.304,47 5.363,48 7.563,49 5.29,50 6.274,51 6.495,52 5.288,53 5.395,54 7.453,55 5.301,56 0.172,57 2.035,58 33.807,59 13.585,60 39.582,61 17.838,62 1.042,63 3.244,64 62.11,65 22.218,66 133.531,67 30.522,68 1.372,69 4.112,70 87.26,71 29.263,72 200.02,73 40.111,74 1.672,75 4.461,76 103.41,77 32.129,78 315.065,79 44.199,80 2.498,81 4.766,82 108.86,83 33.393,84 420.434,85 46.555,86 1.962,87 5.127,88 116.453,89 36.84,90 314.09,91 51.211,92 2.807,93 5.379,94 128.347,95 40.183,96 538.574,97 55.096,98 2.39,99 5.598,100 129.162,101 41.377,102 425.979,103 57.262,104 343,105 108,106 0.215,107 0.499,108 0.713,109 0.821,110 0.857,111 0.874,112 4.305,113 1.02,114 -2.92,115 -2.92,116 -2.82,117 38,118 4,119 6,120 1,122 4,123 1,125 7,135 18,136 5,137 1,145 7,154 28,156 6,157 8,160 4,162 9,163 30,166 4,167 14,169 3,170 2,171 11,174 18,178 22,181 1,182 1,183 10,186 9,189 9,190 24,192 5,193 1,194 14,197 18,200 3,201 22,204 6,205 1,206 8,208 23,211 5,212 21,215 6,216 1,217 9,220 29,223 6,224 25,226 2,227 1,228 17,231 26,236 28,239 5,240 1,241 12,243 20,246 17396,247 47.376,248 47.376,249 47.376,250 47.376,251 47.376,252 43.312,253 50.728,254 27.73,255 47.986,256 37.815,257 37.815,258 37.815,259 37.815,260 37.815,261 31.259,262 56.643,263 13.082,264 38.61,265 5.563,266 3.463,267 1.886,268 1.087,269 0.824,270 0.696,271 4.988,276 3451,277 8.185,279 288.682,280 1322.23,285 3.25,286 134.74,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 160.5,297 1649,298 4.774,299 4.379,300 7.186,301 4.3,302 3.359,303 4.539,304 2.474,305 11.872,306 3.158,307 4.342,308 4.01,309 6.833,310 4.179,311 3.215,312 3.977,313 2.028,314 11.19,315 3.093,316 4.336,317 3.858,318 6.47,319 3.979,320 2.991,321 3.544,322 1.976,323 9.85,324 2.942,325 4.108,326 3.754,327 6.269,328 3.938,329 2.967,330 3.54,331 1.938,332 9.47,333 2.877,334 4.076,335 3.643,336 6.131,337 3.861,338 2.883,339 3.462,340 1.889,341 8.993,342 2.812,343 4.013,344 3.621,345 6.096,346 3.803,347 2.82,348 3.39,349 1.081,350 8.847,351 2.765,352 3.972,353 3.559,354 6.012,355 3.739,356 2.753,357 3.266,358 1.058,359 8.573,360 2.711,361 3.882,362 3.528,363 5.894,364 3.575,365 2.576,366 3.237,367 0.713,368 7.95,369 2.566,370 3.869,371 3.02,372 5.805,373 3.518,374 2.506,375 3.125,376 0.553,377 7.825,378 2.529,379 3.729,380 2.965,381 5.472,382 3.428,383 2.43,384 2.924,385 0.473,386 6.918,387 2.419,388 3.674,389 2.802,390 5.379,391 3.373,392 2.376,393 2.88,394 0.4,395 6.879,396 2.362,397 3.587,398 2.774,399 5.316,400 3.189,401 2.212,402 2.812,403 0.315,404 6.836,405 2.156,406 3.398,407 2.561,408 5.195,409 3.104,410 2.108,411 2.511,412 0.263,413 6.003,414 2.088,415 3.193,416 2.558,417 4.98,418 3.085,419 2.098,420 2.315,421 0.103,422 5.724,423 2.062,424 3.127,425 2.361,426 4.701,427 2.917,428 1.941,429 2.224,431 5.054,432 1.868,433 34.3,434 0.47,435 2.276,436 0.031,437 83.5,438 1.144,439 38,440 0.521,441 45.5,442 0.623,443 103.356,444 1.416,445 83.3,446 0.587,447 105.834,448 1.45,449 16.354,450 0.224,451 18.214,452 0.25,453 0.214,454 0.024,455 0.341,459 0.659,460 1.455,461 0.859,462 1.272,463 0.609,464 1.082,465 0.636,466 1.188,467 0.924,468 1.077,469 0.547,470 1.005,471 0.998,472 1.092,473 1.048,474 1.075,475 0.99,476 1.065,477 1.314,478 1.121,479 1.016,480 1,481 1.343,482 0.989,483 1.127,484 0.981,485 0.929,486 0.884,487 1.131,488 0.925,489 1.073,490 1.044,491 0.958,492 1.029,493 1.104,494 1.006,495 1.224,496 0.999,497 0.995,498 0.937,499 1.27,500 0.968,501 1.091,502 1.049,503 1.036,504 1.005,505 1.069,506 1.036,507 17.5,508 1.058,509 9.333,510 5.431,511 5.077,512 3.691,513 2.742,514 1.953,515 1.565,516 1.316,517 130060,518 359539,519 1.945,520 48.6,521 7,522 39,525 5,526 2,527 16,529 1.938,530 1.77,531 4.39,532 1.765,535 225.307,536 1.587,537 3.687,538 5.264,539 6.063,540 6.325,541 6.454,542 3.814,543 5.741,544 6.165,545 4.629,546 12164.1,547 11.11,548 335877,552 1015.26,553 1.638,554 6.084,555 0.227,556 0.008,557 0.086,558 0.046,559 0.041,560 0.027,561 0.019,562 0.013,563 0.011,564 0.009,565 0.488,566 0.17,567 0.5,568 0.961,569 489.252,570 -0.007,571 -0.156,572 0.106,573 -0.055,574 -0.07,575 0.003,576 0.169,577 -0.009,578 0.045,579 0.001,580 0.109,581 0.018,582 -0.031,583 0.005,584 -0.079,585 -0.064,586 -0.062,587 -0.074,588 -0.134,589 -0.104,590 -0.038,591 -0.039,592 -0.117,593 -0.024,594 0.059,595 0.051,596 0.032,597 0.05,598 0.061,599 0.026,600 -0.012,601 0.002,602 0.009,603 -0.052,604 -0.029,605 -0.028,607 -0.004,608 -0.023,609 0.015,610 0.032,611 -0.005,612 -0.031,613 -0.025,614 -0.059,615 -0.029,616 -0.017,617 -0.058,618 4.767,619 7.218,620 0.397,621 130.952,622 1.005,623 1.131,624 1.686,625 2.844,626 0.643,627 4.357,628 4.691,629 4.905,630 5.1,631 5.278,632 5.323,633 5.442,634 5.513,635 5.587,636 5.62,637 13.25,638 0.609,639 1024.37,640 4.357,641 5.916,642 6.751,643 7.625,644 8.479,645 9.356,646 10.219,647 11.097,648 11.965,649 12.845,650 4.9,656 1,657 6,662 18,666 6,667 24,668 2,676 142,677 33,678 4,679 77,680 146,681 54,682 24,683 6,684 18,685 2,686 5,687 5,690 4,694 3,697 13,698 31,699 23,700 1,701 9,703 1,704 9,708 7,713 69,714 18,715 5,716 19,717 1,719 7,721 1,722 11,724 1,729 1,731 1,732 4,740 2,741 2,743 1,751 1,753 5,755 1,756 8,759 73,761 1,762 1,763 7,764 4,765 1,767 8,768 3,772 7.7,773 1,775 9,777 1,778 41.25,779 27.05,780 16.111,781 8.383,783 2.398,784 1.273,785 0.917,786 21.461,787 11.184,788 4.595,789 5.112,790 5.501,791 5.907,792 6.353,793 6.397,794 6.697,795 6.857,796 7.054,797 7.179,798 0.933,799 117,800 28.015,801 12.607,802 8.024,803 51.138,804 41.857,805 2.524,806 184.25,809 753.351,810 317.964,811 79.81,813 274.011,815 5.807,816 312.156,817 1027.36,818 79.81,819 70.167,820 95.605,821 219.063,822 255.747,823 31.203,825 753.351,827 753.351,828 391.966,829 274.011,830 5.807,831 565.013,832 419.665,833 42.683,835 130.905,836 261.061,837 5.807,839 753.351,840 353.821,841 317.964,843 5.807,844 753.351,845 71.417,846 248.507,847 72.043,848 274.011,849 753.351,850 353.821,851 317.964,852 0.587,853 0.337,854 0.17,855 0.093,856 42,857 26,858 0.164,859 24,861 1,862 6.793,863 889.575,865 29,866 430.347,869 1,870 58.114,871 26.958,872 16.612,874 353.821,875 31.145,879 2.213,880 114.726,881 1425.14,882 98,884 -3.851,885 122.04,889 -4.351,891 142.781,892 160.583,893 0.222,894 0.516,895 0.736,896 0.848,897 0.885,898 0.903,899 5.861,900 2.576,901 6.767,902 8.573,903 5.38,904 5.802,905 3.785,906 7.588,907 5.338,908 7.06,909 2.506,910 8.349,911 7.95,912 5.13,913 5.717,914 3.253,915 8.605,916 5.053,917 8.369,918 2.43,919 10.034,920 7.825,921 7.015,922 7.888,923 4.895,924 11.66,925 6.919,926 9.71,927 2.376,928 11.78,929 6.918,930 7.545,931 8.584,932 5.101,933 13.47,934 7.401,935 11.083,936 2.212,937 13.565,938 6.879,939 8.949,940 10.311,941 6.28,942 16.094,943 8.782,944 12.479,945 2.108,946 15.377,947 6.836,948 9.815,949 11.366,950 6.81,951 18.236,952 9.593,953 13.894,954 2.098,955 17.21,956 6.003,957 11.047,958 12.936,959 7.809,960 20.722,961 10.794,962 3.359,963 1.941,964 19.059,965 5.724,966 12.067,967 14.181,968 8.503,969 23.018,970 11.757,971 3.215,972 11.872,973 20.921,974 5.054,975 13.24,976 15.691,977 9.429,978 25.462,979 12.889,980 2.991,981 11.19,982 22.793,983 4.539,984 14.332,985 17.045,986 10.213,987 27.833,988 13.923,989 2.967,990 9.85,991 24.676,992 3.977,993 15.489,994 18.535,995 11.112,996 30.269,997 15.033,998 2.883,999 9.47,1000 26.567,1001 3.544,1002 16.618,1003 19.953,1004 11.946,1005 32.678,1006 16.103,1007 2.82,1008 8.993,1009 28.465,1010 3.54,1011 17.775,1012 21.44,1013 12.838,1014 35.116,1015 17.207,1016 2.753,1017 8.847,1018 30.37,1019 3.462,1020 18.925,1021 22.895,1022 13.701,1023 37.546,1024 18.296,1025 125879,1026 209669,1027 48.547,1028 91.291,1029 116.983,1030 122.885,1031 120.678,1032 115.278,1033 115.173,1034 142.194,1035 30.53,1036 332.198,1037 112.955,1038 5.771,1039 6.379,1040 6.988,1041 5.36,1042 5.359,1043 7.539,1044 4.216,1045 19.55,1046 5.158,1047 54.39,1048 1.519,1049 1.596,1050 1.567,1051 1.497,1052 1.496,1053 1.847,1054 0.396,1055 4.314,1056 1.467,1057 4.093,1058 4.113,1059 4.723,1060 4.02,1061 7.716,1062 3.983,1063 3.984,1064 4.007,1065 3.976,1066 3.903,1067 7.444,1068 3.879,1069 3.931,1070 3.959,1071 3.892,1072 3.86,1073 7.43,1074 3.85,1075 3.919,1076 3.95,1077 3.846,1078 3.855,1079 7.429,1080 3.844,1081 3.865,1082 3.906,1083 3.826,1084 3.792,1085 7.426,1086 3.736,1087 3.844,1088 3.891,1089 3.784,1090 3.727,1091 7.426,1092 3.709,1093 3.84,1094 3.826,1095 3.759,1096 3.682,1097 7.424,1098 3.688,1099 3.727,1100 3.775,1101 3.644,1102 3.546,1103 7.421,1104 3.56,1105 0.062,1106 0.057,1107 0.093,1108 0.056,1109 0.044,1110 4.774,1111 0.059,1112 4.379,1113 0.032,1114 7.186,1115 0.154,1116 4.3,1117 0.041,1118 3.359,1119 4.539,1120 2.474,1121 11.872,1122 3.158,1123 1.964,1124 1.949,1125 2.067,1126 2.073,1127 1.323,1128 2.079,1129 1.929,1130 1.899,1131 2.058,1132 2.039,1133 1.301,1134 2.042,1135 1.927,1136 1.897,1137 2.056,1138 2.024,1139 1.262,1140 2.037,1141 1.911,1142 1.885,1143 2.014,1144 1.998,1145 1.215,1146 2.02,1147 1.801,1148 1.751,1149 1.996,1150 1.982,1151 1.205,1152 1.989,1153 1.701,1154 1.723,1155 1.877,1156 1.901,1157 1.164,1158 1.897,1159 1.697,1160 1.654,1161 1.858,1162 1.86,1163 1.052,1164 1.888,1165 1.656,1166 1.617,1167 1.852,1168 1.833,1169 1.037,1170 1.841,1171 5.043,1173 6.375,1174 2.398,1175 7.878,1176 4.595,1177 9.456,1178 6.605,1179 11.076,1180 11.932,1184 11.756,1185 1.045,1186 11.107,1187 4.967,1189 -7.391,1190 3.638,1192 86.531,1193 225.307,1194 523.537,1195 747.498,1196 860.921,1197 898.205,1198 916.47,1199 409.908,1200 8.786,1201 240.93,1202 249.31,1203 29,1204 13.383,1205 5.087,1206 4.459,1207 166.423,1208 590,1209 580,1210 0.131,1211 538.819,1212 979.4,1213 1306.48,1214 101244,1216 53.57,1217 0.734,1218 0.597,1219 53.82,1220 43.557,1221 34.568,1222 0.449,1223 0.34,1224 24.156,1225 32.449,1226 23.176,1227 19.351,1228 35.462,1229 26.185,1230 32.202,1231 0.298,1232 0.195,1233 33.613,1234 21.007,1235 25.422,1236 0.19,1237 0.105,1238 26.223,1239 14.099,1240 19.477,1241 0.119,1242 0.056,1243 19.899,1244 9.196,1245 15.047,1246 0.077,1247 0.03,1248 15.339,1249 5.92,1250 0.211,1251 226.476,1252 0.144,1253 57.562,1254 0.345,1255 370,1256 1166.63,1257 443.899,1258 1126.97,1259 1476.38,1260 1038,1261 427,1262 1003.5,1263 507.005,1264 1046.23,1265 1509.66,1266 976,1267 7.439} {0 CHEMBL2181012,1 1.521,2 17.275,3 2.666,4 7.109,5 190.282,6 6.807,7 0.226,8 4.696,9 4.826,10 4.151,11 4.161,12 5.782,13 4.131,14 5.275,15 5.469,16 4.506,17 4.552,18 6.324,19 4.492,20 5.598,21 5.817,22 4.627,23 4.741,24 6.676,25 4.661,26 5.74,27 5.968,28 4.729,29 4.792,30 6.882,31 4.729,32 5.793,33 6.009,34 4.834,35 4.863,36 7.101,37 4.805,38 5.886,39 6.12,40 4.832,41 4.964,42 7.004,43 4.88,44 5.948,45 6.182,46 4.854,47 4.991,48 7.13,49 4.903,50 5.933,51 6.173,52 4.788,53 4.966,54 7.116,55 4.859,56 0.074,57 1.449,58 23.591,59 9.618,60 23.025,61 13.397,62 0.663,63 2.286,64 44.642,65 15.366,66 82.215,67 22.636,68 1.109,69 2.858,70 63.704,71 20.093,72 150.61,73 29.486,74 1.219,75 3.059,76 74.87,77 21.651,78 227.419,79 32.124,80 1.964,81 3.306,82 79.478,83 22.118,84 347.525,85 33.153,86 1.43,87 3.61,88 86.166,89 26.008,90 223.267,91 38.391,92 1.62,93 3.682,94 92.301,95 27.977,96 314.013,97 40.878,98 1.822,99 3.667,100 91.003,101 27.116,102 329.273,103 40.434,104 188,105 72,106 0.221,107 0.505,108 0.743,109 0.839,110 0.858,111 0.869,112 3.954,113 0.99,114 -2.38,115 -2.42,116 -2.37,117 36.5,118 4,119 6,120 1,122 2,123 1,125 6,135 10,136 2,145 6,154 18,156 3,157 5,160 3,162 6,163 19,166 4,167 8,169 3,170 2,171 5,174 11,178 13,181 1,182 1,183 6,186 5,189 7,190 16,192 3,193 1,194 11,197 9,200 2,201 18,204 4,206 6,208 10,211 1,212 17,215 2,216 1,217 8,220 13,223 6,224 16,226 1,227 1,228 11,231 12,236 13,239 4,241 7,243 11,246 6573,247 33.181,248 33.181,249 33.181,250 33.181,251 33.181,252 30.845,253 33.335,254 19.732,255 33.611,256 26.02,257 26.02,258 26.02,259 26.02,260 26.02,261 22.311,262 31.04,263 9.281,264 26.529,265 5.179,266 3.226,267 1.586,268 0.923,269 0.794,270 0.717,271 4.626,276 1814,277 7,279 196.136,280 466.097,285 2.611,286 87.745,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 112.5,297 881,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.108,308 3.858,309 6.47,310 3.94,311 2.969,312 3.462,313 2.028,314 9.85,315 2.878,316 4.018,317 3.754,318 6.124,319 3.862,320 2.889,321 3.39,322 1.976,323 8.98,324 2.803,325 3.97,326 3.642,327 6.08,328 3.787,329 2.807,330 3.266,331 1.938,332 8.811,333 2.743,334 3.882,335 3.561,336 5.894,337 3.574,338 2.576,339 3.127,340 1.907,341 7.947,342 2.566,343 3.762,344 3.52,345 5.379,346 3.436,347 2.439,348 2.935,349 1.889,350 6.879,351 2.427,352 3.685,353 2.955,354 5.316,355 3.375,356 2.378,357 2.861,358 0.713,359 6.853,360 2.364,361 3.554,362 2.802,363 5.196,364 3.242,365 2.229,366 2.717,367 0.553,368 6.067,369 2.241,370 3.295,371 2.561,372 5.009,373 3.094,374 2.104,375 2.379,376 0.315,377 5.799,378 2.085,379 3.191,380 2.558,381 4.706,382 2.993,383 1.996,384 2.223,385 0.263,386 5.054,387 1.983,388 3.111,389 2.361,390 4.596,391 2.91,392 1.92,393 2.149,394 0.149,395 4.878,396 1.866,397 2.887,398 2.29,399 4.497,400 2.554,401 1.576,402 2.029,403 0.103,404 4.076,405 1.529,406 2.88,407 1.977,408 4.046,409 2.478,410 1.481,411 1.996,413 3.323,414 1.474,415 2.73,416 1.794,417 3.897,418 2.468,419 1.471,420 1.701,422 3.2,423 1.463,424 2.5,425 1.688,426 3.707,427 2.157,428 1.165,429 1.5,431 2.93,432 1.145,433 23.667,434 0.464,435 1.463,436 0.029,437 52.75,438 1.034,439 21,440 0.412,441 31.75,442 0.623,443 68.009,444 1.334,445 59.733,446 0.574,447 58.356,448 1.144,449 10.464,450 0.205,451 13.745,452 0.27,453 0.225,455 0.351,459 0.722,460 1.513,461 0.889,462 1.298,463 0.599,464 1.143,465 0.662,466 1.256,467 0.9,468 1.122,469 0.56,470 1.059,471 0.988,472 1.057,473 1.069,474 1.078,475 1.029,476 1.081,477 1.296,478 1.1,479 1.007,480 0.99,481 1.353,482 0.948,483 1.196,484 1.041,485 1.069,486 0.956,487 1.172,488 0.975,489 1.15,490 0.994,491 1.051,492 0.998,493 1.17,494 0.998,495 1.211,496 1.042,497 1.028,498 1.006,499 1.298,500 0.989,501 1.072,502 1.06,503 1.087,504 1.052,505 1.078,506 1.068,507 11.5,508 0.537,509 5.778,510 3.806,511 3.592,512 2.149,513 1.844,514 1.281,515 0.898,516 0.689,517 47200,518 127168,519 1.919,520 51,521 7,522 24,525 4,526 5,527 13,529 1.86,530 1.749,531 4.009,532 1.302,535 158.235,536 1.521,537 3.475,538 5.115,539 5.777,540 5.907,541 5.984,542 3.417,543 5.319,544 5.646,545 4.247,546 5415.15,547 10.071,548 115023,552 696.846,553 1.558,554 5.569,555 0.217,556 0.007,557 0.08,558 0.049,559 0.042,560 0.023,561 0.02,562 0.013,563 0.01,564 0.009,565 0.472,566 0.17,567 0.63,568 1.095,569 310.396,570 -0.046,571 -0.164,572 0.024,573 -0.056,574 -0.042,575 -0.011,576 0.129,577 -0.06,578 0.051,579 -0.027,580 0.058,581 -0.01,582 0.003,583 0.047,584 -0.079,585 -0.062,586 -0.075,587 -0.084,588 -0.1,589 -0.088,590 0.018,591 -0.014,592 -0.096,593 0.02,594 0.066,595 0.018,596 -0.03,597 0.008,598 0.112,599 -0.022,600 -0.078,601 0.045,602 -0.046,603 -0.013,604 -0.076,605 -0.02,606 -0.061,607 -0.059,608 -0.014,609 -0.018,610 -0.038,611 -0.009,612 0.012,613 -0.056,614 -0.08,615 -0.076,616 0.028,617 -0.093,618 2.57,619 6.965,620 0.333,621 72.826,622 1.003,623 1.136,624 1.154,625 1.331,626 0.624,627 3.989,628 4.29,629 4.489,630 4.691,631 4.82,632 4.804,633 4.875,634 4.92,635 4.934,636 4.89,637 10.298,638 0.591,639 707.96,640 3.989,641 5.525,642 6.347,643 7.21,644 8.054,645 8.921,646 9.775,647 10.644,648 11.505,649 12.375,650 4.8,657 5,662 10,666 2,667 12,676 104,677 18,678 2,679 53,680 106,681 38,682 12,683 2,684 10,686 3,687 3,690 4,694 3,697 12,698 18,699 20,700 1,701 6,704 6,708 6,713 53,714 13,715 4,716 13,719 5,721 1,722 8,724 1,729 1,731 1,732 2,740 3,741 2,743 1,751 1,753 3,756 6,759 51,762 1,763 7,764 3,765 1,767 7,768 2,772 7.7,773 1,775 6,777 1,778 29.167,779 19.683,780 11.5,781 6.287,783 1.212,784 1.157,785 0.888,786 16.581,787 8.942,788 4.19,789 4.625,790 4.952,791 5.29,792 5.641,793 5.483,794 5.664,795 5.893,796 6.021,797 6.014,798 1,799 77,800 19.348,801 8.381,802 8.013,803 35.81,804 28.895,805 2.513,806 128.167,809 576.784,810 203.741,811 60.281,813 204.553,816 203.741,817 781.337,818 60.281,819 54.58,820 77.594,821 137.446,822 181.584,823 17.371,825 576.784,827 576.784,828 264.022,829 204.553,831 423.76,832 314.894,833 42.683,835 112.895,836 151.128,839 576.784,840 264.834,841 203.741,844 576.784,845 54.399,846 155.591,847 54.032,848 204.553,849 576.784,850 264.834,851 203.741,852 0.576,853 0.327,854 0.173,855 0.094,856 26,857 17,858 0.17,859 18,861 1,862 5.437,863 527.26,865 17,866 279.294,870 41.64,871 20.309,872 12.742,874 264.834,875 18.46,879 1.681,880 96.716,881 1045.36,882 65,885 78.86,889 -2.985,891 104.334,892 118.132,893 0.227,894 0.519,895 0.763,896 0.862,897 0.882,898 0.893,899 5.442,900 2.229,901 6.34,902 6.853,903 4.977,904 5.313,905 3.801,906 7.128,907 4.939,908 6.602,909 2.104,910 7.897,911 6.067,912 4.635,913 5.037,914 3.394,915 8.015,916 4.582,917 7.874,918 1.996,919 9.554,920 5.799,921 6.553,922 7.213,923 4.98,924 11.107,925 6.465,926 9.171,927 1.92,928 11.27,929 5.054,930 6.995,931 7.652,932 5.215,933 12.81,934 6.88,935 10.496,936 1.576,937 13.024,938 4.878,939 8.412,940 9.376,941 6.369,942 15.443,943 8.265,944 11.839,945 1.481,946 14.805,947 4.076,948 9.207,949 10.119,950 6.896,951 17.499,952 9.022,953 13.196,954 1.471,955 16.606,956 3.323,957 10.434,958 11.668,959 7.88,960 19.97,961 10.217,962 3.215,963 1.165,964 18.422,965 3.2,966 11.398,967 12.565,968 8.565,969 22.193,970 11.139,971 2.969,972 11.19,973 20.251,974 2.93,975 12.552,976 14.026,977 9.48,978 24.606,979 12.258,980 2.889,981 9.85,982 22.09,983 3.54,984 13.597,985 15.014,986 10.255,987 26.911,988 13.261,989 2.807,990 8.98,991 23.938,992 3.462,993 14.727,994 16.421,995 11.147,996 29.306,997 14.353,998 2.576,999 8.811,1000 25.793,1001 3.39,1002 15.814,1003 17.471,1004 11.974,1005 31.655,1006 15.397,1007 2.439,1008 7.947,1009 27.654,1010 3.266,1011 16.938,1012 18.84,1013 12.861,1014 34.046,1015 16.483,1016 2.378,1017 6.879,1018 29.521,1019 3.127,1020 18.048,1021 19.936,1022 13.719,1023 36.419,1024 17.55,1025 46749,1026 76920,1027 33.232,1028 64.938,1029 79.498,1030 83.181,1031 82.514,1032 77.925,1033 77.911,1034 92.476,1035 28.618,1036 218.188,1037 76.581,1038 5.332,1039 6.01,1040 6.635,1041 5.238,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 36.5,1048 1.5,1049 1.569,1050 1.557,1051 1.47,1052 1.47,1053 1.745,1054 0.54,1055 4.117,1056 1.445,1057 4.01,1058 4.052,1059 3.933,1060 3.905,1061 7.443,1062 3.902,1063 3.931,1064 3.967,1065 3.855,1066 3.858,1067 7.43,1068 3.852,1069 3.865,1070 3.906,1071 3.784,1072 3.729,1073 7.428,1074 3.738,1075 3.844,1076 3.891,1077 3.76,1078 3.684,1079 7.426,1080 3.69,1081 3.735,1082 3.781,1083 3.652,1084 3.558,1085 7.424,1086 3.57,1087 3.7,1088 3.753,1089 3.592,1090 3.534,1091 7.421,1092 3.541,1093 3.554,1094 3.61,1095 3.436,1096 3.353,1097 6.448,1098 3.362,1099 3.515,1100 3.565,1101 3.412,1102 3.305,1103 4.765,1104 3.323,1105 0.082,1106 0.076,1107 0.129,1108 0.079,1109 0.061,1110 4.336,1111 0.067,1112 4.01,1113 0.047,1114 6.833,1115 0.211,1116 4.179,1117 0.058,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.93,1124 1.899,1125 2.064,1126 2.041,1127 1.323,1128 2.045,1129 1.929,1130 1.899,1131 2.058,1132 2.031,1133 1.3,1134 2.04,1135 1.801,1136 1.751,1137 2.014,1138 1.982,1139 1.262,1140 1.989,1141 1.7,1142 1.655,1143 1.878,1144 1.902,1145 1.215,1146 1.897,1147 1.679,1148 1.633,1149 1.866,1150 1.867,1151 1.052,1152 1.871,1153 1.618,1154 1.574,1155 1.858,1156 1.832,1157 1.038,1158 1.822,1159 1.564,1160 1.504,1161 1.768,1162 1.772,1163 0.993,1164 1.788,1165 1.471,1166 1.418,1167 1.709,1168 1.73,1169 0.871,1170 1.722,1171 4.673,1173 5.979,1174 2.398,1175 7.454,1176 4.595,1177 9.007,1178 6.605,1179 10.605,1180 9.379,1184 10.961,1185 1.793,1186 8.121,1187 4.93,1189 -5.796,1190 2.764,1192 61.469,1193 158.235,1194 361.383,1195 531.939,1196 600.807,1197 614.316,1198 622.316,1199 284.927,1200 7.729,1201 174.45,1202 174.45,1203 17,1204 12.92,1205 4.248,1206 3.7,1207 129.665,1208 319,1209 320,1210 0.192,1211 383.912,1212 700.72,1213 928.505,1214 24890,1216 37.664,1217 0.739,1218 0.597,1219 37.664,1220 30.464,1221 24.209,1222 0.457,1223 0.33,1224 17.235,1225 23.192,1226 16.653,1227 13.914,1228 24.209,1229 17.49,1230 21.888,1231 0.304,1232 0.189,1233 21.888,1234 13.616,1235 16.824,1236 0.191,1237 0.102,1238 16.824,1239 9.015,1240 13.238,1241 0.123,1242 0.059,1243 13.238,1244 6.366,1245 9.924,1246 0.081,1247 0.032,1248 9.924,1249 3.994,1250 0.307,1251 152.792,1252 0.173,1253 43.707,1254 0.511,1255 250,1256 794.587,1257 279.702,1258 746.239,1259 966.5,1260 690,1261 285,1262 656.538,1263 313.851,1264 659.219,1265 950.16,1266 616,1267 5.305} {0 CHEMBL2181013,1 1.564,2 19,3 1.391,4 1.936,5 220.267,6 6.91,7 0.194,8 4.849,9 4.981,10 4.309,11 4.298,12 5.963,13 4.274,14 5.424,15 5.616,16 4.666,17 4.69,18 6.517,19 4.635,20 5.758,21 5.977,22 4.787,23 4.881,24 6.864,25 4.806,26 5.895,27 6.122,28 4.891,29 4.937,30 7.049,31 4.881,32 5.953,33 6.167,34 5.02,35 5.014,36 7.289,37 4.965,38 6.052,39 6.28,40 5.038,41 5.125,42 7.237,43 5.053,44 6.136,45 6.367,46 5.074,47 5.182,48 7.344,49 5.103,50 6.153,51 6.386,52 5.051,53 5.193,54 7.362,55 5.098,56 0.147,57 1.701,58 27.172,59 10.851,60 33.67,61 15.204,62 0.849,63 2.641,64 51.423,65 17.569,66 113.331,67 25.972,68 1.484,69 3.287,70 74.904,71 22.832,72 209.232,73 33.737,74 1.617,75 3.524,76 87.535,77 24.371,78 296.577,79 36.675,80 2.499,81 3.826,82 93.19,83 25.376,84 435.011,85 38.289,86 2.082,87 4.215,88 101.862,89 29.772,90 328.875,91 44.266,92 2.232,93 4.409,94 111.468,95 33.142,96 431.201,97 48.81,98 2.463,99 4.524,100 113.253,101 33.495,102 439.249,103 49.924,104 293,105 84,106 0.22,107 0.497,108 0.735,109 0.848,110 0.872,111 0.881,112 4.113,113 0.981,114 -1.11,115 -1.21,116 -1.29,117 35.5,118 4,119 8,120 1,122 2,123 1,125 7,135 10,136 2,145 8,148 1,149 1,150 1,154 19,156 3,157 6,159 1,160 5,162 8,163 19,165 1,166 4,167 10,169 4,170 3,171 8,174 11,176 1,178 15,181 1,182 1,183 7,186 5,189 8,190 18,192 5,193 2,194 12,196 1,197 9,200 3,201 18,203 1,204 6,205 2,206 9,207 1,208 11,211 2,212 18,214 1,215 3,216 1,217 11,220 16,222 1,223 6,224 20,226 3,227 2,228 16,231 17,233 1,236 18,239 5,240 1,241 11,242 1,243 15,245 2,246 10414,247 38.819,248 38.819,249 38.819,250 38.819,251 38.819,252 36.146,253 40.659,254 23.106,255 39.254,256 30.447,257 30.447,258 30.447,259 30.447,260 30.447,261 26.155,262 38.267,263 10.896,264 30.954,265 5.355,266 3.39,267 1.699,268 0.899,269 0.732,270 0.666,271 4.784,276 2329,277 7.81,279 237.899,280 560.515,285 2.867,286 114.314,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 133.5,297 1140,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.109,308 3.858,309 6.47,310 3.942,311 2.97,312 3.463,313 2.028,314 9.85,315 2.882,316 4.064,317 3.769,318 6.183,319 3.908,320 2.935,321 3.39,322 1.976,323 9.171,324 2.851,325 3.986,326 3.752,327 6.103,328 3.811,329 2.828,330 3.266,331 1.97,332 8.876,333 2.768,334 3.916,335 3.641,336 5.947,337 3.695,338 2.709,339 3.173,340 1.938,341 8.365,342 2.666,343 3.882,344 3.542,345 5.893,346 3.573,347 2.575,348 3.122,349 1.891,350 7.945,351 2.565,352 3.728,353 3.511,354 5.379,355 3.431,356 2.434,357 2.894,358 1.889,359 6.879,360 2.422,361 3.672,362 3.481,363 5.316,364 3.374,365 2.377,366 2.826,367 1.886,368 6.848,369 2.362,370 3.534,371 2.971,372 5.195,373 3.221,374 2.194,375 2.697,376 0.713,377 6.021,378 2.238,379 3.494,380 2.802,381 4.986,382 3.168,383 2.157,384 2.647,385 0.553,386 5.753,387 2.165,388 3.359,389 2.563,390 4.705,391 3.094,392 2.103,393 2.452,394 0.315,395 5.15,396 2.086,397 3.193,398 2.558,399 4.67,400 3.046,401 2.027,402 2.223,403 0.313,404 5.054,405 2.047,406 3.111,407 2.361,408 4.642,409 2.916,410 1.938,411 2.149,412 0.263,413 5.033,414 1.868,415 2.887,416 2.29,417 4.501,418 2.556,419 1.58,420 2.032,421 0.103,422 4.102,423 1.53,424 2.88,425 2.133,426 4.141,427 2.479,428 1.484,429 1.996,430 0.062,431 3.599,432 1.474,433 27.633,434 0.461,435 1.765,436 0.029,437 61.5,438 1.025,439 24,440 0.4,441 37.5,442 0.625,443 84.891,444 1.415,445 70.767,446 0.585,447 74.534,448 1.242,449 12.276,450 0.205,451 16.13,452 0.269,453 0.232,455 0.355,459 0.733,460 1.512,461 0.884,462 1.294,463 0.61,464 1.134,465 0.622,466 1.297,467 0.885,468 1.171,469 0.537,470 1.09,471 1.006,472 1.048,473 1.073,474 1.073,475 1.042,476 1.08,477 1.274,478 1.095,479 1.015,480 0.988,481 1.292,482 0.95,483 1.136,484 1.047,485 1.04,486 0.966,487 1.112,488 0.974,489 1.101,490 0.988,491 1.048,492 1.004,493 1.1,494 1.007,495 1.143,496 1.037,497 1.009,498 1.01,499 1.172,500 0.99,501 1.036,502 1.067,503 1.067,504 1.072,505 1.043,506 1.076,507 14,508 0.727,509 6.889,510 4.306,511 4.232,512 2.594,513 2.211,514 1.594,515 1.105,516 0.92,517 72579,518 208579,519 1.903,520 50.4,521 7,522 25,525 7,526 7,527 15,529 1.897,530 1.731,531 4.157,532 3.34,535 189.207,536 1.564,537 3.529,538 5.22,539 6.02,540 6.187,541 6.253,542 3.556,543 5.628,544 5.882,545 4.407,546 7799.56,547 10.545,548 187783,552 837.182,553 1.566,554 5.8,555 0.226,556 0.007,557 0.082,558 0.048,559 0.042,560 0.023,561 0.019,562 0.013,563 0.01,564 0.009,565 0.48,566 0.17,567 0.5,568 1.522,569 382.135,570 -0.064,571 -0.132,572 0.013,573 -0.038,574 -0.048,576 0.14,577 -0.088,578 0.051,579 -0.053,580 0.076,581 -0.029,582 -0.022,583 0.053,584 -0.087,585 -0.051,586 -0.093,587 -0.081,588 -0.127,589 -0.077,590 0.003,591 -0.006,592 -0.116,593 0.023,594 0.071,595 0.013,596 -0.011,597 0.01,598 0.1,599 -0.013,600 -0.044,601 0.063,602 -0.046,603 -0.01,604 -0.037,605 -0.024,606 -0.048,607 -0.045,608 -0.005,609 -0.006,610 -0.019,611 0.002,612 0.009,613 -0.057,614 -0.069,615 -0.073,616 0.01,617 -0.086,618 2.798,619 7.061,620 0.283,621 94.138,622 1.007,623 1.139,624 -0.118,625 0.014,626 0.621,627 4.143,628 4.443,629 4.625,630 4.82,631 4.963,632 4.963,633 5.043,634 5.1,635 5.124,636 5.106,637 11.552,638 0.591,639 836.11,640 4.143,641 5.68,642 6.497,643 7.357,644 8.197,645 9.061,646 9.913,647 10.779,648 11.638,649 12.506,650 5.8,657 7,662 10,666 2,667 12,676 121,677 20,678 2,679 62,680 123,681 43,682 12,683 2,684 10,686 3,687 3,690 4,694 3,697 15,698 20,699 23,700 1,701 8,704 8,708 8,713 61,714 17,715 7,716 17,719 7,721 1,722 10,724 1,729 1,731 1,732 2,739 1,740 4,741 2,743 1,751 1,753 3,756 6,759 60,760 1,762 1,763 9,764 4,765 1,767 8,768 2,772 8.3,773 1,775 8,777 1,778 34.667,779 22.433,780 13.528,781 7.225,783 1.14,784 1.143,785 0.889,786 20.503,787 9.126,788 4.344,789 4.771,790 5.066,791 5.386,792 5.736,793 5.597,794 5.776,795 6,796 6.148,797 6.196,798 1,799 90,800 22.839,801 9.986,802 8.106,803 41.747,804 33.582,805 2.606,806 156.333,809 635.64,810 218.22,811 111.189,813 254.843,816 218.22,817 890.482,818 111.189,819 54.58,820 133.571,821 137.446,822 241.283,823 17.371,825 635.64,827 635.64,828 329.409,829 254.843,831 459.073,832 388.726,833 42.683,835 168.872,836 160.537,839 635.64,840 366.031,841 218.22,844 635.64,845 68.877,846 155.591,847 72.043,848 287.74,849 635.64,850 366.031,851 218.22,852 0.576,853 0.321,854 0.167,855 0.093,856 29,857 20,858 0.187,859 23,861 1,862 5.974,863 656.737,865 17,866 344.413,870 49.853,871 24.677,872 16.133,874 366.031,875 18.005,879 1.511,880 147.624,881 1219.89,882 76,885 104.494,889 -4.805,891 121.843,892 137.793,893 0.226,894 0.51,895 0.754,896 0.87,897 0.894,898 0.904,899 5.598,900 2.377,901 6.491,902 6.879,903 5.13,904 5.46,905 4.044,906 7.272,907 5.097,908 6.759,909 2.194,910 8.044,911 6.848,912 4.796,913 5.215,914 3.627,915 8.148,916 4.754,917 8.031,918 2.157,919 9.697,920 6.021,921 6.701,922 7.346,923 5.201,924 11.229,925 6.622,926 9.327,927 2.103,928 11.408,929 5.753,930 7.14,931 7.81,932 5.412,933 12.917,934 7.04,935 10.65,936 2.027,937 13.156,938 5.15,939 8.55,940 9.492,941 6.554,942 15.541,943 8.416,944 11.99,945 1.938,946 14.931,947 5.054,948 9.337,949 10.255,950 7.054,951 17.583,952 9.171,953 13.344,954 1.58,955 16.726,956 5.033,957 10.559,958 11.768,959 8.025,960 20.045,961 10.36,962 3.215,963 1.484,964 18.537,965 4.102,966 11.515,967 12.679,968 8.686,969 22.257,970 11.276,971 2.97,972 11.19,973 20.36,974 3.599,975 12.664,976 14.113,977 9.587,978 24.661,979 12.39,980 2.935,981 9.85,982 22.193,983 3.54,984 13.702,985 15.11,986 10.342,987 26.958,988 13.388,989 2.828,990 9.171,991 24.035,992 3.463,993 14.827,994 16.497,995 11.221,996 29.346,997 14.475,998 2.709,999 8.876,1000 25.884,1001 3.39,1002 15.908,1003 17.552,1004 12.034,1005 31.689,1006 15.514,1007 2.575,1008 8.365,1009 27.74,1010 3.266,1011 17.027,1012 18.906,1013 12.911,1014 34.075,1015 16.595,1016 2.434,1017 7.945,1018 29.601,1019 3.173,1020 18.131,1021 20.004,1022 13.759,1023 36.443,1024 17.657,1025 72279,1026 122720,1027 38.608,1028 75.143,1029 92.905,1030 97.529,1031 96.283,1032 91.12,1033 91.119,1034 107.822,1035 36.751,1036 254.172,1037 89.814,1038 5.333,1039 6.01,1040 6.635,1041 5.238,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 45.43,1048 1.498,1049 1.573,1050 1.553,1051 1.47,1052 1.47,1053 1.739,1054 0.593,1055 4.1,1056 1.449,1057 4.019,1058 4.061,1059 3.94,1060 3.909,1061 7.448,1062 3.907,1063 3.934,1064 3.971,1065 3.859,1066 3.859,1067 7.434,1068 3.852,1069 3.865,1070 3.906,1071 3.784,1072 3.731,1073 7.43,1074 3.74,1075 3.846,1076 3.892,1077 3.762,1078 3.687,1079 7.43,1080 3.695,1081 3.806,1082 3.852,1083 3.723,1084 3.631,1085 7.426,1086 3.643,1087 3.723,1088 3.773,1089 3.636,1090 3.538,1091 7.424,1092 3.553,1093 3.676,1094 3.725,1095 3.559,1096 3.52,1097 7.424,1098 3.521,1099 3.55,1100 3.6,1101 3.457,1102 3.349,1103 7.421,1104 3.356,1105 0.07,1106 0.065,1107 0.11,1108 0.067,1109 0.052,1110 4.336,1111 0.057,1112 4.01,1113 0.04,1114 6.833,1115 0.18,1116 4.179,1117 0.05,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.043,1127 1.325,1128 2.047,1129 1.929,1130 1.899,1131 2.058,1132 2.035,1133 1.303,1134 2.041,1135 1.802,1136 1.752,1137 2.014,1138 1.982,1139 1.262,1140 1.989,1141 1.751,1142 1.705,1143 1.933,1144 1.949,1145 1.222,1146 1.945,1147 1.699,1148 1.654,1149 1.877,1150 1.9,1151 1.215,1152 1.897,1153 1.649,1154 1.603,1155 1.858,1156 1.84,1157 1.051,1158 1.846,1159 1.618,1160 1.574,1161 1.847,1162 1.832,1163 1.037,1164 1.822,1165 1.563,1166 1.503,1167 1.767,1168 1.771,1169 0.993,1170 1.787,1171 4.828,1173 6.133,1174 2.398,1175 7.602,1176 4.595,1177 9.148,1178 6.605,1179 10.739,1180 9.104,1183 5.268,1184 11.382,1185 0.952,1186 10.561,1187 4.939,1189 -7.787,1190 2.71,1192 71.521,1193 189.207,1194 427.003,1195 631.643,1196 728.388,1197 748.653,1198 756.653,1199 412.822,1200 7.986,1201 246.64,1202 246.64,1203 17,1204 13.053,1205 4.392,1206 3.907,1207 169.955,1208 420,1209 382,1210 0.188,1211 447.6,1212 821.52,1213 1083.9,1214 34507,1216 44.518,1217 0.742,1218 0.589,1219 44.518,1220 35.349,1221 28.407,1222 0.458,1223 0.327,1224 19.966,1225 27.147,1226 19.355,1227 16.133,1228 28.407,1229 20.276,1230 25.832,1231 0.308,1232 0.187,1233 25.832,1234 15.682,1235 19.418,1236 0.192,1237 0.102,1238 19.418,1239 10.328,1240 15.09,1241 0.123,1242 0.058,1243 15.09,1244 7.189,1245 11.517,1246 0.081,1247 0.032,1248 11.517,1249 4.562,1250 0.303,1251 179.834,1252 0.161,1253 49.547,1254 0.499,1255 292,1256 967.703,1257 329.212,1258 907.327,1259 1165.18,1260 836,1261 331,1262 784.627,1263 366.087,1264 785.373,1265 1128.73,1266 734,1267 7.111} {0 CHEMBL2181014,1 1.512,2 16.25,3 2.697,4 7.276,5 165.221,6 6.787,7 0.267,8 4.545,9 4.674,10 3.991,11 4.01,12 5.652,13 3.978,14 5.104,15 5.297,16 4.326,17 4.381,18 6.178,19 4.319,20 5.417,21 5.631,22 4.445,23 4.569,24 6.515,25 4.487,26 5.578,27 5.812,28 4.527,29 4.627,30 6.707,31 4.551,32 5.622,33 5.843,34 4.653,35 4.681,36 6.927,37 4.62,38 5.702,39 5.935,40 4.624,41 4.739,42 6.869,43 4.662,44 5.717,45 5.95,46 4.586,47 4.729,48 6.937,49 4.639,50 5.669,51 5.917,52 4.468,53 4.675,54 6.839,55 4.557,56 0.067,57 1.232,58 20.341,59 8.349,60 21.204,61 11.548,62 0.562,63 1.905,64 37.676,65 13.178,66 74.369,67 19.205,68 0.915,69 2.389,70 53.087,71 16.905,72 132.599,73 24.659,74 1.047,75 2.593,76 63.645,77 18.688,78 197.377,79 27.733,80 1.546,81 2.749,82 66.869,83 19.049,84 279.487,85 28.368,86 1.249,87 2.893,88 72.387,89 21.175,90 207.42,91 31.017,92 1.44,93 2.85,94 73.877,95 21.901,96 278.997,97 31.809,98 1.368,99 2.788,100 69.956,101 20.597,102 249.31,103 31.046,104 163,105 60,106 0.227,107 0.52,108 0.739,109 0.826,110 0.845,111 0.859,112 3.81,113 0.986,114 -2.97,115 -2.98,116 -2.87,117 36.7,118 4,119 4,120 1,122 2,125 5,135 10,136 2,145 5,154 17,156 2,157 3,160 3,162 6,163 19,166 2,167 6,169 3,170 2,171 5,174 11,178 9,181 1,182 1,183 6,186 5,189 5,190 14,192 3,193 1,194 11,197 7,201 16,204 4,206 6,208 8,211 1,212 13,215 2,216 1,217 8,220 9,223 4,224 12,226 1,227 1,228 9,231 6,236 7,239 2,241 7,243 9,246 4676,247 28.405,248 28.405,249 28.405,250 28.405,251 28.405,252 26.175,253 26.822,254 17.03,255 28.755,256 22.091,257 22.091,258 22.091,259 22.091,260 22.091,261 18.621,262 24.278,263 8.032,264 22.478,265 4.98,266 3.02,267 1.562,268 0.978,269 0.85,270 0.761,271 4.472,276 1448,277 6.708,280 406.444,285 2.523,286 71.601,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 97,297 715,298 4.239,299 3.956,300 6.639,301 4.068,302 3.102,303 3.5,304 2.474,305 10.415,306 2.99,307 4.037,308 3.785,309 6.128,310 3.878,311 2.901,312 3.462,313 2.004,314 8.99,315 2.831,316 3.985,317 3.669,318 6.083,319 3.805,320 2.826,321 3.336,322 1.951,323 8.825,324 2.76,325 3.883,326 3.562,327 5.884,328 3.592,329 2.596,330 3.162,331 1.907,332 7.951,333 2.578,334 3.767,335 3.52,336 5.316,337 3.436,338 2.439,339 2.951,340 1.889,341 6.857,342 2.428,343 3.704,344 2.955,345 5.299,346 3.378,347 2.386,348 2.879,349 0.666,350 6.76,351 2.358,352 3.552,353 2.76,354 5.029,355 3.24,356 2.228,357 2.716,358 0.334,359 5.986,360 2.24,361 3.293,362 2.56,363 4.853,364 3.08,365 2.079,366 2.378,367 0.261,368 5.26,369 2.077,370 3.164,371 2.381,372 4.613,373 2.983,374 1.969,375 2.174,376 0.149,377 4.892,378 1.979,379 2.952,380 2.322,381 4.594,382 2.687,383 1.734,384 2.091,385 0.098,386 4.563,387 1.634,388 2.886,389 1.98,390 4.047,391 2.486,392 1.492,393 2.029,395 3.36,396 1.48,397 2.814,398 1.794,399 3.869,400 2.468,401 1.474,402 1.828,404 3.208,405 1.463,406 2.5,407 1.688,408 3.688,409 2.145,410 1.159,411 1.5,413 2.912,414 1.129,415 2.5,416 1.564,417 3.533,418 2,419 1,420 1.5,422 2.485,423 1,424 2.395,425 1.461,426 3.471,427 2,428 1,429 1.313,431 2.136,432 1,433 20.433,434 0.464,435 1.271,436 0.029,437 46.25,438 1.051,439 19.5,440 0.443,441 26.75,442 0.608,443 54.097,444 1.229,445 51.567,446 0.573,447 48.323,448 1.098,449 9.394,450 0.213,451 11.421,452 0.26,453 0.245,455 0.338,459 0.738,460 1.469,461 0.903,462 1.285,463 0.624,464 1.141,465 0.668,466 1.233,467 0.896,468 1.118,469 0.577,470 1.056,471 1.02,472 1.086,473 1.099,474 1.098,475 1.072,476 1.105,477 1.231,478 1.07,479 1.01,480 0.98,481 1.264,482 0.954,483 1.119,484 1.043,485 1.016,486 0.983,487 1.08,488 0.971,489 1.315,490 0.976,491 1.076,492 0.977,493 1.303,494 0.975,495 1.325,496 1.034,497 1.081,498 0.996,499 1.382,500 1,501 1.032,502 1.066,503 1.089,504 1.058,505 1.086,506 1.076,507 10.5,508 0.438,509 4.667,510 3.25,511 3.022,512 1.736,513 1.451,514 0.958,515 0.683,516 0.542,517 31553,518 86970,519 1.883,520 51.1,521 7,522 21,525 4,526 5,527 9,529 1.825,530 1.714,531 3.943,532 1.377,535 136.066,536 1.512,537 3.472,538 4.93,539 5.514,540 5.642,541 5.73,542 3.362,543 5.05,544 5.433,545 4.157,546 3932.88,547 9.637,548 75960.4,552 584.267,553 1.564,554 5.352,555 0.233,556 0.008,557 0.078,558 0.051,559 0.044,560 0.023,561 0.019,562 0.013,563 0.011,564 0.009,565 0.489,566 0.17,567 0.63,568 1.164,569 257.96,570 -0.051,571 -0.13,572 0.013,573 -0.047,574 -0.056,575 -0.011,576 0.136,577 -0.052,578 0.055,579 -0.022,580 0.062,581 -0.005,582 -0.014,583 0.023,584 -0.108,585 -0.077,586 -0.092,587 -0.108,588 -0.084,589 -0.064,590 0.007,591 -0.007,592 -0.076,593 0.014,594 0.102,595 0.001,596 0.016,597 -0.018,598 0.138,599 -0.015,600 -0.115,601 0.031,602 -0.049,603 -0.013,604 -0.095,605 -0.016,606 -0.075,607 -0.071,608 -0.052,609 -0.024,610 -0.043,611 -0.036,612 0.018,613 -0.073,614 -0.086,615 -0.099,616 0.016,617 -0.11,618 2.545,619 6.305,620 0.273,621 59.116,622 1.003,623 1.135,624 1.743,625 3.039,626 0.624,627 3.829,628 4.111,629 4.263,630 4.431,631 4.564,632 4.477,633 4.511,634 4.5,635 4.489,636 4.394,637 9.6,638 0.591,639 610.83,640 3.829,641 5.352,642 6.155,643 7.004,644 7.829,645 8.681,646 9.515,647 10.367,648 11.207,649 12.058,650 4.4,657 4,662 10,666 2,667 12,676 90,677 17,678 2,679 45,680 91,681 33,682 12,683 2,684 10,686 2,687 2,690 4,697 9,698 17,699 16,700 1,701 5,704 5,708 5,713 46,714 11,715 4,716 11,719 4,721 1,722 7,724 1,732 2,740 3,741 1,743 1,751 1,753 2,756 6,759 44,762 1,763 4,764 3,765 1,767 6,768 1,772 7.8,773 1,775 5,777 1,778 25.667,779 17.233,780 10,781 5.279,783 1.366,784 1.188,785 0.878,786 15.383,787 8.629,788 4.043,789 4.477,790 4.783,791 5.119,792 5.501,793 5.286,794 5.459,795 5.65,796 5.747,797 5.624,798 0.909,799 64,800 16.606,801 7.045,802 8.038,803 30.635,804 24.153,805 2.538,806 111.667,809 494.386,810 191.862,811 57.157,813 179.408,816 191.862,817 673.794,818 57.157,819 54.58,820 67.295,821 137.446,822 151.735,823 17.371,825 494.386,827 494.386,828 249.018,829 179.408,831 388.446,832 242.664,833 42.683,835 102.596,836 146.423,839 494.386,840 236.564,841 191.862,844 494.386,845 42.519,846 152.467,847 54.032,848 179.408,849 494.386,850 236.564,851 191.862,852 0.573,853 0.317,854 0.165,855 0.093,856 20,857 14,858 0.187,859 17,861 1,862 4.992,863 413.496,865 12,866 230.215,870 36.774,871 18.406,872 12.621,874 236.564,875 18.467,879 1.718,880 96.716,881 922.813,882 56,885 63.952,889 -2.586,891 90.254,892 102.178,893 0.233,894 0.535,895 0.759,896 0.849,897 0.869,898 0.883,899 5.278,900 2.079,901 6.142,902 5.986,903 4.796,904 5.165,905 3.624,906 6.899,907 4.762,908 6.439,909 1.969,910 7.681,911 5.26,912 4.443,913 4.868,914 3.238,915 7.722,916 4.4,917 7.704,918 1.734,919 9.319,920 4.892,921 6.344,922 7.071,923 4.824,924 10.782,925 6.268,926 8.993,927 1.492,928 11.013,929 4.563,930 6.746,931 7.459,932 5.076,933 12.397,934 6.649,935 10.307,936 1.474,937 12.743,938 3.36,939 8.16,940 9.229,941 6.235,942 14.998,943 8.033,944 11.638,945 1.159,946 14.499,947 3.208,948 8.91,949 9.916,950 6.78,951 16.965,952 8.751,953 12.983,954 1,955 16.275,956 2.912,957 10.129,958 11.512,959 7.772,960 19.39,961 9.942,962 3.102,963 1,964 18.065,965 2.485,966 11.051,967 12.356,968 8.473,969 21.529,970 10.825,971 2.901,972 10.415,973 19.868,974 2.136,975 12.188,976 13.859,977 9.398,978 23.886,979 11.933,980 2.826,981 8.99,982 21.68,983 3.5,984 13.196,985 14.8,986 10.186,987 26.112,988 12.901,989 2.596,990 8.825,991 23.501,992 3.462,993 14.304,994 16.242,995 11.086,996 28.443,997 13.976,998 2.439,999 7.951,1000 25.329,1001 3.336,1002 15.356,1003 17.252,1004 11.924,1005 30.715,1006 14.988,1007 2.386,1008 6.857,1009 27.163,1010 3.162,1011 16.454,1012 18.65,1013 12.818,1014 33.04,1015 16.051,1016 2.228,1017 6.76,1018 29.003,1019 2.951,1020 17.53,1021 19.712,1022 13.684,1023 35.338,1024 17.088,1025 31795,1026 52955,1027 27.857,1028 56.194,1029 66.894,1030 69.87,1031 69.185,1032 65.42,1033 65.442,1034 78.985,1035 23.469,1036 179.533,1037 64.415,1038 5.224,1039 5.956,1040 6.441,1041 5.116,1042 5.102,1043 6.5,1044 4.216,1045 17.729,1046 4.99,1047 31.904,1048 1.487,1049 1.553,1050 1.537,1051 1.454,1052 1.454,1053 1.755,1054 0.522,1055 3.99,1056 1.431,1057 3.985,1058 4.024,1059 3.906,1060 3.896,1061 7.441,1062 3.891,1063 3.924,1064 3.958,1065 3.849,1066 3.856,1067 7.43,1068 3.849,1069 3.848,1070 3.893,1071 3.766,1072 3.695,1073 7.428,1074 3.703,1075 3.749,1076 3.792,1077 3.671,1078 3.564,1079 7.425,1080 3.583,1081 3.708,1082 3.757,1083 3.606,1084 3.55,1085 7.421,1086 3.554,1087 3.578,1088 3.629,1089 3.467,1090 3.377,1091 6.448,1092 3.39,1093 3.539,1094 3.582,1095 3.435,1096 3.309,1097 4.765,1098 3.331,1099 3.396,1100 3.444,1101 3.276,1102 3.185,1103 4.74,1104 3.194,1105 0.094,1106 0.088,1107 0.148,1108 0.09,1109 0.069,1110 4.239,1111 0.078,1112 3.956,1113 0.055,1114 6.639,1115 0.231,1116 4.068,1117 0.066,1118 3.102,1119 3.5,1120 2.474,1121 10.415,1122 2.99,1123 1.93,1124 1.899,1125 2.064,1126 2.038,1127 1.323,1128 2.044,1129 1.927,1130 1.897,1131 2.057,1132 2.029,1133 1.3,1134 2.037,1135 1.801,1136 1.751,1137 2.014,1138 1.982,1139 1.251,1140 1.989,1141 1.686,1142 1.642,1143 1.875,1144 1.893,1145 1.052,1146 1.89,1147 1.677,1148 1.629,1149 1.865,1150 1.865,1151 1.033,1152 1.871,1153 1.519,1154 1.47,1155 1.741,1156 1.758,1157 0.903,1158 1.753,1159 1.461,1160 1.41,1161 1.707,1162 1.718,1163 0.825,1164 1.71,1165 1.348,1166 1.291,1167 1.618,1168 1.598,1169 0.745,1170 1.601,1171 4.511,1173 5.802,1175 7.261,1177 8.794,1179 10.369,1180 9.35,1184 10.861,1185 0.475,1186 8.054,1187 4.934,1189 -4.813,1190 1.255,1192 53.152,1193 136.066,1194 312.444,1195 443.724,1196 496.228,1197 507.737,1198 515.737,1199 259.284,1200 7.263,1201 154.14,1202 154.14,1203 12,1204 12.618,1205 4.17,1206 3.585,1207 129.914,1208 252,1209 244,1210 0.24,1211 335.48,1212 609.43,1213 810.332,1214 13899,1216 32.811,1217 0.746,1218 0.6,1219 32.811,1220 26.41,1221 20.815,1222 0.463,1223 0.329,1224 14.577,1225 19.953,1226 14.019,1227 11.787,1228 20.815,1229 14.791,1230 18.77,1231 0.313,1232 0.19,1233 18.77,1234 11.426,1235 13.849,1236 0.198,1237 0.103,1238 13.849,1239 7.194,1240 10.601,1241 0.128,1242 0.059,1243 10.601,1244 4.887,1245 8.083,1246 0.085,1247 0.033,1248 8.083,1249 3.125,1250 0.385,1251 131.314,1252 0.189,1253 39.128,1254 0.635,1255 210,1256 681.207,1257 234.74,1258 641.253,1259 825.46,1260 592,1261 235,1262 554.732,1263 258.111,1264 559.489,1265 798.75,1266 521,1267 5.818} {0 CHEMBL2181015,1 1.554,2 21.3,3 2.01,4 4.04,5 257.802,6 6.801,7 0.167,8 5.02,9 5.153,10 4.462,11 4.455,12 6.125,13 4.43,14 5.6,15 5.798,16 4.829,17 4.853,18 6.673,19 4.798,20 5.939,21 6.155,22 4.989,23 5.061,24 7.076,25 4.989,26 6.104,27 6.334,28 5.085,29 5.131,30 7.261,31 5.076,32 6.162,33 6.378,34 5.211,35 5.219,36 7.48,37 5.169,38 6.266,39 6.491,40 5.259,41 5.349,42 7.456,43 5.273,44 6.392,45 6.628,46 5.272,47 5.414,48 7.573,49 5.325,50 6.411,51 6.659,52 5.264,53 5.42,54 7.586,55 5.317,56 0.172,57 2.006,58 32.996,59 12.981,60 41.949,61 18.314,62 1,63 3.115,64 62.25,65 20.838,66 133.257,67 31.042,68 1.801,69 3.918,70 90.164,71 27.492,72 257.623,73 40.852,74 2.006,75 4.285,76 108.55,77 29.144,78 360.503,79 44.666,80 3.07,81 4.658,82 115.623,83 30.973,84 530.028,85 47.097,86 2.492,87 5.211,88 126.082,89 37.707,90 400.274,91 56.065,92 2.853,93 5.567,94 144.727,95 41.737,96 543.923,97 62.48,98 3.238,99 5.665,100 147.816,101 42.716,102 570.639,103 64.705,104 493,105 99,106 0.212,107 0.476,108 0.712,109 0.834,110 0.867,111 0.881,112 4.264,113 0.992,114 -0.52,115 -0.65,116 -0.79,117 34.7,118 6,119 8,120 2,122 3,123 1,125 9,135 10,136 2,145 9,148 1,149 1,150 1,154 21,156 4,157 6,159 1,160 5,162 8,163 20,165 1,166 5,167 14,169 7,170 3,171 10,174 11,176 1,178 20,181 1,182 1,183 7,186 4,189 11,190 20,191 1,192 5,193 1,194 12,197 10,200 3,201 23,203 1,204 10,205 2,206 11,207 1,208 16,211 2,212 22,214 1,215 3,216 1,217 10,220 17,223 8,224 24,226 5,227 2,228 16,230 1,231 17,233 2,236 22,239 6,240 3,241 17,242 1,243 18,245 4,246 15366,247 44.854,248 44.854,249 44.854,250 44.854,251 44.854,252 42.153,253 47.534,254 26.318,255 45.427,256 35.254,257 35.254,258 35.254,259 35.254,260 35.254,261 30.754,262 45.189,263 12.314,264 35.945,265 5.616,266 3.677,267 1.952,268 1.054,269 0.811,270 0.714,271 4.932,276 3030,277 8.718,279 284.668,280 667.62,285 3.034,286 141.944,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 156,297 1491,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.267,308 3.946,309 6.714,310 4.117,311 3.145,312 3.467,313 2.033,314 10.682,315 3.051,316 4.108,317 3.858,318 6.47,319 3.94,320 2.969,321 3.418,322 2.028,323 9.85,324 2.879,325 4.031,326 3.755,327 6.244,328 3.879,329 2.904,330 3.39,331 1.99,332 9.211,333 2.826,334 3.981,335 3.74,336 6.112,337 3.806,338 2.824,339 3.266,340 1.976,341 8.898,342 2.764,343 3.915,344 3.642,345 6.051,346 3.715,347 2.736,348 3.133,349 1.938,350 8.658,351 2.675,352 3.882,353 3.625,354 5.894,355 3.574,356 2.576,357 3.108,358 1.926,359 7.947,360 2.565,361 3.77,362 3.54,363 5.706,364 3.522,365 2.525,366 2.94,367 1.889,368 7.29,369 2.504,370 3.711,371 3.511,372 5.379,373 3.431,374 2.434,375 2.882,376 1.886,377 6.879,378 2.421,379 3.665,380 2.976,381 5.316,382 3.374,383 2.377,384 2.81,385 0.713,386 6.85,387 2.362,388 3.533,389 2.802,390 5.217,391 3.221,392 2.194,393 2.695,394 0.635,395 6.073,396 2.237,397 3.411,398 2.586,399 5.191,400 3.155,401 2.156,402 2.497,403 0.553,404 5.838,405 2.139,406 3.196,407 2.559,408 4.97,409 3.093,410 2.103,411 2.225,412 0.359,413 5.527,414 2.081,415 3.169,416 2.547,417 4.702,418 2.971,419 1.982,420 2.195,421 0.315,422 5.145,423 1.952,424 3.111,425 2.361,426 4.658,427 2.913,428 1.928,429 2.148,430 0.263,431 5.054,432 1.868,433 32.2,434 0.46,435 2.212,436 0.032,437 69.25,438 0.989,439 25.5,440 0.364,441 43.75,442 0.625,443 110.74,444 1.582,445 83.6,446 0.581,447 91.84,448 1.312,449 13.575,450 0.194,451 19.385,452 0.277,453 0.266,455 0.379,459 0.751,460 1.565,461 0.904,462 1.333,463 0.641,464 1.167,465 0.645,466 1.281,467 0.877,468 1.149,469 0.559,470 1.067,471 0.946,472 1.105,473 1.04,474 1.11,475 0.988,476 1.093,477 1.316,478 1.095,479 1.037,480 0.974,481 1.329,482 0.944,483 1.19,484 1.018,485 1.067,486 0.942,487 1.175,488 0.964,489 1.029,490 1.06,491 1.037,492 1.075,493 1.051,494 1.056,495 1.191,496 1.045,497 1.06,498 1.021,499 1.221,500 1.016,501 0.999,502 1.005,503 1.011,504 1.003,505 1.015,506 1.01,507 16.5,508 1.004,509 9.111,510 5.556,511 5.032,512 3.483,513 2.62,514 1.969,515 1.549,516 1.159,517 108125,518 305392,519 1.878,520 51.4,521 13,522 30,525 8,526 4,527 19,529 1.93,530 1.694,531 4.312,532 3.934,535 223.757,536 1.554,537 3.493,538 5.218,539 6.116,540 6.359,541 6.456,542 3.713,543 5.64,544 6.105,545 4.558,546 11007.8,547 10.992,548 294128,552 1032.47,553 1.581,554 6.011,555 0.229,556 0.008,557 0.092,558 0.051,559 0.042,560 0.026,561 0.018,562 0.014,563 0.011,564 0.008,565 0.498,566 0.17,567 0.5,568 1.788,569 463.572,570 -0.066,571 -0.16,572 0.012,573 -0.048,574 -0.059,575 -0.008,576 0.124,577 -0.059,578 0.07,579 -0.023,580 0.063,581 0.004,582 0.034,583 0.016,584 -0.05,585 -0.068,586 -0.043,587 -0.079,588 -0.151,589 -0.062,590 -0.011,591 0.003,592 -0.125,593 0.025,594 0.032,595 0.056,596 -0.029,597 0.038,598 0.067,600 -0.003,601 0.013,602 -0.039,603 -0.05,604 -0.007,605 -0.052,606 -0.089,607 -0.047,608 -0.051,609 -0.022,610 -0.059,611 -0.027,612 0.027,613 -0.013,614 -0.012,615 -0.016,616 0.017,617 -0.022,618 2.902,619 7.181,620 0.243,621 119.087,622 1.006,623 1.14,624 -0.705,625 0.498,626 0.615,627 4.29,628 4.605,629 4.804,630 4.977,631 5.118,632 5.142,633 5.187,634 5.252,635 5.298,636 5.273,637 12.733,638 0.584,639 979.32,640 4.29,641 5.838,642 6.663,643 7.528,644 8.376,645 9.244,646 10.103,647 10.974,648 11.838,649 12.711,650 5.6,657 8,662 10,666 2,667 12,676 144,677 21,678 2,679 72,680 146,681 50,682 12,683 2,684 10,686 3,687 3,690 6,694 3,697 17,698 21,699 29,700 2,701 9,704 9,708 9,713 74,714 20,715 8,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 2,739 1,740 4,741 3,743 1,751 2,753 3,756 9,759 70,760 1,762 2,763 9,764 4,765 1,767 11,768 3,772 8.3,773 2,775 9,777 1,778 41.333,779 27.25,780 15.75,781 8.678,783 1.057,784 1.128,785 0.873,786 24.452,787 9.293,788 4.477,789 4.905,790 5.218,791 5.502,792 5.832,793 5.719,794 5.862,795 6.086,796 6.235,797 6.281,798 0.929,799 110,800 26.792,801 11.827,802 8.114,803 48.734,804 39.27,805 2.614,806 183,809 776.893,810 248.971,811 114.313,813 322.671,816 248.971,817 1099.56,818 114.313,819 80.627,820 136.695,821 180.129,822 271.133,823 17.371,825 776.893,827 776.893,828 363.284,829 322.671,831 553.242,832 460.955,833 85.367,835 189.646,836 173.638,839 776.893,840 436.984,841 248.971,844 776.893,845 73.582,846 184.762,847 72.043,848 355.568,849 776.893,850 436.984,851 248.971,852 0.583,853 0.333,854 0.166,855 0.091,856 34,857 25,858 0.185,859 27,861 1,862 6.449,863 819.578,865 17,866 417.05,870 59.4,871 28.816,872 18.339,874 436.984,875 17.829,879 1.433,880 190.307,881 1462.85,882 87,885 120.945,889 -6.114,891 144.901,892 164.201,893 0.217,894 0.487,895 0.728,896 0.853,897 0.887,898 0.9,899 5.746,900 2.525,901 6.671,902 7.947,903 5.293,904 5.595,905 4.181,906 7.474,907 5.255,908 6.912,909 2.434,910 8.244,911 7.29,912 5.017,913 5.394,914 3.735,915 8.404,916 4.964,917 8.192,918 2.377,919 9.917,920 6.879,921 6.891,922 7.482,923 5.336,924 11.487,925 6.804,926 9.495,927 2.194,928 11.647,929 6.85,930 7.385,931 7.998,932 5.529,933 13.211,934 7.274,935 10.827,936 2.156,937 13.413,938 6.073,939 8.774,940 9.637,941 6.683,942 15.843,943 8.631,944 12.176,945 2.103,946 15.204,947 5.838,948 9.601,949 10.448,950 7.167,951 17.906,952 9.426,953 13.54,954 1.982,955 17.013,956 5.527,957 10.815,958 11.923,959 8.141,960 20.377,961 10.606,962 3.215,963 1.928,964 18.837,965 5.145,966 11.797,967 12.875,968 8.786,969 22.599,970 11.552,971 3.145,972 11.19,973 20.672,974 5.054,975 12.945,976 14.276,977 9.686,978 25.009,979 12.666,980 2.969,981 10.682,982 22.515,983 3.54,984 14.001,985 15.306,986 10.427,987 27.31,988 13.683,989 2.904,990 9.85,991 24.367,992 3.467,993 15.129,994 16.665,995 11.301,996 29.699,997 14.776,998 2.824,999 9.211,1000 26.225,1001 3.418,1002 16.221,1003 17.747,1004 12.102,1005 32.04,1006 15.829,1007 2.736,1008 8.898,1009 28.088,1010 3.39,1011 17.346,1012 19.078,1013 12.972,1014 34.424,1015 16.917,1016 2.576,1017 8.658,1018 29.957,1019 3.266,1020 18.458,1021 20.197,1022 13.81,1023 36.787,1024 17.99,1025 108039,1026 181759,1027 44.101,1028 88.626,1029 108.713,1030 114.769,1031 113.677,1032 106.494,1033 106.42,1034 124.073,1035 42.564,1036 301.899,1037 104.566,1038 5.334,1039 6.01,1040 6.635,1041 5.239,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 57.509,1048 1.51,1049 1.594,1050 1.579,1051 1.479,1052 1.478,1053 1.723,1054 0.591,1055 4.193,1056 1.452,1057 4.033,1058 4.076,1059 3.952,1060 3.916,1061 7.45,1062 3.915,1063 3.937,1064 3.974,1065 3.863,1066 3.859,1067 7.434,1068 3.852,1069 3.872,1070 3.913,1071 3.796,1072 3.742,1073 7.431,1074 3.75,1075 3.864,1076 3.906,1077 3.783,1078 3.704,1079 7.43,1080 3.717,1081 3.84,1082 3.888,1083 3.756,1084 3.673,1085 7.427,1086 3.681,1087 3.755,1088 3.801,1089 3.666,1090 3.588,1091 7.426,1092 3.595,1093 3.721,1094 3.772,1095 3.631,1096 3.537,1097 7.424,1098 3.551,1099 3.672,1100 3.721,1101 3.555,1102 3.516,1103 7.422,1104 3.516,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.045,1110 4.336,1111 0.049,1112 4.01,1113 0.034,1114 6.833,1115 0.155,1116 4.179,1117 0.043,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.047,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.982,1145 1.262,1146 1.989,1147 1.716,1148 1.668,1149 1.921,1150 1.909,1151 1.215,1152 1.912,1153 1.699,1154 1.652,1155 1.877,1156 1.899,1157 1.211,1158 1.896,1159 1.646,1160 1.599,1161 1.858,1162 1.838,1163 1.051,1164 1.844,1165 1.618,1166 1.574,1167 1.846,1168 1.832,1169 1.037,1170 1.822,1171 4.977,1173 6.293,1174 2.398,1175 7.776,1176 4.595,1177 9.335,1178 6.605,1179 10.937,1180 13.7,1183 5.445,1184 21.495,1185 0.407,1186 10.626,1187 4.955,1189 -11.474,1190 3.752,1192 84.133,1193 223.757,1194 503.005,1195 751.397,1196 880.656,1197 915.675,1198 929.675,1199 589.256,1200 8.236,1201 287.18,1202 287.18,1203 17,1204 13.254,1205 4.459,1206 4,1207 220.448,1208 545,1209 495,1210 0.189,1211 526.606,1212 968.56,1213 1276.68,1214 47506,1216 52.404,1217 0.749,1218 0.598,1219 52.404,1220 41.884,1221 32.96,1222 0.458,1223 0.331,1224 23.438,1225 31.482,1226 22.633,1227 18.922,1228 32.96,1229 23.81,1230 30.19,1231 0.305,1232 0.19,1233 30.19,1234 18.8,1235 23.351,1236 0.193,1237 0.102,1238 23.351,1239 12.346,1240 17.452,1241 0.121,1242 0.058,1243 17.452,1244 8.324,1245 13.094,1246 0.079,1247 0.032,1248 13.094,1249 5.31,1250 0.305,1251 208.931,1252 0.151,1253 55.631,1254 0.501,1255 342,1256 1123.23,1257 385.944,1258 1051.45,1259 1350.34,1260 968,1261 391,1262 910.353,1263 434.484,1264 911.445,1265 1316.61,1266 851,1267 7.18} {0 CHEMBL2181016,1 1.554,2 21.3,3 2.01,4 4.04,5 257.802,6 6.801,7 0.167,8 5.02,9 5.153,10 4.462,11 4.455,12 6.125,13 4.43,14 5.6,15 5.798,16 4.829,17 4.853,18 6.673,19 4.798,20 5.939,21 6.155,22 4.989,23 5.061,24 7.076,25 4.989,26 6.104,27 6.334,28 5.085,29 5.131,30 7.261,31 5.076,32 6.162,33 6.378,34 5.211,35 5.219,36 7.48,37 5.169,38 6.266,39 6.491,40 5.259,41 5.349,42 7.456,43 5.273,44 6.392,45 6.628,46 5.272,47 5.414,48 7.573,49 5.325,50 6.411,51 6.659,52 5.264,53 5.42,54 7.586,55 5.317,56 0.172,57 2.006,58 32.996,59 12.981,60 41.949,61 18.314,62 1,63 3.115,64 62.25,65 20.838,66 133.257,67 31.042,68 1.801,69 3.918,70 90.164,71 27.492,72 257.623,73 40.852,74 2.006,75 4.285,76 108.55,77 29.144,78 360.503,79 44.666,80 3.07,81 4.658,82 115.623,83 30.973,84 530.028,85 47.097,86 2.492,87 5.211,88 126.082,89 37.707,90 400.274,91 56.065,92 2.853,93 5.567,94 144.727,95 41.737,96 543.923,97 62.48,98 3.238,99 5.665,100 147.816,101 42.716,102 570.639,103 64.705,104 493,105 99,106 0.212,107 0.476,108 0.712,109 0.834,110 0.867,111 0.881,112 4.264,113 0.992,114 -0.52,115 -0.65,116 -0.79,117 34.7,118 6,119 8,120 2,122 3,123 1,125 9,135 10,136 2,145 9,148 1,149 1,150 1,154 21,156 4,157 6,159 1,160 5,162 8,163 20,165 1,166 5,167 14,169 7,170 3,171 10,174 11,176 1,178 20,181 1,182 1,183 7,186 4,189 11,190 20,191 1,192 5,193 1,194 12,197 10,200 3,201 23,203 1,204 10,205 2,206 11,207 1,208 16,211 2,212 22,214 1,215 3,216 1,217 10,220 17,223 8,224 24,226 5,227 2,228 16,230 1,231 17,233 2,236 22,239 6,240 3,241 17,242 1,243 18,245 4,246 15366,247 44.854,248 44.854,249 44.854,250 44.854,251 44.854,252 42.153,253 47.534,254 26.318,255 45.427,256 35.254,257 35.254,258 35.254,259 35.254,260 35.254,261 30.754,262 45.189,263 12.314,264 35.945,265 5.616,266 3.677,267 1.952,268 1.054,269 0.811,270 0.714,271 4.932,276 3030,277 8.718,279 284.668,280 667.62,285 3.034,286 141.944,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 156,297 1491,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.267,308 3.946,309 6.714,310 4.117,311 3.145,312 3.467,313 2.033,314 10.682,315 3.051,316 4.108,317 3.858,318 6.47,319 3.94,320 2.969,321 3.418,322 2.028,323 9.85,324 2.879,325 4.031,326 3.755,327 6.244,328 3.879,329 2.904,330 3.39,331 1.99,332 9.211,333 2.826,334 3.981,335 3.74,336 6.112,337 3.806,338 2.824,339 3.266,340 1.976,341 8.898,342 2.764,343 3.915,344 3.642,345 6.051,346 3.715,347 2.736,348 3.133,349 1.938,350 8.658,351 2.675,352 3.882,353 3.625,354 5.894,355 3.574,356 2.576,357 3.108,358 1.926,359 7.947,360 2.565,361 3.77,362 3.54,363 5.706,364 3.522,365 2.525,366 2.94,367 1.889,368 7.29,369 2.504,370 3.711,371 3.511,372 5.379,373 3.431,374 2.434,375 2.882,376 1.886,377 6.879,378 2.421,379 3.665,380 2.976,381 5.316,382 3.374,383 2.377,384 2.81,385 0.713,386 6.85,387 2.362,388 3.533,389 2.802,390 5.217,391 3.221,392 2.194,393 2.695,394 0.635,395 6.073,396 2.237,397 3.411,398 2.586,399 5.191,400 3.155,401 2.156,402 2.497,403 0.553,404 5.838,405 2.139,406 3.196,407 2.559,408 4.97,409 3.093,410 2.103,411 2.225,412 0.359,413 5.527,414 2.081,415 3.169,416 2.547,417 4.702,418 2.971,419 1.982,420 2.195,421 0.315,422 5.145,423 1.952,424 3.111,425 2.361,426 4.658,427 2.913,428 1.928,429 2.148,430 0.263,431 5.054,432 1.868,433 32.2,434 0.46,435 2.212,436 0.032,437 69.25,438 0.989,439 25.5,440 0.364,441 43.75,442 0.625,443 110.74,444 1.582,445 83.6,446 0.581,447 91.84,448 1.312,449 13.575,450 0.194,451 19.385,452 0.277,453 0.266,455 0.379,459 0.751,460 1.565,461 0.904,462 1.333,463 0.641,464 1.167,465 0.645,466 1.281,467 0.877,468 1.149,469 0.559,470 1.067,471 0.946,472 1.105,473 1.04,474 1.11,475 0.988,476 1.093,477 1.316,478 1.095,479 1.037,480 0.974,481 1.329,482 0.944,483 1.19,484 1.018,485 1.067,486 0.942,487 1.175,488 0.964,489 1.029,490 1.06,491 1.037,492 1.075,493 1.051,494 1.056,495 1.191,496 1.045,497 1.06,498 1.021,499 1.221,500 1.016,501 0.999,502 1.005,503 1.011,504 1.003,505 1.015,506 1.01,507 16.5,508 1.004,509 9.111,510 5.556,511 5.032,512 3.483,513 2.62,514 1.969,515 1.549,516 1.159,517 108125,518 305392,519 1.878,520 51.4,521 13,522 30,525 8,526 4,527 19,529 1.93,530 1.694,531 4.312,532 3.934,535 223.757,536 1.554,537 3.493,538 5.218,539 6.116,540 6.359,541 6.456,542 3.713,543 5.64,544 6.105,545 4.558,546 11007.8,547 10.992,548 294128,552 1032.47,553 1.581,554 6.011,555 0.229,556 0.008,557 0.092,558 0.051,559 0.042,560 0.026,561 0.018,562 0.014,563 0.011,564 0.008,565 0.498,566 0.17,567 0.5,568 1.788,569 463.572,570 -0.066,571 -0.16,572 0.012,573 -0.048,574 -0.059,575 -0.008,576 0.124,577 -0.059,578 0.07,579 -0.023,580 0.063,581 0.004,582 0.034,583 0.016,584 -0.05,585 -0.068,586 -0.043,587 -0.079,588 -0.151,589 -0.062,590 -0.011,591 0.003,592 -0.125,593 0.025,594 0.032,595 0.056,596 -0.029,597 0.038,598 0.067,600 -0.003,601 0.013,602 -0.039,603 -0.05,604 -0.007,605 -0.052,606 -0.089,607 -0.047,608 -0.051,609 -0.022,610 -0.059,611 -0.027,612 0.027,613 -0.013,614 -0.012,615 -0.016,616 0.017,617 -0.022,618 2.902,619 7.181,620 0.243,621 119.087,622 1.006,623 1.14,624 -0.705,625 0.498,626 0.615,627 4.29,628 4.605,629 4.804,630 4.977,631 5.118,632 5.142,633 5.187,634 5.252,635 5.298,636 5.273,637 12.733,638 0.584,639 979.32,640 4.29,641 5.838,642 6.663,643 7.528,644 8.376,645 9.244,646 10.103,647 10.974,648 11.838,649 12.711,650 5.6,657 8,662 10,666 2,667 12,676 144,677 21,678 2,679 72,680 146,681 50,682 12,683 2,684 10,686 3,687 3,690 6,694 3,697 17,698 21,699 29,700 2,701 9,704 9,708 9,713 74,714 20,715 8,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 2,739 1,740 4,741 3,743 1,751 2,753 3,756 9,759 70,760 1,762 2,763 9,764 4,765 1,767 11,768 3,772 8.3,773 2,775 9,777 1,778 41.333,779 27.25,780 15.75,781 8.678,783 1.057,784 1.128,785 0.873,786 24.452,787 9.293,788 4.477,789 4.905,790 5.218,791 5.502,792 5.832,793 5.719,794 5.862,795 6.086,796 6.235,797 6.281,798 0.929,799 110,800 26.792,801 11.827,802 8.114,803 48.734,804 39.27,805 2.614,806 183,809 776.893,810 248.971,811 114.313,813 322.671,816 248.971,817 1099.56,818 114.313,819 80.627,820 136.695,821 180.129,822 271.133,823 17.371,825 776.893,827 776.893,828 363.284,829 322.671,831 553.242,832 460.955,833 85.367,835 189.646,836 173.638,839 776.893,840 436.984,841 248.971,844 776.893,845 73.582,846 184.762,847 72.043,848 355.568,849 776.893,850 436.984,851 248.971,852 0.583,853 0.333,854 0.166,855 0.091,856 34,857 25,858 0.185,859 27,861 1,862 6.449,863 819.578,865 17,866 417.05,870 59.4,871 28.816,872 18.339,874 436.984,875 17.829,879 1.433,880 190.307,881 1462.85,882 87,885 120.945,889 -6.114,891 144.901,892 164.201,893 0.217,894 0.487,895 0.728,896 0.853,897 0.887,898 0.9,899 5.746,900 2.525,901 6.671,902 7.947,903 5.293,904 5.595,905 4.181,906 7.474,907 5.255,908 6.912,909 2.434,910 8.244,911 7.29,912 5.017,913 5.394,914 3.735,915 8.404,916 4.964,917 8.192,918 2.377,919 9.917,920 6.879,921 6.891,922 7.482,923 5.336,924 11.487,925 6.804,926 9.495,927 2.194,928 11.647,929 6.85,930 7.385,931 7.998,932 5.529,933 13.211,934 7.274,935 10.827,936 2.156,937 13.413,938 6.073,939 8.774,940 9.637,941 6.683,942 15.843,943 8.631,944 12.176,945 2.103,946 15.204,947 5.838,948 9.601,949 10.448,950 7.167,951 17.906,952 9.426,953 13.54,954 1.982,955 17.013,956 5.527,957 10.815,958 11.923,959 8.141,960 20.377,961 10.606,962 3.215,963 1.928,964 18.837,965 5.145,966 11.797,967 12.875,968 8.786,969 22.599,970 11.552,971 3.145,972 11.19,973 20.672,974 5.054,975 12.945,976 14.276,977 9.686,978 25.009,979 12.666,980 2.969,981 10.682,982 22.515,983 3.54,984 14.001,985 15.306,986 10.427,987 27.31,988 13.683,989 2.904,990 9.85,991 24.367,992 3.467,993 15.129,994 16.665,995 11.301,996 29.699,997 14.776,998 2.824,999 9.211,1000 26.225,1001 3.418,1002 16.221,1003 17.747,1004 12.102,1005 32.04,1006 15.829,1007 2.736,1008 8.898,1009 28.088,1010 3.39,1011 17.346,1012 19.078,1013 12.972,1014 34.424,1015 16.917,1016 2.576,1017 8.658,1018 29.957,1019 3.266,1020 18.458,1021 20.197,1022 13.81,1023 36.787,1024 17.99,1025 108039,1026 181759,1027 44.101,1028 88.626,1029 108.713,1030 114.769,1031 113.677,1032 106.494,1033 106.42,1034 124.073,1035 42.564,1036 301.899,1037 104.566,1038 5.334,1039 6.01,1040 6.635,1041 5.239,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 57.509,1048 1.51,1049 1.594,1050 1.579,1051 1.479,1052 1.478,1053 1.723,1054 0.591,1055 4.193,1056 1.452,1057 4.033,1058 4.076,1059 3.952,1060 3.916,1061 7.45,1062 3.915,1063 3.937,1064 3.974,1065 3.863,1066 3.859,1067 7.434,1068 3.852,1069 3.872,1070 3.913,1071 3.796,1072 3.742,1073 7.431,1074 3.75,1075 3.864,1076 3.906,1077 3.783,1078 3.704,1079 7.43,1080 3.717,1081 3.84,1082 3.888,1083 3.756,1084 3.673,1085 7.427,1086 3.681,1087 3.755,1088 3.801,1089 3.666,1090 3.588,1091 7.426,1092 3.595,1093 3.721,1094 3.772,1095 3.631,1096 3.537,1097 7.424,1098 3.551,1099 3.672,1100 3.721,1101 3.555,1102 3.516,1103 7.422,1104 3.516,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.045,1110 4.336,1111 0.049,1112 4.01,1113 0.034,1114 6.833,1115 0.155,1116 4.179,1117 0.043,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.047,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.982,1145 1.262,1146 1.989,1147 1.716,1148 1.668,1149 1.921,1150 1.909,1151 1.215,1152 1.912,1153 1.699,1154 1.652,1155 1.877,1156 1.899,1157 1.211,1158 1.896,1159 1.646,1160 1.599,1161 1.858,1162 1.838,1163 1.051,1164 1.844,1165 1.618,1166 1.574,1167 1.846,1168 1.832,1169 1.037,1170 1.822,1171 4.977,1173 6.293,1174 2.398,1175 7.776,1176 4.595,1177 9.335,1178 6.605,1179 10.937,1180 13.7,1183 5.445,1184 21.495,1185 0.407,1186 10.626,1187 4.955,1189 -11.474,1190 3.752,1192 84.133,1193 223.757,1194 503.005,1195 751.397,1196 880.656,1197 915.675,1198 929.675,1199 589.256,1200 8.236,1201 287.18,1202 287.18,1203 17,1204 13.254,1205 4.459,1206 4,1207 220.448,1208 545,1209 495,1210 0.189,1211 526.606,1212 968.56,1213 1276.68,1214 47506,1216 52.404,1217 0.749,1218 0.598,1219 52.404,1220 41.884,1221 32.96,1222 0.458,1223 0.331,1224 23.438,1225 31.482,1226 22.633,1227 18.922,1228 32.96,1229 23.81,1230 30.19,1231 0.305,1232 0.19,1233 30.19,1234 18.8,1235 23.351,1236 0.193,1237 0.102,1238 23.351,1239 12.346,1240 17.452,1241 0.121,1242 0.058,1243 17.452,1244 8.324,1245 13.094,1246 0.079,1247 0.032,1248 13.094,1249 5.31,1250 0.305,1251 208.931,1252 0.151,1253 55.631,1254 0.501,1255 342,1256 1123.23,1257 385.944,1258 1051.45,1259 1350.34,1260 968,1261 391,1262 910.353,1263 434.484,1264 911.445,1265 1316.61,1266 851,1267 5.767} {0 CHEMBL2181017,1 1.554,2 21.3,3 2.01,4 4.04,5 257.802,6 6.801,7 0.167,8 5.02,9 5.153,10 4.462,11 4.455,12 6.125,13 4.43,14 5.6,15 5.798,16 4.829,17 4.853,18 6.673,19 4.798,20 5.939,21 6.155,22 4.989,23 5.061,24 7.076,25 4.989,26 6.104,27 6.334,28 5.085,29 5.131,30 7.261,31 5.076,32 6.162,33 6.378,34 5.211,35 5.219,36 7.48,37 5.169,38 6.266,39 6.491,40 5.259,41 5.349,42 7.456,43 5.273,44 6.392,45 6.628,46 5.272,47 5.414,48 7.573,49 5.325,50 6.411,51 6.659,52 5.264,53 5.42,54 7.586,55 5.317,56 0.172,57 2.006,58 32.996,59 12.981,60 41.949,61 18.314,62 1,63 3.115,64 62.25,65 20.838,66 133.257,67 31.042,68 1.801,69 3.918,70 90.164,71 27.492,72 257.623,73 40.852,74 2.006,75 4.285,76 108.55,77 29.144,78 360.503,79 44.666,80 3.07,81 4.658,82 115.623,83 30.973,84 530.028,85 47.097,86 2.492,87 5.211,88 126.082,89 37.707,90 400.274,91 56.065,92 2.853,93 5.567,94 144.727,95 41.737,96 543.923,97 62.48,98 3.238,99 5.665,100 147.816,101 42.716,102 570.639,103 64.705,104 493,105 99,106 0.212,107 0.476,108 0.712,109 0.834,110 0.867,111 0.881,112 4.264,113 0.992,114 -0.52,115 -0.65,116 -0.79,117 34.7,118 6,119 8,120 2,122 3,123 1,125 9,135 10,136 2,145 9,148 1,149 1,150 1,154 21,156 4,157 6,159 1,160 5,162 8,163 20,165 1,166 5,167 14,169 7,170 3,171 10,174 11,176 1,178 20,181 1,182 1,183 7,186 4,189 11,190 20,191 1,192 5,193 1,194 12,197 10,200 3,201 23,203 1,204 10,205 2,206 11,207 1,208 16,211 2,212 22,214 1,215 3,216 1,217 10,220 17,223 8,224 24,226 5,227 2,228 16,230 1,231 17,233 2,236 22,239 6,240 3,241 17,242 1,243 18,245 4,246 15366,247 44.854,248 44.854,249 44.854,250 44.854,251 44.854,252 42.153,253 47.534,254 26.318,255 45.427,256 35.254,257 35.254,258 35.254,259 35.254,260 35.254,261 30.754,262 45.189,263 12.314,264 35.945,265 5.616,266 3.677,267 1.952,268 1.054,269 0.811,270 0.714,271 4.932,276 3030,277 8.718,279 284.668,280 667.62,285 3.034,286 141.944,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 156,297 1491,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.267,308 3.946,309 6.714,310 4.117,311 3.145,312 3.467,313 2.033,314 10.682,315 3.051,316 4.108,317 3.858,318 6.47,319 3.94,320 2.969,321 3.418,322 2.028,323 9.85,324 2.879,325 4.031,326 3.755,327 6.244,328 3.879,329 2.904,330 3.39,331 1.99,332 9.211,333 2.826,334 3.981,335 3.74,336 6.112,337 3.806,338 2.824,339 3.266,340 1.976,341 8.898,342 2.764,343 3.915,344 3.642,345 6.051,346 3.715,347 2.736,348 3.133,349 1.938,350 8.658,351 2.675,352 3.882,353 3.625,354 5.894,355 3.574,356 2.576,357 3.108,358 1.926,359 7.947,360 2.565,361 3.77,362 3.54,363 5.706,364 3.522,365 2.525,366 2.94,367 1.889,368 7.29,369 2.504,370 3.711,371 3.511,372 5.379,373 3.431,374 2.434,375 2.882,376 1.886,377 6.879,378 2.421,379 3.665,380 2.976,381 5.316,382 3.374,383 2.377,384 2.81,385 0.713,386 6.85,387 2.362,388 3.533,389 2.802,390 5.217,391 3.221,392 2.194,393 2.695,394 0.635,395 6.073,396 2.237,397 3.411,398 2.586,399 5.191,400 3.155,401 2.156,402 2.497,403 0.553,404 5.838,405 2.139,406 3.196,407 2.559,408 4.97,409 3.093,410 2.103,411 2.225,412 0.359,413 5.527,414 2.081,415 3.169,416 2.547,417 4.702,418 2.971,419 1.982,420 2.195,421 0.315,422 5.145,423 1.952,424 3.111,425 2.361,426 4.658,427 2.913,428 1.928,429 2.148,430 0.263,431 5.054,432 1.868,433 32.2,434 0.46,435 2.212,436 0.032,437 69.25,438 0.989,439 25.5,440 0.364,441 43.75,442 0.625,443 110.74,444 1.582,445 83.6,446 0.581,447 91.84,448 1.312,449 13.575,450 0.194,451 19.385,452 0.277,453 0.266,455 0.379,459 0.751,460 1.565,461 0.904,462 1.333,463 0.641,464 1.167,465 0.645,466 1.281,467 0.877,468 1.149,469 0.559,470 1.067,471 0.946,472 1.105,473 1.04,474 1.11,475 0.988,476 1.093,477 1.316,478 1.095,479 1.037,480 0.974,481 1.329,482 0.944,483 1.19,484 1.018,485 1.067,486 0.942,487 1.175,488 0.964,489 1.029,490 1.06,491 1.037,492 1.075,493 1.051,494 1.056,495 1.191,496 1.045,497 1.06,498 1.021,499 1.221,500 1.016,501 0.999,502 1.005,503 1.011,504 1.003,505 1.015,506 1.01,507 16.5,508 1.004,509 9.111,510 5.556,511 5.032,512 3.483,513 2.62,514 1.969,515 1.549,516 1.159,517 108125,518 305392,519 1.878,520 51.4,521 13,522 30,525 8,526 4,527 19,529 1.93,530 1.694,531 4.312,532 3.934,535 223.757,536 1.554,537 3.493,538 5.218,539 6.116,540 6.359,541 6.456,542 3.713,543 5.64,544 6.105,545 4.558,546 11007.8,547 10.992,548 294128,552 1032.47,553 1.581,554 6.011,555 0.229,556 0.008,557 0.092,558 0.051,559 0.042,560 0.026,561 0.018,562 0.014,563 0.011,564 0.008,565 0.498,566 0.17,567 0.5,568 1.788,569 463.572,570 -0.066,571 -0.16,572 0.012,573 -0.048,574 -0.059,575 -0.008,576 0.124,577 -0.059,578 0.07,579 -0.023,580 0.063,581 0.004,582 0.034,583 0.016,584 -0.05,585 -0.068,586 -0.043,587 -0.079,588 -0.151,589 -0.062,590 -0.011,591 0.003,592 -0.125,593 0.025,594 0.032,595 0.056,596 -0.029,597 0.038,598 0.067,600 -0.003,601 0.013,602 -0.039,603 -0.05,604 -0.007,605 -0.052,606 -0.089,607 -0.047,608 -0.051,609 -0.022,610 -0.059,611 -0.027,612 0.027,613 -0.013,614 -0.012,615 -0.016,616 0.017,617 -0.022,618 2.902,619 7.181,620 0.243,621 119.087,622 1.006,623 1.14,624 -0.705,625 0.498,626 0.615,627 4.29,628 4.605,629 4.804,630 4.977,631 5.118,632 5.142,633 5.187,634 5.252,635 5.298,636 5.273,637 12.733,638 0.584,639 979.32,640 4.29,641 5.838,642 6.663,643 7.528,644 8.376,645 9.244,646 10.103,647 10.974,648 11.838,649 12.711,650 5.6,657 8,662 10,666 2,667 12,676 144,677 21,678 2,679 72,680 146,681 50,682 12,683 2,684 10,686 3,687 3,690 6,694 3,697 17,698 21,699 29,700 2,701 9,704 9,708 9,713 74,714 20,715 8,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 2,739 1,740 4,741 3,743 1,751 2,753 3,756 9,759 70,760 1,762 2,763 9,764 4,765 1,767 11,768 3,772 8.3,773 2,775 9,777 1,778 41.333,779 27.25,780 15.75,781 8.678,783 1.057,784 1.128,785 0.873,786 24.452,787 9.293,788 4.477,789 4.905,790 5.218,791 5.502,792 5.832,793 5.719,794 5.862,795 6.086,796 6.235,797 6.281,798 0.929,799 110,800 26.792,801 11.827,802 8.114,803 48.734,804 39.27,805 2.614,806 183,809 776.893,810 248.971,811 114.313,813 322.671,816 248.971,817 1099.56,818 114.313,819 80.627,820 136.695,821 180.129,822 271.133,823 17.371,825 776.893,827 776.893,828 363.284,829 322.671,831 553.242,832 460.955,833 85.367,835 189.646,836 173.638,839 776.893,840 436.984,841 248.971,844 776.893,845 73.582,846 184.762,847 72.043,848 355.568,849 776.893,850 436.984,851 248.971,852 0.583,853 0.333,854 0.166,855 0.091,856 34,857 25,858 0.185,859 27,861 1,862 6.449,863 819.578,865 17,866 417.05,870 59.4,871 28.816,872 18.339,874 436.984,875 17.829,879 1.433,880 190.307,881 1462.85,882 87,885 120.945,889 -6.114,891 144.901,892 164.201,893 0.217,894 0.487,895 0.728,896 0.853,897 0.887,898 0.9,899 5.746,900 2.525,901 6.671,902 7.947,903 5.293,904 5.595,905 4.181,906 7.474,907 5.255,908 6.912,909 2.434,910 8.244,911 7.29,912 5.017,913 5.394,914 3.735,915 8.404,916 4.964,917 8.192,918 2.377,919 9.917,920 6.879,921 6.891,922 7.482,923 5.336,924 11.487,925 6.804,926 9.495,927 2.194,928 11.647,929 6.85,930 7.385,931 7.998,932 5.529,933 13.211,934 7.274,935 10.827,936 2.156,937 13.413,938 6.073,939 8.774,940 9.637,941 6.683,942 15.843,943 8.631,944 12.176,945 2.103,946 15.204,947 5.838,948 9.601,949 10.448,950 7.167,951 17.906,952 9.426,953 13.54,954 1.982,955 17.013,956 5.527,957 10.815,958 11.923,959 8.141,960 20.377,961 10.606,962 3.215,963 1.928,964 18.837,965 5.145,966 11.797,967 12.875,968 8.786,969 22.599,970 11.552,971 3.145,972 11.19,973 20.672,974 5.054,975 12.945,976 14.276,977 9.686,978 25.009,979 12.666,980 2.969,981 10.682,982 22.515,983 3.54,984 14.001,985 15.306,986 10.427,987 27.31,988 13.683,989 2.904,990 9.85,991 24.367,992 3.467,993 15.129,994 16.665,995 11.301,996 29.699,997 14.776,998 2.824,999 9.211,1000 26.225,1001 3.418,1002 16.221,1003 17.747,1004 12.102,1005 32.04,1006 15.829,1007 2.736,1008 8.898,1009 28.088,1010 3.39,1011 17.346,1012 19.078,1013 12.972,1014 34.424,1015 16.917,1016 2.576,1017 8.658,1018 29.957,1019 3.266,1020 18.458,1021 20.197,1022 13.81,1023 36.787,1024 17.99,1025 108039,1026 181759,1027 44.101,1028 88.626,1029 108.713,1030 114.769,1031 113.677,1032 106.494,1033 106.42,1034 124.073,1035 42.564,1036 301.899,1037 104.566,1038 5.334,1039 6.01,1040 6.635,1041 5.239,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 57.509,1048 1.51,1049 1.594,1050 1.579,1051 1.479,1052 1.478,1053 1.723,1054 0.591,1055 4.193,1056 1.452,1057 4.033,1058 4.076,1059 3.952,1060 3.916,1061 7.45,1062 3.915,1063 3.937,1064 3.974,1065 3.863,1066 3.859,1067 7.434,1068 3.852,1069 3.872,1070 3.913,1071 3.796,1072 3.742,1073 7.431,1074 3.75,1075 3.864,1076 3.906,1077 3.783,1078 3.704,1079 7.43,1080 3.717,1081 3.84,1082 3.888,1083 3.756,1084 3.673,1085 7.427,1086 3.681,1087 3.755,1088 3.801,1089 3.666,1090 3.588,1091 7.426,1092 3.595,1093 3.721,1094 3.772,1095 3.631,1096 3.537,1097 7.424,1098 3.551,1099 3.672,1100 3.721,1101 3.555,1102 3.516,1103 7.422,1104 3.516,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.045,1110 4.336,1111 0.049,1112 4.01,1113 0.034,1114 6.833,1115 0.155,1116 4.179,1117 0.043,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.047,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.982,1145 1.262,1146 1.989,1147 1.716,1148 1.668,1149 1.921,1150 1.909,1151 1.215,1152 1.912,1153 1.699,1154 1.652,1155 1.877,1156 1.899,1157 1.211,1158 1.896,1159 1.646,1160 1.599,1161 1.858,1162 1.838,1163 1.051,1164 1.844,1165 1.618,1166 1.574,1167 1.846,1168 1.832,1169 1.037,1170 1.822,1171 4.977,1173 6.293,1174 2.398,1175 7.776,1176 4.595,1177 9.335,1178 6.605,1179 10.937,1180 13.7,1183 5.445,1184 21.495,1185 0.407,1186 10.626,1187 4.955,1189 -11.474,1190 3.752,1192 84.133,1193 223.757,1194 503.005,1195 751.397,1196 880.656,1197 915.675,1198 929.675,1199 589.256,1200 8.236,1201 287.18,1202 287.18,1203 17,1204 13.254,1205 4.459,1206 4,1207 220.448,1208 545,1209 495,1210 0.189,1211 526.606,1212 968.56,1213 1276.68,1214 47506,1216 52.404,1217 0.749,1218 0.598,1219 52.404,1220 41.884,1221 32.96,1222 0.458,1223 0.331,1224 23.438,1225 31.482,1226 22.633,1227 18.922,1228 32.96,1229 23.81,1230 30.19,1231 0.305,1232 0.19,1233 30.19,1234 18.8,1235 23.351,1236 0.193,1237 0.102,1238 23.351,1239 12.346,1240 17.452,1241 0.121,1242 0.058,1243 17.452,1244 8.324,1245 13.094,1246 0.079,1247 0.032,1248 13.094,1249 5.31,1250 0.305,1251 208.931,1252 0.151,1253 55.631,1254 0.501,1255 342,1256 1123.23,1257 385.944,1258 1051.45,1259 1350.34,1260 968,1261 391,1262 910.353,1263 434.484,1264 911.445,1265 1316.61,1266 851,1267 5.839} {0 CHEMBL2181018,1 1.561,2 20.21,3 1.79,4 3.204,5 227.972,6 6.836,7 0.19,8 4.891,9 5.024,10 4.328,11 4.326,12 6.028,13 4.301,14 5.452,15 5.648,16 4.691,17 4.715,18 6.58,19 4.658,20 5.804,21 6.018,22 4.848,23 4.924,24 6.969,25 4.852,26 5.977,27 6.214,28 4.929,29 4.998,30 7.135,31 4.934,32 6.025,33 6.244,34 5.069,35 5.066,36 7.376,37 5.016,38 6.113,39 6.336,40 5.098,41 5.162,42 7.366,43 5.094,44 6.21,45 6.444,46 5.071,47 5.206,48 7.434,49 5.12,50 6.216,51 6.468,52 5.056,53 5.202,54 7.41,55 5.099,56 0.195,57 1.755,58 28.895,59 11.397,60 45.276,61 15.977,62 0.841,63 2.697,64 53.256,65 18.285,66 137.811,67 27.065,68 1.651,69 3.409,70 78.789,71 23.956,72 252.595,73 35.532,74 1.829,75 3.749,76 95.621,77 25.718,78 335.968,79 39.616,80 2.656,81 3.984,82 100.773,83 27.179,84 490.266,85 41.162,86 2.364,87 4.326,88 109.077,89 31.378,90 402.081,91 46.593,92 2.641,93 4.539,94 121.385,95 33.966,96 518.268,97 50.911,98 2.778,99 4.579,100 122.174,101 34.568,102 516.121,103 52.729,104 445,105 86,106 0.218,107 0.493,108 0.705,109 0.825,110 0.861,111 0.876,112 4.145,113 0.987,114 -0.98,115 -1.08,116 -1.18,117 34.6,118 6,119 6,120 2,122 2,125 8,135 10,136 2,145 8,148 1,149 1,150 1,151 1,153 1,154 20,156 2,157 4,158 1,159 1,160 6,162 8,163 20,164 1,165 1,166 2,167 11,169 8,170 3,171 11,174 11,175 1,176 1,178 15,179 1,181 1,182 1,183 8,186 4,187 2,189 8,190 16,191 1,192 6,193 1,194 14,195 1,197 8,198 3,200 1,201 18,203 1,204 9,205 3,206 14,207 1,208 14,209 1,211 2,212 17,213 1,214 1,215 3,216 1,217 11,220 13,223 5,224 20,226 6,227 2,228 14,229 1,230 1,231 11,232 1,233 2,236 15,239 3,240 4,241 18,242 1,243 16,244 1,245 4,246 11744,247 39.208,248 39.208,249 39.208,250 39.208,251 39.208,252 36.56,253 40.009,254 23.112,255 39.55,256 30.905,257 30.905,258 30.905,259 30.905,260 30.905,261 26.654,262 37.971,263 10.906,264 31.371,265 5.428,266 3.461,267 1.947,268 1.089,269 0.835,270 0.725,271 4.806,276 2511,277 8.426,280 597.793,285 2.862,286 127.728,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 138.5,297 1253,298 4.267,299 3.946,300 6.714,301 4.117,302 3.145,303 3.496,304 2.378,305 10.682,306 3.051,307 4.229,308 3.937,309 6.62,310 4.06,311 3.092,312 3.467,313 2.033,314 10.317,315 2.985,316 4.042,317 3.773,318 6.244,319 3.888,320 2.911,321 3.418,322 2.004,323 9.211,324 2.84,325 3.999,326 3.741,327 6.114,328 3.826,329 2.842,330 3.331,331 1.99,332 8.906,333 2.79,334 3.916,335 3.642,336 6.051,337 3.717,338 2.738,339 3.157,340 1.951,341 8.659,342 2.677,343 3.883,344 3.625,345 5.847,346 3.584,347 2.586,348 3.113,349 1.926,350 7.843,351 2.574,352 3.771,353 3.538,354 5.706,355 3.522,356 2.525,357 2.942,358 1.889,359 7.29,360 2.504,361 3.71,362 3.51,363 5.316,364 3.431,365 2.434,366 2.878,367 1.886,368 6.854,369 2.421,370 3.648,371 2.976,372 5.288,373 3.353,374 2.359,375 2.796,376 0.636,377 6.687,378 2.338,379 3.533,380 2.75,381 5.214,382 3.221,383 2.194,384 2.694,385 0.635,386 6.001,387 2.237,388 3.409,389 2.586,390 4.985,391 3.154,392 2.154,393 2.495,394 0.359,395 5.554,396 2.139,397 3.175,398 2.547,399 4.773,400 3.07,401 2.064,402 2.197,403 0.316,404 5.178,405 2.068,406 3.159,407 2.376,408 4.658,409 2.964,410 1.962,411 2.17,412 0.155,413 5.141,414 1.951,415 2.929,416 2.316,417 4.569,418 2.627,419 1.664,420 2.078,421 0.107,422 4.356,423 1.586,424 2.887,425 2.284,426 4.313,427 2.483,428 1.489,429 2.03,430 0.047,431 3.702,432 1.478,433 28.467,434 0.459,435 2.058,436 0.033,437 62,438 1,439 24,440 0.387,441 38,442 0.613,443 92.672,444 1.495,445 74.133,446 0.584,447 79.092,448 1.276,449 12.278,450 0.198,451 16.75,452 0.27,453 0.283,455 0.379,459 0.778,460 1.509,461 0.917,462 1.292,463 0.688,464 1.147,465 0.576,466 1.307,467 0.86,468 1.19,469 0.538,470 1.094,471 0.959,472 1.12,473 1.061,474 1.119,475 0.992,476 1.111,477 1.23,478 1.063,479 1.025,480 0.962,481 1.199,482 0.942,483 1.133,484 1.024,485 1.027,486 0.966,487 1.118,488 0.964,489 1.133,490 1.045,491 1.056,492 1.056,493 1.13,494 1.04,495 1.247,496 1.039,497 1.096,498 1.015,499 1.244,500 1.025,501 0.979,502 0.984,503 0.982,504 0.976,505 0.994,506 0.981,507 15.5,508 0.905,509 7.778,510 5,511 4.382,512 3.014,513 2.185,514 1.63,515 1.288,516 1.012,517 76331,518 224499,519 1.847,520 51.2,521 13,522 24,525 9,526 4,527 15,529 1.904,530 1.661,531 4.244,532 4.859,535 198.189,536 1.561,537 3.528,538 5.041,539 5.9,540 6.154,541 6.264,542 3.694,543 5.523,544 5.927,545 4.459,546 8432.14,547 10.642,548 206660,552 887.563,553 1.583,554 5.83,555 0.246,556 0.008,557 0.09,558 0.053,559 0.043,560 0.026,561 0.018,562 0.014,563 0.011,564 0.009,565 0.518,566 0.17,567 0.5,568 1.863,569 398.109,570 -0.086,571 -0.107,572 -0.006,573 -0.009,574 -0.079,575 0.007,576 0.146,577 -0.076,578 0.074,579 -0.048,580 0.09,581 -0.012,582 0.021,583 -0.001,584 -0.074,585 -0.075,586 -0.058,587 -0.097,588 -0.134,589 -0.037,590 -0.01,591 0.01,592 -0.104,593 0.029,594 0.054,595 0.033,596 0.003,597 0.014,598 0.077,599 0.002,600 -0.025,601 0.003,602 -0.045,603 -0.051,604 -0.022,605 -0.052,606 -0.102,607 -0.053,608 -0.078,609 -0.031,610 -0.07,611 -0.047,612 0.036,613 -0.01,614 0.016,615 -0.003,616 0.02,618 2.895,619 7.068,620 0.194,621 101.53,622 1.007,623 1.14,624 -0.248,625 0.062,626 0.615,627 4.159,628 4.466,629 4.625,630 4.771,631 4.913,632 4.89,633 4.905,634 4.949,635 4.984,636 4.934,637 11.791,638 0.585,639 868.16,640 4.159,641 5.7,642 6.512,643 7.368,644 8.203,645 9.061,646 9.906,647 10.766,648 11.616,649 12.476,650 5.5,657 7,662 10,666 2,667 12,676 127,677 20,678 2,679 63,680 128,681 44,682 12,683 2,684 10,686 2,687 2,690 6,697 14,698 20,699 24,700 2,701 8,704 8,708 8,713 65,714 18,715 9,716 18,719 7,721 1,722 11,724 2,732 2,739 1,740 4,741 2,742 1,751 3,753 2,756 8,759 62,760 1,762 3,763 6,764 4,767 10,768 2,772 8.7,773 2,774 1,775 8,778 37.333,779 23.833,780 13.917,781 7.511,783 1.172,784 1.149,785 0.86,786 22.617,787 9.024,788 4.357,789 4.787,790 5.072,791 5.358,792 5.707,793 5.544,794 5.675,795 5.868,796 5.987,797 5.954,798 1,799 95,800 23.692,801 10.424,802 8.194,803 42.726,804 34.053,805 2.694,806 167,809 659.182,810 219.927,811 111.189,813 329.209,816 219.927,817 988.391,818 111.189,819 69.744,820 126.396,821 180.129,822 277.685,823 6.371,825 659.182,827 659.182,828 331.116,829 329.209,831 482.615,832 420.409,833 85.367,835 179.347,836 151.769,839 659.182,840 440.398,841 219.927,844 659.182,845 55.421,846 170.755,847 72.043,848 362.107,849 659.182,850 440.398,851 219.927,852 0.583,853 0.324,854 0.159,855 0.089,856 28,857 22,858 0.195,859 25,861 1,862 5.984,863 676.862,865 12,866 353.16,870 53.59,871 26.166,872 18,874 440.398,875 17.517,879 1.371,880 232.99,881 1319.51,882 77,885 104.754,889 -6.408,891 127.937,892 144.832,893 0.223,894 0.505,895 0.721,896 0.844,897 0.881,898 0.896,899 5.617,900 2.434,901 6.521,902 7.29,903 5.153,904 5.476,905 4.039,906 7.305,907 5.122,908 6.787,909 2.359,910 8.085,911 6.854,912 4.89,913 5.278,914 3.627,915 8.202,916 4.843,917 8.064,918 2.194,919 9.748,920 6.687,921 6.735,922 7.366,923 5.18,924 11.261,925 6.661,926 9.362,927 2.154,928 11.467,929 6.001,930 7.216,931 7.857,932 5.383,933 12.936,934 7.119,935 10.687,936 2.064,937 13.22,938 5.554,939 8.594,940 9.517,941 6.5,942 15.547,943 8.47,944 12.029,945 1.962,946 14.997,947 5.178,948 9.401,949 10.295,950 6.977,951 17.559,952 9.246,953 13.384,954 1.664,955 16.793,956 5.141,957 10.605,958 11.795,959 7.916,960 20.004,961 10.421,962 3.145,963 1.489,964 18.602,965 4.356,966 11.565,967 12.714,968 8.541,969 22.177,970 11.348,971 3.092,972 10.682,973 20.423,974 3.702,975 12.702,976 14.137,977 9.401,978 24.556,979 12.454,980 2.911,981 10.317,982 22.252,983 3.496,984 13.737,985 15.138,986 10.111,987 26.81,988 13.454,989 2.842,990 9.211,991 24.089,992 3.467,993 14.851,994 16.517,995 10.942,996 29.164,997 14.536,998 2.738,999 8.906,1000 25.933,1001 3.418,1002 15.925,1003 17.572,1004 11.704,1005 31.46,1006 15.574,1007 2.586,1008 8.659,1009 27.781,1010 3.331,1011 17.033,1012 18.919,1013 12.527,1014 33.806,1015 16.649,1016 2.525,1017 7.843,1018 29.635,1019 3.157,1020 18.127,1021 20.015,1022 13.322,1023 36.125,1024 17.707,1025 77386,1026 132906,1027 38.032,1028 78.12,1029 95.131,1030 99.802,1031 98.847,1032 93.164,1033 93.023,1034 109.732,1035 36.619,1036 260.737,1037 91.702,1038 5.259,1039 5.946,1040 6.516,1041 5.169,1042 5.145,1043 6.496,1044 3.993,1045 18.153,1046 5.051,1047 51.932,1048 1.51,1049 1.584,1050 1.569,1051 1.479,1052 1.477,1053 1.742,1054 0.581,1055 4.139,1056 1.456,1057 4.009,1058 4.051,1059 3.928,1060 3.905,1061 7.475,1062 3.902,1063 3.926,1064 3.96,1065 3.852,1066 3.857,1067 7.444,1068 3.85,1069 3.872,1070 3.913,1071 3.796,1072 3.727,1073 7.433,1074 3.737,1075 3.842,1076 3.889,1077 3.761,1078 3.675,1079 7.43,1080 3.685,1081 3.758,1082 3.803,1083 3.673,1084 3.589,1085 7.427,1086 3.597,1087 3.736,1088 3.784,1089 3.647,1090 3.554,1091 7.426,1092 3.57,1093 3.673,1094 3.721,1095 3.56,1096 3.516,1097 7.422,1098 3.517,1099 3.596,1100 3.64,1101 3.485,1102 3.402,1103 7.422,1104 3.412,1105 0.068,1106 0.063,1107 0.107,1108 0.065,1109 0.05,1110 4.267,1111 0.055,1112 3.946,1113 0.038,1114 6.714,1115 0.17,1116 4.117,1117 0.048,1118 3.145,1119 3.496,1120 2.378,1121 10.682,1122 3.051,1123 1.931,1124 1.9,1125 2.065,1126 2.046,1127 1.326,1128 2.049,1129 1.926,1130 1.897,1131 2.057,1132 2.031,1133 1.306,1134 2.037,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.981,1145 1.249,1146 1.989,1147 1.716,1148 1.667,1149 1.921,1150 1.908,1151 1.211,1152 1.912,1153 1.682,1154 1.633,1155 1.873,1156 1.889,1157 1.051,1158 1.888,1159 1.646,1160 1.599,1161 1.846,1162 1.837,1163 1.033,1164 1.844,1165 1.549,1166 1.503,1167 1.8,1168 1.78,1169 0.928,1170 1.787,1171 4.844,1173 6.155,1175 7.627,1177 9.173,1179 10.76,1180 12.245,1183 5.413,1184 31.233,1185 -0.935,1186 10.448,1189 -10.756,1190 2.117,1192 74.29,1193 198.189,1194 448.005,1195 640.249,1196 749.259,1197 781.524,1198 795.524,1199 603.962,1200 7.851,1201 277.87,1202 277.87,1203 12,1204 13.028,1205 4.392,1206 3.907,1207 231.813,1208 437,1209 482,1210 0.245,1211 468.582,1212 859.97,1213 1135.1,1214 28822,1216 46.844,1217 0.756,1218 0.595,1219 46.844,1220 36.869,1221 29.028,1222 0.461,1223 0.329,1224 20.417,1225 27.785,1226 19.69,1227 16.506,1228 29.028,1229 20.722,1230 26.931,1231 0.313,1232 0.191,1233 26.931,1234 16.425,1235 19.857,1236 0.197,1237 0.102,1238 19.857,1239 10.337,1240 14.641,1241 0.125,1242 0.057,1243 14.641,1244 6.721,1245 11.049,1246 0.082,1247 0.032,1248 11.049,1249 4.327,1250 0.394,1251 183.687,1252 0.162,1253 50.824,1254 0.652,1255 298,1256 994.267,1257 336.207,1258 936.436,1259 1192.56,1260 858,1261 336,1262 797.033,1263 372.416,1264 799.155,1265 1147.16,1266 746,1267 7.682} {0 CHEMBL2181019,1 1.531,2 21.855,3 2.977,4 8.864,5 259.303,6 6.789,7 0.254,8 4.994,9 5.13,10 4.435,11 4.456,12 6.103,13 4.424,14 5.554,15 5.751,16 4.787,17 4.845,18 6.629,19 4.781,20 5.9,21 6.117,22 4.937,23 5.041,24 7.032,25 4.961,26 6.064,27 6.305,28 5.006,29 5.1,30 7.189,31 5.028,32 6.109,33 6.335,34 5.152,35 5.173,36 7.403,37 5.116,38 6.205,39 6.43,40 5.205,41 5.286,42 7.423,43 5.214,44 6.317,45 6.553,46 5.208,47 5.357,48 7.509,49 5.268,50 6.35,51 6.6,52 5.21,53 5.386,54 7.5,55 5.278,56 0.132,57 1.981,58 32.031,59 12.718,60 38.858,61 17.985,62 0.737,63 3.067,64 58.777,65 20.597,66 113.856,67 30.47,68 1.514,69 3.881,70 86.257,71 27.063,72 241.511,73 39.988,74 1.681,75 4.258,76 103.86,77 28.509,78 317.988,79 43.921,80 2.477,81 4.531,82 109.023,83 29.972,84 454.306,85 45.616,86 2.185,87 4.978,88 118.901,89 35.279,90 390.43,91 52.131,92 2.453,93 5.361,94 133.995,95 39.119,96 498.327,97 58.149,98 2.59,99 5.547,100 138.029,101 41.588,102 486.597,103 62.343,104 397,105 96,106 0.209,107 0.475,108 0.679,109 0.805,110 0.852,111 0.874,112 4.25,113 0.987,114 -1.49,115 -1.57,116 -1.61,117 36.2,118 6,119 6,120 2,122 2,123 1,125 8,135 15,136 3,145 8,148 1,149 1,150 1,154 26,156 2,157 4,159 1,160 6,162 9,163 26,165 1,166 2,167 11,169 8,170 3,171 13,174 14,176 1,178 16,181 1,182 1,183 10,186 4,189 8,190 19,191 1,192 6,193 1,194 15,197 9,200 1,201 22,203 1,204 9,205 3,206 14,207 1,208 17,211 2,212 21,214 1,215 3,216 1,217 11,220 19,223 5,224 23,226 6,227 2,228 15,230 1,231 21,233 2,236 17,239 3,240 4,241 20,242 1,243 28,245 4,246 15225,247 44.346,248 44.346,249 44.346,250 44.346,251 44.346,252 40.999,253 45.137,254 26.377,255 44.713,256 34.881,257 34.881,258 34.881,259 34.881,260 34.881,261 29.599,262 45.546,263 12.508,264 35.367,265 5.608,266 3.663,267 2.17,268 1.247,269 0.901,270 0.743,271 4.921,276 3071,277 8.573,280 1001.68,285 3.12,286 127.257,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 152,297 1508,298 4.267,299 3.946,300 6.714,301 4.117,302 3.145,303 3.504,304 2.033,305 10.682,306 3.051,307 4.242,308 3.931,309 6.64,310 4.074,311 3.104,312 3.467,313 2.021,314 10.425,315 3.006,316 4.044,317 3.77,318 6.244,319 3.89,320 2.912,321 3.445,322 1.99,323 9.211,324 2.843,325 4.003,326 3.741,327 6.119,328 3.831,329 2.845,330 3.418,331 1.968,332 8.92,333 2.795,334 3.916,335 3.635,336 6.053,337 3.718,338 2.739,339 3.334,340 1.927,341 8.662,342 2.679,343 3.902,344 3.623,345 5.888,346 3.606,347 2.609,348 3.163,349 1.926,350 7.975,351 2.593,352 3.882,353 3.538,354 5.706,355 3.522,356 2.525,357 3.114,358 1.888,359 7.29,360 2.506,361 3.771,362 3.51,363 5.352,364 3.513,365 2.518,366 2.947,367 1.886,368 6.997,369 2.504,370 3.722,371 2.976,372 5.316,373 3.431,374 2.434,375 2.908,376 0.653,377 6.854,378 2.421,379 3.667,380 2.773,381 5.292,382 3.368,383 2.368,384 2.81,385 0.635,386 6.743,387 2.365,388 3.533,389 2.705,390 5.214,391 3.221,392 2.194,393 2.695,394 0.538,395 6.011,396 2.237,397 3.41,398 2.586,399 4.996,400 3.154,401 2.154,402 2.496,403 0.359,404 5.566,405 2.139,406 3.176,407 2.547,408 4.847,409 3.077,410 2.074,411 2.198,412 0.314,413 5.269,414 2.075,415 3.162,416 2.375,417 4.659,418 2.965,419 1.965,420 2.176,421 0.155,422 5.143,423 1.951,424 2.981,425 2.316,426 4.617,427 2.724,428 1.756,429 2.122,430 0.106,431 4.663,432 1.689,433 32.033,434 0.464,435 2.088,436 0.03,437 72.25,438 1.047,439 30,440 0.435,441 42.25,442 0.612,443 103.297,444 1.497,445 80.767,446 0.573,447 91.923,448 1.332,449 14.35,450 0.208,451 18.234,452 0.264,453 0.241,455 0.353,459 0.757,460 1.458,461 0.917,462 1.247,463 0.657,464 1.122,465 0.614,466 1.272,467 0.895,468 1.167,469 0.571,470 1.089,471 0.995,472 1.123,473 1.068,474 1.118,475 1.027,476 1.108,477 1.309,478 1.07,479 1.044,480 0.954,481 1.274,482 0.942,483 1.185,484 1.012,485 1.023,486 0.939,487 1.16,488 0.94,489 1.199,490 1.041,491 1.057,492 1.035,493 1.203,494 1.02,495 1.304,496 1.029,497 1.097,498 0.999,499 1.303,500 1.009,501 1.024,502 0.983,503 1,504 0.984,505 1.037,506 0.989,507 16,508 0.971,509 8.222,510 5.063,511 4.613,512 3.271,513 2.349,514 1.833,515 1.506,516 1.101,517 106761,518 290778,519 1.892,520 51.1,521 13,522 31,525 9,526 4,527 15,529 1.927,530 1.718,531 4.359,532 4.69,535 215.929,536 1.531,537 3.477,538 4.97,539 5.892,540 6.238,541 6.396,542 3.794,543 5.75,544 6.082,545 4.582,546 10750.1,547 10.949,548 286961,552 1006.68,553 1.57,554 5.999,555 0.225,556 0.007,557 0.086,558 0.048,559 0.041,560 0.025,561 0.017,562 0.014,563 0.011,564 0.008,565 0.483,566 0.17,567 0.5,568 1.715,569 456.409,570 -0.072,571 -0.094,572 0.004,573 -0.007,574 -0.071,575 0.011,576 0.129,577 -0.063,578 0.05,579 -0.05,580 0.057,581 -0.023,582 0.032,583 -0.022,584 -0.072,585 -0.088,586 -0.052,587 -0.103,588 -0.133,589 -0.049,590 -0.016,591 0.004,592 -0.105,593 0.018,594 0.065,595 0.042,596 0.017,597 0.025,598 0.087,599 0.016,600 -0.019,601 0.005,602 -0.035,603 -0.039,604 -0.015,605 -0.04,606 -0.097,607 -0.032,608 -0.072,609 -0.016,610 -0.061,611 -0.036,612 0.029,613 0.002,614 0.003,615 -0.001,616 0.012,617 -0.005,618 2.882,619 7.169,620 0.261,621 122.67,622 1.003,623 1.137,624 0.261,625 0.068,626 0.624,627 4.277,628 4.575,629 4.745,630 4.898,631 5.056,632 5.037,633 5.081,634 5.147,635 5.209,636 5.187,637 12.849,638 0.59,639 957.31,640 4.277,641 5.814,642 6.627,643 7.479,644 8.314,645 9.169,646 10.013,647 10.87,648 11.719,649 12.578,650 5.7,657 8,662 15,666 3,667 18,676 141,677 26,678 3,679 71,680 143,681 51,682 18,683 3,684 15,686 3,687 3,690 6,697 14,698 26,699 25,700 2,701 8,704 8,708 8,713 72,714 18,715 9,716 18,719 8,721 1,722 10,724 2,732 3,739 1,740 5,741 2,751 2,753 3,756 8,759 69,760 1,762 2,763 7,764 5,767 10,768 2,772 7.1,773 2,775 8,778 40.167,779 26.3,780 15.5,781 8.385,783 1.409,784 1.173,785 0.883,786 24.37,787 9.564,788 4.489,789 4.931,790 5.254,791 5.568,792 5.945,793 5.756,794 5.907,795 6.128,796 6.313,797 6.345,798 1,799 105,800 26.297,801 11.481,802 8.06,803 48.076,804 38.471,805 2.56,806 176.667,809 741.579,810 276.395,811 129.2,813 286.526,816 276.395,817 1028.11,818 129.2,819 69.744,820 146.512,821 227.51,822 238.797,823 9.557,825 741.579,827 741.579,828 405.594,829 286.526,831 565.013,832 377.726,833 85.367,835 199.464,836 206.13,839 741.579,840 415.726,841 276.395,844 741.579,845 64.507,846 218.136,847 90.054,848 319.423,849 741.579,850 415.726,851 276.395,852 0.58,853 0.324,854 0.16,855 0.09,856 32,857 23,858 0.189,859 27,861 1,862 6.519,863 790.002,865 18,866 405.488,870 57.991,871 28.996,872 19.537,874 415.726,875 27.377,879 2.381,880 208.318,881 1433.7,882 88,885 107.607,889 -5.348,891 141.363,892 160.367,893 0.214,894 0.487,895 0.696,896 0.825,897 0.874,898 0.896,899 5.738,900 2.518,901 6.621,902 7.29,903 5.263,904 5.62,905 4.003,906 7.393,907 5.234,908 6.903,909 2.434,910 8.174,911 6.997,912 4.934,913 5.345,914 3.5,915 8.258,916 4.895,917 8.174,918 2.368,919 9.826,920 6.854,921 6.83,922 7.532,923 5.064,924 11.324,925 6.762,926 9.469,927 2.194,928 11.535,929 6.743,930 7.266,931 7.954,932 5.166,933 12.985,934 7.18,935 10.791,936 2.154,937 13.281,938 6.011,939 8.672,940 9.7,941 6.28,942 15.596,943 8.557,944 12.129,945 2.074,946 15.052,947 5.566,948 9.45,949 10.42,950 6.646,951 17.603,952 9.309,953 13.482,954 1.965,955 16.843,956 5.269,957 10.668,958 11.991,959 7.558,960 20.047,961 10.498,962 3.145,963 1.756,964 18.647,965 5.143,966 11.611,967 12.863,968 8.062,969 22.22,970 11.41,971 3.104,972 10.682,973 20.464,974 4.663,975 12.754,976 14.343,977 8.871,978 24.6,979 12.522,980 2.912,981 10.425,982 22.291,983 3.504,984 13.78,985 15.307,986 9.451,987 26.856,988 13.514,989 2.845,990 9.211,991 24.125,992 3.467,993 14.896,994 16.731,995 10.203,996 29.212,997 14.599,998 2.739,999 8.92,1000 25.966,1001 3.445,1002 15.964,1003 17.758,1004 10.828,1005 31.511,1006 15.632,1007 2.609,1008 8.662,1009 27.814,1010 3.418,1011 17.073,1012 19.14,1013 11.549,1014 33.86,1015 16.709,1016 2.525,1017 7.975,1018 29.666,1019 3.334,1020 18.164,1021 20.215,1022 12.198,1023 36.182,1024 17.765,1025 106230,1026 175524,1027 43.983,1028 87.955,1029 106.738,1030 111.602,1031 109.943,1032 104.545,1033 104.437,1034 125.268,1035 36.888,1036 289.748,1037 103.097,1038 5.26,1039 5.946,1040 6.516,1041 5.171,1042 5.145,1043 6.504,1044 3.58,1045 18.153,1046 5.051,1047 54.05,1048 1.503,1049 1.572,1050 1.548,1051 1.472,1052 1.471,1053 1.764,1054 0.52,1055 4.081,1056 1.452,1057 4.027,1058 4.069,1059 3.946,1060 3.922,1061 7.448,1062 3.919,1063 3.931,1064 3.967,1065 3.858,1066 3.859,1067 7.434,1068 3.852,1069 3.895,1070 3.928,1071 3.819,1072 3.837,1073 7.43,1074 3.829,1075 3.871,1076 3.913,1077 3.796,1078 3.724,1079 7.428,1080 3.735,1081 3.842,1082 3.889,1083 3.761,1084 3.675,1085 7.427,1086 3.685,1087 3.757,1088 3.803,1089 3.673,1090 3.589,1091 7.425,1092 3.598,1093 3.737,1094 3.787,1095 3.648,1096 3.56,1097 7.422,1098 3.575,1099 3.673,1100 3.721,1101 3.562,1102 3.516,1103 7.421,1104 3.517,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.044,1110 4.267,1111 0.049,1112 3.946,1113 0.029,1114 6.714,1115 0.15,1116 4.117,1117 0.043,1118 3.145,1119 3.504,1120 2.033,1121 10.682,1122 3.051,1123 1.932,1124 1.902,1125 2.065,1126 2.048,1127 1.326,1128 2.05,1129 1.931,1130 1.9,1131 2.062,1132 2.042,1133 1.306,1134 2.047,1135 1.906,1136 1.876,1137 2.036,1138 2,1139 1.269,1140 2.008,1141 1.809,1142 1.763,1143 2.014,1144 1.992,1145 1.258,1146 1.996,1147 1.8,1148 1.749,1149 1.993,1150 1.981,1151 1.211,1152 1.989,1153 1.716,1154 1.667,1155 1.921,1156 1.908,1157 1.147,1158 1.912,1159 1.686,1160 1.637,1161 1.875,1162 1.888,1163 1.051,1164 1.889,1165 1.646,1166 1.599,1167 1.846,1168 1.837,1169 1.033,1170 1.844,1171 4.963,1173 6.267,1175 7.737,1177 9.28,1179 10.864,1180 12.584,1183 5.447,1184 21.479,1185 -0.469,1186 13.595,1189 -10.364,1190 2.378,1192 83.177,1193 215.929,1194 490.256,1195 700.737,1196 830.824,1197 879.618,1198 901.883,1199 534.033,1200 8.155,1201 269.67,1202 269.67,1203 18,1204 13.132,1205 4.755,1206 4.17,1207 215.073,1208 539,1209 553,1210 0.186,1211 522.351,1212 952.1,1213 1266.3,1214 43641,1216 51.371,1217 0.745,1218 0.594,1219 51.371,1220 41.016,1221 32.584,1222 0.459,1223 0.329,1224 23.056,1225 31.348,1226 22.256,1227 18.656,1228 32.584,1229 23.366,1230 29.745,1231 0.31,1232 0.191,1233 29.745,1234 18.29,1235 22.487,1236 0.197,1237 0.102,1238 22.487,1239 11.664,1240 16.7,1241 0.126,1242 0.057,1243 16.7,1244 7.639,1245 12.844,1246 0.082,1247 0.032,1248 12.844,1249 4.998,1250 0.299,1251 204.898,1252 0.151,1253 55.249,1254 0.49,1255 334,1256 1044.45,1257 371.714,1258 992.699,1259 1280.63,1260 914,1261 377,1262 867.693,1263 413.891,1264 874.455,1265 1255.73,1266 818,1267 7.517} {0 CHEMBL2181020,1 1.532,2 20.415,3 2.12,4 4.495,5 243.857,6 6.637,7 0.182,8 4.959,9 5.1,10 4.374,11 4.396,12 6.058,13 4.362,14 5.53,15 5.735,16 4.734,17 4.784,18 6.593,19 4.719,20 5.877,21 6.1,22 4.889,23 4.992,24 7.008,25 4.911,26 6.046,27 6.291,28 4.979,29 5.067,30 7.172,31 4.995,32 6.086,33 6.306,34 5.12,35 5.143,36 7.394,37 5.087,38 6.193,39 6.422,40 5.166,41 5.265,42 7.393,43 5.187,44 6.313,45 6.554,46 5.162,47 5.335,48 7.492,49 5.236,50 6.343,51 6.601,52 5.14,53 5.338,54 7.485,55 5.22,56 0.133,57 1.903,58 31.911,59 12.295,60 38.569,61 17.663,62 0.747,63 2.913,64 58.473,65 19.681,66 116.081,67 29.668,68 1.575,69 3.668,70 85.385,71 25.56,72 243.015,73 38.579,74 1.671,75 4.018,76 102.309,77 27.549,78 313.983,79 43.101,80 2.535,81 4.306,82 107.376,83 28.86,84 468.492,85 44.357,86 2.194,87 4.799,88 118.069,89 34.331,90 379.851,91 51.761,92 2.401,93 5.137,94 133.474,95 38.542,96 487.742,97 58.368,98 2.695,99 5.211,100 137.697,101 39.845,102 507.276,103 60.998,104 498,105 90,106 0.211,107 0.467,108 0.678,109 0.818,110 0.855,111 0.869,112 4.191,113 1.009,114 -1.06,115 -1.16,116 -1.25,117 34.3,118 8,119 6,120 2,122 2,125 9,135 10,136 2,145 8,148 1,149 1,150 1,154 20,156 2,157 4,159 1,160 6,162 10,163 21,165 1,166 2,167 11,169 8,170 3,171 11,174 11,176 1,178 17,181 1,182 1,183 8,186 4,189 8,190 18,191 1,192 6,193 1,194 14,197 10,200 1,201 18,203 1,204 9,205 3,206 14,207 1,208 16,211 2,212 19,214 1,215 3,216 1,217 11,220 17,223 5,224 20,226 6,227 2,228 16,230 1,231 17,233 2,236 15,239 3,240 4,241 18,242 1,243 18,245 4,246 13010,247 41.07,248 41.07,249 41.07,250 41.07,251 41.07,252 38.474,253 44.911,254 24.266,255 41.455,256 32.398,257 32.398,258 32.398,259 32.398,260 32.398,261 28.17,262 46.551,263 11.481,264 32.913,265 5.566,266 3.715,267 2.183,268 1.172,269 0.902,270 0.8,271 4.852,276 2656,277 8.66,280 628.605,285 2.932,286 125.156,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 144,297 1327,298 4.267,299 3.946,300 6.714,301 4.117,302 3.145,303 3.502,304 2.033,305 10.682,306 3.051,307 4.244,308 3.933,309 6.643,310 4.077,311 3.108,312 3.467,313 2.021,314 10.438,315 3.008,316 4.044,317 3.771,318 6.244,319 3.89,320 2.912,321 3.418,322 1.99,323 9.211,324 2.844,325 4.003,326 3.741,327 6.12,328 3.832,329 2.846,330 3.338,331 1.967,332 8.923,333 2.796,334 3.916,335 3.638,336 6.053,337 3.718,338 2.739,339 3.166,340 1.926,341 8.662,342 2.679,343 3.883,344 3.624,345 5.895,346 3.605,347 2.609,348 3.114,349 1.926,350 8.004,351 2.592,352 3.775,353 3.538,354 5.706,355 3.522,356 2.525,357 2.956,358 1.888,359 7.29,360 2.504,361 3.747,362 3.51,363 5.316,364 3.435,365 2.439,366 2.921,367 1.886,368 6.856,369 2.426,370 3.679,371 2.976,372 5.309,373 3.42,374 2.426,375 2.814,376 0.635,377 6.82,378 2.408,379 3.533,380 2.756,381 5.215,382 3.221,383 2.196,384 2.695,385 0.632,386 6.028,387 2.237,388 3.411,389 2.586,390 5.028,391 3.157,392 2.165,393 2.497,394 0.359,395 5.662,396 2.14,397 3.19,398 2.547,399 4.93,400 3.122,401 2.142,402 2.207,403 0.318,404 5.495,405 2.096,406 3.168,407 2.392,408 4.669,409 3.017,410 2.022,411 2.193,412 0.16,413 5.145,414 1.996,415 3.11,416 2.333,417 4.658,418 2.96,419 1.955,420 2.145,421 0.155,422 5.037,423 1.948,424 2.891,425 2.284,426 4.452,427 2.587,428 1.61,429 2.031,430 0.093,431 4.188,432 1.561,433 30.033,434 0.462,435 2.164,436 0.033,437 63.75,438 0.981,439 24,440 0.369,441 39.75,442 0.612,443 102.04,444 1.57,445 77.967,446 0.569,447 81.718,448 1.257,449 12.384,450 0.191,451 18.038,452 0.278,453 0.291,455 0.376,459 0.762,460 1.545,461 0.944,462 1.321,463 0.665,464 1.178,465 0.604,466 1.315,467 0.875,468 1.186,469 0.559,470 1.09,471 1.017,472 1.104,473 1.08,474 1.107,475 1.029,476 1.102,477 1.269,478 1.058,479 1.004,480 0.944,481 1.244,482 0.918,483 1.24,484 1.048,485 1.068,486 0.97,487 1.242,488 0.977,489 1.146,490 1.046,491 1.065,492 1.051,493 1.126,494 1.04,495 1.22,496 1.062,497 1.086,498 1.046,499 1.222,500 1.043,501 1.03,502 0.995,503 1.007,504 0.995,505 1.061,506 1,507 16.5,508 0.938,509 8,510 5.25,511 4.542,512 3.181,513 2.389,514 1.802,515 1.367,516 1.084,517 86378,518 236340,519 1.845,520 52.6,521 13,522 25,525 9,526 4,527 21,529 1.914,530 1.66,531 4.257,532 4.783,535 209.911,536 1.532,537 3.384,538 4.915,539 5.926,540 6.196,541 6.298,542 3.691,543 5.672,544 5.997,545 4.496,546 9352.37,547 10.779,548 237576,552 972.43,553 1.584,554 5.898,555 0.25,556 0.008,557 0.089,558 0.053,559 0.042,560 0.026,561 0.018,562 0.014,563 0.011,564 0.009,565 0.52,566 0.17,567 0.5,568 1.912,569 422.589,570 -0.073,571 -0.126,573 -0.026,574 -0.073,575 -0.002,576 0.138,577 -0.087,578 0.082,579 -0.047,580 0.068,581 -0.004,582 0.017,583 0.018,584 -0.073,585 -0.069,586 -0.056,587 -0.089,588 -0.118,589 -0.037,590 0.023,591 0.027,592 -0.089,593 0.052,594 0.039,595 0.027,596 -0.017,597 0.016,598 0.058,599 -0.007,600 -0.02,601 0.025,602 -0.045,603 -0.037,604 -0.01,605 -0.044,606 -0.077,607 -0.058,608 -0.069,609 -0.044,610 -0.046,611 -0.053,612 0.022,613 -0.019,614 -0.005,615 -0.012,617 -0.016,618 2.874,619 7.125,620 0.185,621 108.012,622 1.003,623 1.141,624 -0.168,625 0.028,626 0.613,627 4.205,628 4.511,629 4.663,630 4.82,631 4.963,632 4.963,633 4.99,634 5.024,635 5.05,636 5.017,637 12.165,638 0.578,639 909.27,640 4.205,641 5.746,642 6.555,643 7.413,644 8.246,645 9.106,646 9.95,647 10.812,648 11.662,649 12.524,650 5.8,657 8,662 10,666 2,667 12,676 137,677 20,678 2,679 66,680 138,681 47,682 12,683 2,684 10,686 2,687 2,690 8,697 15,698 20,699 27,700 2,701 8,704 8,708 8,713 72,714 18,715 9,716 18,719 8,721 1,722 10,724 2,732 2,739 1,740 5,741 2,751 2,753 2,756 10,759 65,760 1,762 2,763 6,764 5,767 11,768 2,772 7.3,773 2,775 8,778 39.167,779 26.217,780 14.583,781 8.274,783 1.139,784 1.144,785 0.867,786 24.217,787 9.073,788 4.394,789 4.82,790 5.103,791 5.395,792 5.73,793 5.59,794 5.736,795 5.925,796 6.056,797 6.061,798 1,799 99,800 24.812,801 10.799,802 8.097,803 45.23,804 35.999,805 2.597,806 168.833,809 741.579,810 241.372,811 129.2,813 286.526,816 241.372,817 1028.11,818 129.2,819 87.394,820 144.407,821 180.129,822 238.797,823 6.371,825 741.579,827 741.579,828 370.572,829 286.526,831 494.386,832 448.353,833 85.367,835 215.008,836 155.564,839 741.579,840 415.726,841 241.372,844 741.579,845 59.216,846 188.405,847 90.054,848 319.423,849 741.579,850 415.726,851 241.372,852 0.582,853 0.32,854 0.159,855 0.089,856 29,857 23,858 0.188,859 26,861 1,862 6.144,863 723.537,865 12,866 377.454,870 56.584,871 27.82,872 19.449,874 415.726,875 18.031,879 1.52,880 208.318,881 1398.68,882 80,885 106.728,889 -5.286,891 137.363,892 156.367,893 0.216,894 0.477,895 0.693,896 0.835,897 0.873,898 0.887,899 5.656,900 2.439,901 6.564,902 7.29,903 5.198,904 5.509,905 3.993,906 7.345,907 5.166,908 6.824,909 2.426,910 8.125,911 6.856,912 4.934,913 5.308,914 3.5,915 8.235,916 4.89,917 8.098,918 2.196,919 9.785,920 6.82,921 6.777,922 7.391,923 5.062,924 11.296,925 6.702,926 9.394,927 2.165,928 11.501,929 6.028,930 7.252,931 7.88,932 5.166,933 12.965,934 7.159,935 10.717,936 2.142,937 13.251,938 5.662,939 8.63,940 9.537,941 6.279,942 15.581,943 8.507,944 12.057,945 2.022,946 15.026,947 5.495,948 9.433,949 10.316,950 6.645,951 17.593,952 9.284,953 13.411,954 1.955,955 16.82,956 5.145,957 10.637,958 11.813,959 7.557,960 20.042,961 10.458,962 3.145,963 1.61,964 18.628,965 5.037,966 11.595,967 12.735,968 8.061,969 22.218,970 11.385,971 3.108,972 10.682,973 20.447,974 4.188,975 12.733,976 14.155,977 8.87,978 24.6,979 12.492,980 2.912,981 10.438,982 22.276,983 3.502,984 13.767,985 15.159,986 9.45,987 26.858,988 13.494,989 2.846,990 9.211,991 24.113,992 3.467,993 14.882,994 16.535,995 10.202,996 29.216,997 14.577,998 2.739,999 8.923,1000 25.957,1001 3.418,1002 15.955,1003 17.593,1004 10.826,1005 31.516,1006 15.617,1007 2.609,1008 8.662,1009 27.806,1010 3.338,1011 17.065,1012 18.938,1013 11.548,1014 33.865,1015 16.694,1016 2.525,1017 8.004,1018 29.66,1019 3.166,1020 18.16,1021 20.036,1022 12.197,1023 36.189,1024 17.755,1025 87671,1026 145264,1027 39.824,1028 83.955,1029 99.522,1030 104.666,1031 103.409,1032 97.476,1033 97.361,1034 114.029,1035 36.071,1036 272.48,1037 95.99,1038 5.26,1039 5.946,1040 6.516,1041 5.17,1042 5.145,1043 6.502,1044 3.58,1045 18.153,1046 5.051,1047 54.953,1048 1.508,1049 1.586,1050 1.567,1051 1.477,1052 1.475,1053 1.728,1054 0.547,1055 4.128,1056 1.454,1057 4.016,1058 4.059,1059 3.934,1060 3.909,1061 7.448,1062 3.906,1063 3.928,1064 3.964,1065 3.855,1066 3.857,1067 7.434,1068 3.851,1069 3.872,1070 3.913,1071 3.796,1072 3.729,1073 7.43,1074 3.738,1075 3.843,1076 3.889,1077 3.762,1078 3.675,1079 7.428,1080 3.685,1081 3.766,1082 3.814,1083 3.683,1084 3.591,1085 7.427,1086 3.605,1087 3.748,1088 3.798,1089 3.654,1090 3.579,1091 7.425,1092 3.587,1093 3.678,1094 3.732,1095 3.572,1096 3.516,1097 7.422,1098 3.518,1099 3.659,1100 3.719,1101 3.526,1102 3.474,1103 7.421,1104 3.477,1105 0.065,1106 0.06,1107 0.102,1108 0.062,1109 0.048,1110 4.267,1111 0.053,1112 3.946,1113 0.031,1114 6.714,1115 0.162,1116 4.117,1117 0.046,1118 3.145,1119 3.502,1120 2.033,1121 10.682,1122 3.051,1123 1.931,1124 1.9,1125 2.065,1126 2.047,1127 1.326,1128 2.049,1129 1.929,1130 1.898,1131 2.059,1132 2.038,1133 1.306,1134 2.043,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.982,1145 1.258,1146 1.989,1147 1.717,1148 1.668,1149 1.927,1150 1.912,1151 1.211,1152 1.916,1153 1.709,1154 1.656,1155 1.921,1156 1.905,1157 1.094,1158 1.911,1159 1.646,1160 1.599,1161 1.868,1162 1.853,1163 1.051,1164 1.864,1165 1.633,1166 1.567,1167 1.846,1168 1.837,1169 1.032,1170 1.844,1171 4.89,1173 6.201,1175 7.67,1177 9.213,1179 10.799,1180 16.202,1183 5.434,1184 21.411,1185 -0.658,1186 13.502,1189 -10.424,1190 2.375,1192 79.177,1193 209.911,1194 463.541,1195 673.423,1196 811.862,1197 848.882,1198 862.882,1199 644.454,1200 7.934,1201 269.67,1202 269.67,1203 12,1204 13.076,1205 4.392,1206 3.907,1207 251.442,1208 478,1209 467,1210 0.245,1211 500.157,1212 914.08,1213 1212.14,1214 31904,1216 49.128,1217 0.756,1218 0.608,1219 49.128,1220 39.499,1221 30.422,1222 0.461,1223 0.336,1224 21.884,1225 29.181,1226 21.019,1227 17.692,1228 30.422,1229 22.192,1230 28.293,1231 0.314,1232 0.197,1233 28.293,1234 17.75,1235 20.575,1236 0.196,1237 0.103,1238 20.575,1239 10.786,1240 15.43,1241 0.125,1242 0.058,1243 15.43,1244 7.117,1245 11.47,1246 0.081,1247 0.032,1248 11.47,1249 4.614,1250 0.394,1251 191.881,1252 0.158,1253 52.648,1254 0.651,1255 312,1256 990.45,1257 350.047,1258 936.508,1259 1200.76,1260 860,1261 351,1262 809.974,1263 387.725,1264 813.863,1265 1168.14,1266 760,1267 7.285} {0 CHEMBL2181021,1 1.562,2 21.304,3 1.804,4 3.254,5 252.905,6 6.846,7 0.169,8 5,9 5.133,10 4.447,11 4.437,12 6.112,13 4.413,14 5.578,15 5.771,16 4.812,17 4.834,18 6.666,19 4.779,20 5.923,21 6.142,22 4.958,23 5.031,24 7.065,25 4.958,26 6.069,27 6.302,28 5.044,29 5.087,30 7.226,31 5.033,32 6.109,33 6.322,34 5.176,35 5.165,36 7.448,37 5.12,38 6.216,39 6.44,40 5.214,41 5.287,42 7.428,43 5.217,44 6.332,45 6.567,46 5.231,47 5.352,48 7.528,49 5.271,50 6.351,51 6.593,52 5.24,53 5.376,54 7.549,55 5.278,56 0.192,57 1.967,58 32.133,59 12.692,60 43.44,61 17.823,62 0.976,63 3.05,64 60.474,65 20.542,66 136.712,67 30.428,68 1.851,69 3.82,70 88.858,71 26.724,72 268.336,73 39.848,74 2.026,75 4.109,76 105.015,77 27.825,78 358.752,79 42.788,80 2.962,81 4.414,82 109.436,83 29.39,84 521.464,85 44.534,86 2.52,87 4.923,88 120.267,89 35.162,90 407.531,91 52.383,92 2.854,93 5.238,94 136.663,95 38.794,96 536.157,97 58.059,98 3.063,99 5.403,100 138.742,101 40.504,102 551.463,103 61.09,104 452,105 97,106 0.214,107 0.481,108 0.712,109 0.839,110 0.875,111 0.882,112 4.25,113 0.99,114 -0.37,115 -0.5,116 -0.66,117 34.8,118 6,119 8,120 2,122 2,123 1,125 9,135 10,136 2,145 9,148 1,149 1,150 1,154 21,156 3,157 5,159 1,160 6,162 9,163 20,165 1,166 3,167 12,169 8,170 4,171 12,174 11,176 1,178 18,181 1,182 1,183 9,186 4,189 10,190 16,191 1,192 6,193 1,194 16,197 10,200 1,201 21,203 1,204 11,205 3,206 13,207 1,208 16,211 2,212 21,214 1,215 3,216 1,217 11,220 17,223 7,224 21,226 6,227 2,228 19,230 1,231 17,233 2,236 22,239 6,240 3,241 17,242 1,243 18,245 4,246 15017,247 44.302,248 44.302,249 44.302,250 44.302,251 44.302,252 41.576,253 46.584,254 26.113,255 44.824,256 34.806,257 34.806,258 34.806,259 34.806,260 34.806,261 30.29,262 44.029,263 12.255,264 35.431,265 5.577,266 3.623,267 1.937,268 1.009,269 0.752,270 0.695,271 4.919,276 2989,277 8.602,279 280.703,280 657.689,285 3.074,286 140.275,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 154,297 1470,298 4.277,299 3.972,300 6.73,301 4.118,302 3.154,303 3.503,304 2.474,305 10.868,306 3.051,307 4.267,308 3.946,309 6.714,310 4.117,311 3.145,312 3.467,313 2.033,314 10.682,315 3.036,316 4.067,317 3.819,318 6.244,319 3.904,320 2.923,321 3.418,322 2.008,323 9.212,324 2.86,325 4.018,326 3.742,327 6.143,328 3.856,329 2.876,330 3.372,331 1.99,332 8.987,333 2.812,334 3.951,335 3.726,336 6.063,337 3.744,338 2.76,339 3.226,340 1.976,341 8.693,342 2.707,343 3.915,344 3.634,345 6.033,346 3.709,347 2.728,348 3.117,349 1.928,350 8.607,351 2.672,352 3.844,353 3.622,354 5.787,355 3.564,356 2.566,357 3.046,358 1.926,359 7.694,360 2.554,361 3.767,362 3.533,363 5.706,364 3.522,365 2.525,366 2.938,367 1.887,368 7.29,369 2.504,370 3.709,371 3.51,372 5.368,373 3.427,374 2.43,375 2.882,376 1.886,377 6.873,378 2.418,379 3.661,380 2.976,381 5.315,382 3.37,383 2.372,384 2.799,385 0.666,386 6.847,387 2.359,388 3.532,389 2.772,390 5.214,391 3.221,392 2.194,393 2.694,394 0.635,395 5.999,396 2.237,397 3.407,398 2.586,399 4.992,400 3.153,401 2.154,402 2.494,403 0.372,404 5.56,405 2.139,406 3.174,407 2.547,408 4.954,409 3.065,410 2.061,411 2.198,412 0.359,413 5.409,414 2.064,415 3.158,416 2.546,417 4.668,418 2.964,419 1.964,420 2.183,421 0.286,422 5.145,423 1.95,424 3.086,425 2.35,426 4.657,427 2.867,428 1.901,429 2.148,430 0.205,431 5.031,432 1.816,433 31.7,434 0.459,435 2.139,436 0.031,437 68.5,438 0.993,439 25.5,440 0.37,441 43,442 0.623,443 106.961,444 1.55,445 82.3,446 0.584,447 89.367,448 1.295,449 13.405,450 0.194,451 19.127,452 0.277,453 0.254,455 0.372,459 0.757,460 1.527,461 0.901,462 1.31,463 0.643,464 1.15,465 0.628,466 1.319,467 0.881,468 1.19,469 0.558,470 1.099,471 0.949,472 1.093,473 1.044,474 1.099,475 0.991,476 1.089,477 1.303,478 1.062,479 1.028,480 0.948,481 1.306,482 0.923,483 1.165,484 1.045,485 1.051,486 0.963,487 1.161,488 0.972,489 1.068,490 1.055,491 1.05,492 1.065,493 1.09,494 1.051,495 1.218,496 1.015,497 1.056,498 0.983,499 1.24,500 0.986,501 0.969,502 1.04,503 1.007,504 1.037,505 1.009,506 1.033,507 16.5,508 0.988,509 8.667,510 5.181,511 4.792,512 3.254,513 2.379,514 1.91,515 1.45,516 1.159,517 105402,518 300737,519 1.884,520 51.1,521 13,522 27,525 9,526 4,527 19,529 1.927,530 1.704,531 4.305,532 4.719,535 220.302,536 1.562,537 3.517,538 5.202,539 6.13,540 6.388,541 6.444,542 3.714,543 5.848,544 6.084,545 4.561,546 10699.4,547 10.95,548 285083,552 1006.68,553 1.578,554 5.994,555 0.232,556 0.008,557 0.089,558 0.049,559 0.041,560 0.025,561 0.017,562 0.014,563 0.011,564 0.009,565 0.495,566 0.17,567 0.5,568 1.798,569 456.033,570 -0.074,571 -0.124,572 0.007,573 -0.029,574 -0.061,575 0.003,576 0.13,577 -0.096,578 0.059,579 -0.054,580 0.066,581 -0.023,582 0.029,583 0.015,584 -0.055,585 -0.067,586 -0.047,587 -0.082,588 -0.151,589 -0.038,590 -0.002,591 0.02,592 -0.126,593 0.042,594 0.05,595 0.027,596 -0.016,597 0.021,598 0.08,599 -0.006,600 -0.013,601 0.013,602 -0.048,603 -0.051,604 -0.015,605 -0.056,606 -0.099,607 -0.018,608 -0.042,609 0.008,610 -0.065,611 -0.002,612 0.04,613 -0.035,614 -0.013,615 -0.038,616 0.025,617 -0.038,618 2.901,619 7.156,620 0.246,621 118.694,622 1.007,623 1.14,624 -0.862,625 0.743,626 0.616,627 4.277,628 4.585,629 4.771,630 4.942,631 5.088,632 5.1,633 5.142,634 5.215,635 5.263,636 5.257,637 12.755,638 0.586,639 965.29,640 4.277,641 5.82,642 6.64,643 7.501,644 8.344,645 9.207,646 10.06,647 10.925,648 11.783,649 12.65,650 5.7,657 8,662 10,666 2,667 12,676 141,677 21,678 2,679 71,680 143,681 49,682 12,683 2,684 10,686 3,687 3,690 6,694 3,697 17,698 21,699 28,700 2,701 9,704 9,708 9,713 72,714 20,715 9,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 2,739 1,740 5,741 2,743 1,751 2,753 3,756 8,759 69,760 1,762 2,763 9,764 5,765 1,767 11,768 2,772 8.5,773 2,775 9,777 1,778 40.5,779 26.3,780 15.528,781 8.507,783 1.066,784 1.13,785 0.874,786 24.277,787 9.279,788 4.466,789 4.89,790 5.19,791 5.478,792 5.814,793 5.684,794 5.822,795 6.051,796 6.192,797 6.274,798 0.929,799 106,800 26.401,801 11.669,802 8.13,803 47.952,804 38.647,805 2.63,806 181.5,809 741.579,810 240.575,811 129.2,813 322.671,816 240.575,817 1064.25,818 129.2,819 72.231,820 151.582,821 180.129,822 271.133,823 17.371,825 741.579,827 741.579,828 369.774,829 322.671,831 517.928,832 460.955,833 85.367,835 204.533,836 165.242,839 741.579,840 451.87,841 240.575,844 741.579,845 73.582,846 173.242,847 90.054,848 355.568,849 741.579,850 451.87,851 240.575,852 0.581,853 0.328,854 0.164,855 0.091,856 33,857 24,858 0.189,859 27,861 1,862 6.451,863 796.473,865 17,866 409.488,870 58.405,871 28.681,872 18.74,874 451.87,875 17.74,879 1.414,880 208.318,881 1434.03,882 86,885 120.016,889 -6.262,891 142.017,892 160.786,893 0.219,894 0.493,895 0.729,896 0.859,897 0.895,898 0.903,899 5.73,900 2.525,901 6.642,902 7.694,903 5.273,904 5.58,905 4.172,906 7.432,907 5.238,908 6.893,909 2.43,910 8.206,911 7.29,912 4.977,913 5.366,914 3.726,915 8.332,916 4.933,917 8.169,918 2.372,919 9.869,920 6.873,921 6.858,922 7.461,923 5.329,924 11.402,925 6.779,926 9.468,927 2.194,928 11.587,929 6.847,930 7.327,931 7.96,932 5.519,933 13.095,934 7.23,935 10.795,936 2.154,937 13.341,938 5.999,939 8.721,940 9.607,941 6.675,942 15.709,943 8.59,944 12.139,945 2.061,946 15.121,947 5.56,948 9.526,949 10.401,950 7.156,951 17.747,952 9.368,953 13.496,954 1.964,955 16.918,956 5.409,957 10.738,958 11.882,959 8.132,960 20.197,961 10.548,962 3.154,963 1.901,964 18.729,965 5.145,966 11.7,967 12.817,968 8.776,969 22.398,970 11.478,971 3.145,972 10.868,973 20.552,974 5.031,975 12.843,976 14.224,977 9.676,978 24.788,979 12.587,980 2.923,981 10.682,982 22.383,983 3.503,984 13.882,985 15.238,986 10.417,987 27.069,988 13.591,989 2.876,990 9.212,991 24.223,992 3.467,993 15.001,994 16.602,995 11.291,996 29.438,997 14.676,998 2.76,999 8.987,1000 26.069,1001 3.418,1002 16.079,1003 17.669,1004 12.093,1005 31.761,1006 15.718,1007 2.728,1008 8.693,1009 27.921,1010 3.372,1011 17.193,1012 19.004,1013 12.964,1014 34.126,1015 16.797,1016 2.566,1017 8.607,1018 29.778,1019 3.226,1020 18.292,1021 20.109,1022 13.803,1023 36.471,1024 17.859,1025 105220,1026 177924,1027 43.695,1028 86.864,1029 106.724,1030 112.653,1031 111.171,1032 104.614,1033 104.594,1034 122.258,1035 41.789,1036 294.289,1037 102.929,1038 5.275,1039 5.972,1040 6.532,1041 5.178,1042 5.154,1043 6.503,1044 4.216,1045 18.339,1046 5.051,1047 55.775,1048 1.503,1049 1.587,1050 1.566,1051 1.473,1052 1.473,1053 1.722,1054 0.589,1055 4.145,1056 1.45,1057 4.028,1058 4.071,1059 3.946,1060 3.913,1061 7.45,1062 3.911,1063 3.935,1064 3.972,1065 3.861,1066 3.858,1067 7.434,1068 3.851,1069 3.872,1070 3.913,1071 3.796,1072 3.741,1073 7.431,1074 3.748,1075 3.864,1076 3.906,1077 3.783,1078 3.703,1079 7.43,1080 3.716,1081 3.839,1082 3.888,1083 3.755,1084 3.672,1085 7.427,1086 3.68,1087 3.754,1088 3.801,1089 3.664,1090 3.588,1091 7.427,1092 3.595,1093 3.703,1094 3.753,1095 3.612,1096 3.519,1097 7.424,1098 3.531,1099 3.669,1100 3.72,1101 3.549,1102 3.51,1103 7.422,1104 3.513,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.044,1110 4.277,1111 0.049,1112 3.972,1113 0.035,1114 6.73,1115 0.153,1116 4.118,1117 0.043,1118 3.154,1119 3.503,1120 2.474,1121 10.868,1122 3.051,1123 1.931,1124 1.9,1125 2.065,1126 2.046,1127 1.326,1128 2.049,1129 1.927,1130 1.897,1131 2.056,1132 2.03,1133 1.306,1134 2.037,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.799,1142 1.748,1143 1.993,1144 1.981,1145 1.246,1146 1.989,1147 1.716,1148 1.667,1149 1.921,1150 1.908,1151 1.215,1152 1.912,1153 1.679,1154 1.635,1155 1.863,1156 1.888,1157 1.211,1158 1.881,1159 1.646,1160 1.599,1161 1.858,1162 1.838,1163 1.051,1164 1.844,1165 1.617,1166 1.571,1167 1.845,1168 1.83,1169 1.024,1170 1.822,1171 4.963,1173 6.275,1174 2.398,1175 7.75,1176 4.595,1177 9.299,1178 6.605,1179 10.892,1180 12.188,1183 5.438,1184 21.454,1185 0.365,1186 13.3,1187 4.921,1189 -11.538,1190 2.464,1192 82.606,1193 220.302,1194 495.848,1195 733.505,1196 864.373,1197 900.638,1198 908.638,1199 569.765,1200 8.213,1201 295.97,1202 295.97,1203 17,1204 13.198,1205 4.459,1206 4,1207 215.123,1208 537,1209 495,1210 0.187,1211 517.013,1212 951.26,1213 1253.27,1214 46586,1216 51.534,1217 0.747,1218 0.593,1219 51.534,1220 40.937,1221 32.533,1222 0.458,1223 0.33,1224 23.06,1225 31.09,1226 22.32,1227 18.64,1228 32.533,1229 23.42,1230 29.781,1231 0.307,1232 0.19,1233 29.781,1234 18.396,1235 22.694,1236 0.194,1237 0.102,1238 22.694,1239 11.894,1240 16.964,1241 0.122,1242 0.058,1243 16.964,1244 7.996,1245 12.968,1246 0.081,1247 0.032,1248 12.968,1249 5.157,1250 0.301,1251 206.152,1252 0.151,1253 55.132,1254 0.494,1255 336,1256 1111.92,1257 379.583,1258 1040.86,1259 1334.66,1260 958,1261 382,1262 897.508,1263 424.319,1264 897.241,1265 1294.68,1266 839,1267 8.306} {0 CHEMBL2181022,1 1.544,2 23.787,3 4.318,4 18.643,5 277.767,6 6.897,7 0.231,8 5.07,9 5.2,10 4.534,11 4.527,12 6.175,13 4.502,14 5.646,15 5.837,16 4.892,17 4.922,18 6.728,19 4.865,20 5.97,21 6.185,22 5.031,23 5.121,24 7.055,25 5.046,26 6.142,27 6.37,28 5.134,29 5.172,30 7.292,31 5.118,32 6.191,33 6.405,34 5.256,35 5.241,36 7.521,37 5.198,38 6.279,39 6.501,40 5.284,41 5.365,42 7.451,43 5.296,44 6.394,45 6.624,46 5.325,47 5.441,48 7.578,49 5.362,50 6.431,51 6.668,52 5.34,53 5.476,54 7.621,55 5.38,56 0.141,57 2.116,58 33.908,59 13.726,60 36.247,61 19.106,62 1.144,63 3.31,64 64.448,65 22.187,66 135.424,67 32.505,68 1.553,69 4.178,70 91.701,71 29.406,72 217.552,73 42.942,74 1.957,75 4.545,76 112.375,77 30.937,78 344.645,79 46.441,80 3.238,81 4.86,82 118.999,83 31.776,84 533.671,85 47.643,86 2.439,87 5.386,88 127.58,89 38.07,90 379.656,91 55.783,92 2.723,93 5.807,94 144.347,95 42.664,96 513.796,97 62.634,98 3.275,99 6.06,100 149.921,101 44.845,102 558.164,103 66.474,104 388,105 106,106 0.208,107 0.477,108 0.704,109 0.815,110 0.856,111 0.876,112 4.332,113 0.979,114 -1.5,115 -1.57,116 -1.62,117 36.4,118 5,119 8,120 2,122 3,123 2,125 8,135 15,136 3,145 8,146 1,148 1,149 1,150 1,154 27,156 5,157 7,159 1,160 6,162 7,163 26,165 1,166 5,167 15,169 6,170 2,171 9,174 14,176 1,178 24,181 1,182 1,183 8,186 4,189 13,190 25,191 1,192 5,193 1,194 13,197 9,200 3,201 23,203 1,204 8,205 2,206 11,207 1,208 15,211 2,212 26,214 1,215 3,216 1,217 11,220 21,223 9,224 29,226 6,227 2,228 15,230 1,231 22,233 2,236 25,239 5,240 2,241 15,242 1,243 23,245 4,246 19311,247 48.785,248 48.785,249 48.785,250 48.785,251 48.785,252 45.308,253 49.74,254 28.96,255 49.442,256 38.279,257 38.279,258 38.279,259 38.279,260 38.279,261 32.72,262 48.426,263 13.638,264 39.096,265 5.694,266 3.697,267 2.009,268 1.186,269 0.881,270 0.734,271 5.009,276 3684,277 8.689,279 306.514,280 1088.93,285 3.523,286 141.384,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 166,297 1784,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.264,308 3.943,309 6.712,310 4.113,311 3.142,312 3.467,313 2.207,314 10.676,315 3.045,316 4.108,317 3.858,318 6.47,319 3.94,320 2.969,321 3.449,322 2.028,323 9.85,324 2.879,325 4.027,326 3.754,327 6.235,328 3.874,329 2.9,330 3.412,331 2.01,332 9.191,333 2.819,334 3.978,335 3.707,336 6.112,337 3.802,338 2.82,339 3.39,340 1.976,341 8.894,342 2.76,343 3.916,344 3.641,345 6.048,346 3.69,347 2.71,348 3.266,349 1.938,350 8.638,351 2.655,352 3.882,353 3.59,354 5.894,355 3.573,356 2.575,357 3.129,358 1.929,359 7.947,360 2.565,361 3.873,362 3.539,363 5.379,364 3.522,365 2.538,366 3.074,367 1.889,368 7.019,369 2.497,370 3.728,371 3.51,372 5.365,373 3.431,374 2.435,375 2.892,376 1.886,377 6.879,378 2.422,379 3.673,380 2.976,381 5.316,382 3.374,383 2.377,384 2.826,385 0.816,386 6.851,387 2.362,388 3.567,389 2.802,390 5.25,391 3.224,392 2.224,393 2.743,394 0.713,395 6.181,396 2.238,397 3.532,398 2.763,399 5.194,400 3.196,401 2.193,402 2.694,403 0.626,404 5.965,405 2.157,406 3.403,407 2.581,408 4.978,409 3.124,410 2.133,411 2.491,412 0.553,413 5.745,414 2.087,415 3.195,416 2.559,417 4.918,418 3.092,419 2.103,420 2.225,421 0.315,422 5.404,423 2.07,424 3.157,425 2.542,426 4.701,427 2.962,428 1.976,429 2.185,430 0.263,431 5.145,432 1.941,433 34.7,434 0.463,435 2.153,436 0.029,437 78.5,438 1.047,439 31.5,440 0.42,441 47,442 0.627,443 114.875,444 1.532,445 87.7,446 0.581,447 102.624,448 1.368,449 15.64,450 0.209,451 19.965,452 0.266,453 0.223,455 0.352,459 0.734,460 1.508,461 0.88,462 1.294,463 0.608,464 1.132,465 0.638,466 1.219,467 0.894,468 1.111,469 0.538,470 1.056,471 0.934,472 1.121,473 1.036,474 1.132,475 0.984,476 1.104,477 1.359,478 1.099,479 1.033,480 0.98,481 1.369,482 0.941,483 1.262,484 0.996,485 1.068,486 0.913,487 1.247,488 0.938,489 1.172,490 1.028,491 1.062,492 1.022,493 1.169,494 1.017,495 1.241,496 1.04,497 1.056,498 1.001,499 1.294,500 0.994,501 1.024,502 1.007,503 1.028,504 1.003,505 1.072,506 1.015,507 16.5,508 1.062,509 8.889,510 5.618,511 5.263,512 3.406,513 2.702,514 2.165,515 1.627,516 1.287,517 138165,518 378273,519 1.921,520 50.3,521 13,522 36,525 7,526 4,527 16,529 1.944,530 1.751,531 4.445,532 3.116,535 233.162,536 1.544,537 3.541,538 5.229,539 6.052,540 6.357,541 6.505,542 3.91,543 5.909,544 6.202,545 4.69,546 13015.5,547 11.186,548 368510,552 1093,553 1.557,554 6.126,555 0.212,556 0.007,557 0.084,558 0.048,559 0.041,560 0.024,561 0.018,562 0.014,563 0.011,564 0.009,565 0.468,566 0.17,567 0.5,568 1.079,569 506.951,570 -0.052,571 -0.153,572 0.023,573 -0.055,574 -0.047,575 -0.008,576 0.166,577 -0.022,578 0.053,579 -0.01,580 0.08,581 -0.006,582 0.017,583 -0.013,584 -0.056,585 -0.096,586 -0.066,587 -0.094,588 -0.143,589 -0.083,590 -0.001,591 -0.017,592 -0.119,593 0.017,594 0.058,595 0.057,596 -0.017,597 0.039,598 0.093,599 0.003,600 -0.055,601 0.024,602 -0.05,603 -0.027,604 -0.042,605 -0.037,606 -0.09,607 -0.042,608 -0.039,609 -0.012,610 -0.053,611 -0.014,612 0.045,613 -0.005,614 -0.022,615 -0.017,616 0.032,617 -0.032,618 2.901,619 7.348,620 0.307,621 142.752,622 1.005,623 1.137,624 0.267,625 0.072,626 0.625,627 4.369,628 4.673,629 4.875,630 5.063,631 5.204,632 5.198,633 5.273,634 5.352,635 5.398,636 5.384,637 13.697,638 0.594,639 1041.39,640 4.369,641 5.911,642 6.735,643 7.595,644 8.44,645 9.304,646 10.159,647 11.026,648 11.887,649 12.756,650 5.3,657 8,662 15,666 3,667 18,676 151,677 27,678 3,679 78,680 154,681 55,682 18,683 3,684 15,686 4,687 4,690 5,694 3,697 16,698 27,699 28,700 2,701 9,704 9,708 9,713 76,714 20,715 7,716 20,719 8,721 1,722 12,724 1,729 1,731 1,732 3,739 1,740 3,741 3,743 1,750 1,751 1,753 4,756 8,759 75,760 1,762 1,763 10,764 4,765 2,767 10,768 3,772 7.9,773 1,775 9,777 2,778 42.833,779 28.3,780 16.889,781 9.056,783 1.3,784 1.154,785 0.894,786 25.368,787 9.751,788 4.575,789 5.014,790 5.348,791 5.676,792 6.03,793 5.858,794 6.017,795 6.246,796 6.407,797 6.431,798 0.938,799 116,800 28.618,801 12.553,802 8.038,803 52.414,804 42.212,805 2.538,806 190.333,809 812.206,810 297.363,811 114.313,813 290.987,816 297.363,817 1103.19,818 114.313,819 71.802,820 141.287,821 184.827,822 266.428,823 31.557,824 6.763,825 812.206,827 812.206,828 411.676,829 290.987,831 623.868,832 436.642,833 42.683,835 185.413,836 226.263,839 812.206,840 405.301,841 297.363,844 812.206,845 83.417,846 223.318,847 72.043,848 323.885,849 812.206,850 405.301,851 297.363,852 0.578,853 0.33,854 0.17,855 0.093,856 37,857 25,858 0.188,859 29,861 1,862 6.912,863 899.697,865 23,866 449.161,870 61.856,871 30.759,872 19.438,874 405.301,875 26.841,879 2.168,880 147.624,881 1514.87,882 96,885 122.285,889 -6.105,891 151.784,892 171.616,893 0.213,894 0.489,895 0.722,896 0.836,897 0.878,898 0.899,899 5.83,900 2.538,901 6.727,902 7.947,903 5.361,904 5.704,905 4.219,906 7.516,907 5.32,908 6.992,909 2.435,910 8.286,911 7.019,912 5.017,913 5.427,914 3.76,915 8.411,916 4.963,917 8.265,918 2.377,919 9.946,920 6.879,921 6.94,922 7.611,923 5.391,924 11.501,925 6.848,926 9.563,927 2.224,928 11.665,929 6.851,930 7.385,931 8.051,932 5.574,933 13.211,934 7.27,935 10.89,936 2.193,937 13.422,938 6.181,939 8.803,940 9.777,941 6.761,942 15.843,943 8.653,944 12.234,945 2.133,946 15.206,947 5.965,948 9.599,949 10.522,950 7.235,951 17.903,952 9.418,953 13.593,954 2.103,955 17.01,956 5.745,957 10.827,958 12.072,959 8.238,960 20.373,961 10.613,962 3.215,963 1.976,964 18.83,965 5.404,966 11.792,967 12.969,968 8.873,969 22.594,970 11.541,971 3.142,972 11.19,973 20.662,974 5.145,975 12.947,976 14.431,977 9.794,978 25.004,979 12.662,980 2.969,981 10.676,982 22.504,983 3.54,984 13.994,985 15.419,986 10.525,987 27.305,988 13.67,989 2.9,990 9.85,991 24.354,992 3.467,993 15.124,994 16.826,995 11.412,996 29.694,997 14.765,998 2.82,999 9.191,1000 26.211,1001 3.449,1002 16.213,1003 17.875,1004 12.203,1005 32.035,1006 15.814,1007 2.71,1008 8.894,1009 28.075,1010 3.412,1011 17.338,1012 19.243,1013 13.079,1014 34.42,1015 16.903,1016 2.575,1017 8.638,1018 29.943,1019 3.39,1020 18.448,1021 20.337,1022 13.909,1023 36.783,1024 17.974,1025 135391,1026 224308,1027 48.953,1028 94.387,1029 117.025,1030 122.937,1031 121.407,1032 114.74,1033 114.741,1034 136.578,1035 44.118,1036 321.328,1037 112.575,1038 5.334,1039 6.01,1040 6.635,1041 5.257,1042 5.215,1043 6.54,1044 4.222,1045 18.868,1046 5.093,1047 56.772,1048 1.5,1049 1.576,1050 1.556,1051 1.471,1052 1.471,1053 1.751,1054 0.566,1055 4.12,1056 1.443,1057 4.041,1058 4.083,1059 3.96,1060 3.925,1061 7.45,1062 3.924,1063 3.937,1064 3.975,1065 3.864,1066 3.859,1067 7.434,1068 3.852,1069 3.905,1070 3.936,1071 3.832,1072 3.839,1073 7.433,1074 3.832,1075 3.865,1076 3.906,1077 3.785,1078 3.736,1079 7.43,1080 3.743,1081 3.858,1082 3.9,1083 3.781,1084 3.7,1085 7.428,1086 3.712,1087 3.839,1088 3.888,1089 3.756,1090 3.671,1091 7.426,1092 3.679,1093 3.742,1094 3.79,1095 3.653,1096 3.58,1097 7.424,1098 3.585,1099 3.718,1100 3.77,1101 3.621,1102 3.536,1103 7.422,1104 3.55,1105 0.056,1106 0.051,1107 0.088,1108 0.054,1109 0.041,1110 4.336,1111 0.045,1112 4.01,1113 0.032,1114 6.833,1115 0.143,1116 4.179,1117 0.04,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.046,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.904,1136 1.876,1137 2.033,1138 2.005,1139 1.268,1140 2.011,1141 1.806,1142 1.759,1143 2.014,1144 1.984,1145 1.262,1146 1.989,1147 1.798,1148 1.748,1149 1.989,1150 1.979,1151 1.215,1152 1.987,1153 1.71,1154 1.661,1155 1.92,1156 1.902,1157 1.21,1158 1.905,1159 1.699,1160 1.651,1161 1.877,1162 1.893,1163 1.132,1164 1.896,1165 1.645,1166 1.598,1167 1.858,1168 1.837,1169 1.051,1170 1.844,1171 5.056,1173 6.365,1174 2.398,1175 7.842,1176 4.595,1177 9.396,1178 6.605,1179 10.993,1180 12.595,1183 5.505,1184 11.786,1185 0.379,1186 10.791,1187 10.325,1189 -10.035,1190 3.799,1192 89.66,1193 233.162,1194 534.709,1195 789.572,1196 913.901,1197 959.94,1198 982.205,1199 512.591,1200 8.451,1201 276.18,1202 276.18,1203 23,1204 13.302,1205 4.807,1206 4.248,1207 203.561,1208 621,1209 689,1210 0.151,1211 558.392,1212 1023.88,1213 1354.24,1214 65801,1216 55.354,1217 0.738,1218 0.591,1219 55.354,1220 44.362,1221 35.605,1222 0.456,1223 0.326,1224 25.054,1225 34.072,1226 24.249,1227 20.27,1228 35.605,1229 25.443,1230 32.155,1231 0.303,1232 0.187,1233 32.155,1234 19.821,1235 25.036,1236 0.193,1237 0.101,1238 25.036,1239 13.155,1240 19.329,1241 0.123,1242 0.057,1243 19.329,1244 8.941,1245 14.636,1246 0.081,1247 0.031,1248 14.636,1249 5.657,1250 0.244,1251 225.132,1252 0.143,1253 58.909,1254 0.398,1255 368,1256 1192.82,1257 413.715,1258 1119.38,1259 1449.69,1260 1034,1261 420,1262 987.535,1263 464.481,1264 991.238,1265 1431.58,1266 925,1267 9.14} {0 CHEMBL2181023,1 1.541,2 19.892,3 2.07,4 4.283,5 242.087,6 6.72,7 0.179,8 4.953,9 5.091,10 4.388,11 4.395,12 6.047,13 4.365,14 5.534,15 5.735,16 4.751,17 4.797,18 6.582,19 4.735,20 5.871,21 6.092,22 4.909,23 5.006,24 6.972,25 4.927,26 6.045,27 6.28,28 5.004,29 5.069,30 7.195,31 5.006,32 6.096,33 6.321,34 5.106,35 5.139,36 7.387,37 5.081,38 6.172,39 6.405,40 5.15,41 5.258,42 7.33,43 5.175,44 6.287,45 6.527,46 5.184,47 5.32,48 7.465,49 5.231,50 6.306,51 6.55,52 5.172,53 5.332,54 7.484,55 5.23,56 0.124,57 1.894,58 31.224,59 12.14,60 35.975,61 17.341,62 0.866,63 2.944,64 58.467,65 19.648,66 116.643,67 29.448,68 1.44,69 3.707,70 84.062,71 26.09,72 209.26,73 38.916,74 1.718,75 4.038,76 102.285,77 27.639,78 321.772,79 42.583,80 2.761,81 4.334,82 108.737,83 28.655,84 479.002,85 44.143,86 2.024,87 4.774,88 114.752,89 34.423,90 333.979,91 51.648,92 2.346,93 5.071,94 129.952,95 37.891,96 467.237,97 56.94,98 2.701,99 5.187,100 132.648,101 38.599,102 492.298,103 58.416,104 402,105 92,106 0.213,107 0.482,108 0.717,109 0.828,110 0.861,111 0.875,112 4.191,113 0.997,114 -1.08,115 -1.17,116 -1.26,117 34.8,118 5,119 8,120 2,122 3,123 1,125 8,135 10,136 2,145 8,148 2,149 2,150 2,154 21,156 4,157 6,159 1,160 4,162 7,163 20,165 2,166 5,167 13,168 2,169 6,170 2,171 9,174 11,176 3,178 19,181 1,182 1,183 7,186 4,189 9,190 18,191 1,192 5,193 1,194 11,197 9,199 1,200 3,201 21,203 2,204 8,205 2,206 9,207 2,208 14,210 1,211 2,212 21,214 1,215 3,216 1,217 10,220 17,223 7,224 23,225 1,226 4,227 2,228 15,230 2,231 16,233 3,234 1,236 21,239 5,240 2,241 15,242 2,243 17,245 6,246 12610,247 41.785,248 41.785,249 41.785,250 41.785,251 41.785,252 39.214,253 43.745,254 24.535,255 42.294,256 32.792,257 32.792,258 32.792,259 32.792,260 32.792,261 28.563,262 41.723,263 11.478,264 33.403,265 5.536,266 3.591,267 1.883,268 1.084,269 0.845,270 0.741,271 4.86,276 2633,277 8.307,279 261.211,280 613.65,285 2.898,286 125.056,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 144,297 1293,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.244,308 3.925,309 6.674,310 4.092,311 3.12,312 3.466,313 2.028,314 10.49,315 3.026,316 4.108,317 3.858,318 6.47,319 3.939,320 2.969,321 3.393,322 2.011,323 9.85,324 2.878,325 4.018,326 3.754,327 6.171,328 3.863,329 2.888,330 3.39,331 1.976,332 9.025,333 2.809,334 3.973,335 3.661,336 6.105,337 3.795,338 2.812,339 3.266,340 1.938,341 8.849,342 2.754,343 3.882,344 3.64,345 6.018,346 3.65,347 2.658,348 3.128,349 1.929,350 8.341,351 2.633,352 3.847,353 3.54,354 5.894,355 3.573,356 2.575,357 3.031,358 1.889,359 7.946,360 2.565,361 3.72,362 3.511,363 5.379,364 3.431,365 2.435,366 2.888,367 1.886,368 6.879,369 2.422,370 3.668,371 2.976,372 5.316,373 3.374,374 2.377,375 2.814,376 0.713,377 6.85,378 2.362,379 3.533,380 2.802,381 5.202,382 3.221,383 2.194,384 2.695,385 0.626,386 6.06,387 2.237,388 3.412,389 2.576,390 5.182,391 3.155,392 2.156,393 2.498,394 0.553,395 5.819,396 2.14,397 3.196,398 2.559,399 4.969,400 3.093,401 2.103,402 2.225,403 0.315,404 5.478,405 2.081,406 3.166,407 2.532,408 4.701,409 2.97,410 1.981,411 2.191,412 0.263,413 5.145,414 1.952,415 3.111,416 2.361,417 4.658,418 2.913,419 1.928,420 2.148,421 0.164,422 5.054,423 1.868,424 2.887,425 2.29,426 4.502,427 2.556,428 1.58,429 2.031,430 0.103,431 4.106,432 1.53,433 30.033,434 0.462,435 2.016,436 0.031,437 64.5,438 0.992,439 24,440 0.369,441 40.5,442 0.623,443 99.645,444 1.533,445 77.367,446 0.573,447 81.929,448 1.26,449 12.59,450 0.194,451 18.066,452 0.278,453 0.26,455 0.373,459 0.746,460 1.542,461 0.917,462 1.32,463 0.638,464 1.163,465 0.642,466 1.265,467 0.889,468 1.138,469 0.55,470 1.064,471 0.945,472 1.113,473 1.041,474 1.13,475 0.988,476 1.105,477 1.35,478 1.107,479 1.043,480 0.993,481 1.376,482 0.958,483 1.264,484 0.985,485 1.083,486 0.91,487 1.248,488 0.946,489 1.03,490 1.038,491 1.017,492 1.054,493 1.036,494 1.032,495 1.19,496 1.041,497 1.028,498 1.012,499 1.23,500 0.995,501 1.077,502 1.023,503 1.047,504 1.024,505 1.085,506 1.031,507 15,508 0.872,509 8.444,510 5.181,511 4.472,512 3.038,513 2.456,514 1.813,515 1.401,516 1.039,517 88826,518 240816,519 1.885,520 51.9,521 13,522 29,525 8,526 4,527 16,529 1.914,530 1.703,531 4.215,532 4.007,535 208.035,536 1.541,537 3.486,538 5.193,539 5.993,540 6.232,541 6.336,542 3.593,543 5.765,544 5.999,545 4.471,546 9299.72,547 10.778,548 236098,552 955.37,553 1.579,554 5.907,555 0.224,556 0.008,557 0.092,558 0.051,559 0.04,560 0.025,561 0.019,562 0.014,563 0.011,564 0.008,565 0.491,566 0.17,567 0.5,568 1.632,569 422.285,570 -0.062,571 -0.138,572 0.014,573 -0.041,574 -0.059,575 -0.003,576 0.132,577 -0.045,578 0.067,579 -0.012,580 0.064,581 0.009,582 0.029,583 0.008,584 -0.05,585 -0.082,586 -0.049,587 -0.085,588 -0.138,589 -0.085,590 -0.01,591 -0.017,592 -0.12,593 0.01,594 0.024,595 0.069,596 -0.033,597 0.053,598 0.054,599 0.008,600 0.003,601 0.026,602 -0.016,603 -0.035,604 0.002,605 -0.03,606 -0.059,607 -0.044,608 -0.015,609 -0.012,610 -0.031,611 -0.005,612 0.012,613 -0.02,614 -0.039,615 -0.031,616 0.012,617 -0.044,618 2.833,619 7.119,620 0.262,621 104.369,622 1.004,623 1.14,624 -0.154,625 0.024,626 0.616,627 4.22,628 4.533,629 4.736,630 4.905,631 5.03,632 5.056,633 5.124,634 5.187,635 5.226,636 5.193,637 12.091,638 0.583,639 907.25,640 4.22,641 5.765,642 6.592,643 7.455,644 8.303,645 9.171,646 10.028,647 10.899,648 11.762,649 12.634,650 5.9,651 1,657 7,662 10,666 2,667 12,676 135,677 20,678 2,679 67,680 137,681 47,682 12,683 2,684 10,686 3,687 3,690 5,694 3,697 16,698 20,699 27,700 2,701 8,704 8,708 8,713 70,714 18,715 8,716 18,719 8,721 1,722 10,724 1,729 1,731 1,732 2,739 1,740 3,741 3,743 1,747 1,751 1,753 3,756 8,759 65,760 2,762 1,763 9,764 3,765 1,767 10,768 3,772 7.4,773 1,775 8,777 1,778 38.167,779 25.383,780 14.639,781 8.118,783 1.089,784 1.134,785 0.885,786 22.388,787 9.204,788 4.407,789 4.836,790 5.156,791 5.448,792 5.768,793 5.658,794 5.821,795 6.044,796 6.197,797 6.239,798 0.923,799 102,800 24.803,801 10.876,802 8.062,803 45.468,804 36.736,805 2.562,806 166.5,809 729.808,810 235.441,811 129.2,813 254.843,816 235.441,817 984.651,818 129.2,819 71.802,820 151.582,821 137.446,822 241.283,823 17.371,825 729.808,827 729.808,828 364.641,829 254.843,831 541.471,832 400.497,833 42.683,835 195.708,836 168.933,839 729.808,840 384.042,841 235.441,844 729.808,845 68.877,846 175.937,847 54.032,848 320.637,849 729.808,850 384.042,851 235.441,852 0.582,853 0.334,854 0.167,855 0.089,856 32,857 23,858 0.182,859 25,861 1,862 6.189,863 739.361,865 17,866 379.454,870 54.786,871 26.562,872 16.685,874 384.042,875 18.019,879 1.495,880 162.51,881 1349.29,882 81,885 107.269,889 -4.867,891 135.479,892 153.952,893 0.218,894 0.493,895 0.734,896 0.847,897 0.881,898 0.895,899 5.673,900 2.435,901 6.597,902 7.946,903 5.22,904 5.525,905 4.065,906 7.399,907 5.184,908 6.838,909 2.377,910 8.17,911 6.879,912 4.934,913 5.308,914 3.637,915 8.326,916 4.882,917 8.116,918 2.194,919 9.843,920 6.85,921 6.817,922 7.415,923 5.221,924 11.414,925 6.732,926 9.419,927 2.156,928 11.573,929 6.06,930 7.307,931 7.917,932 5.43,933 13.135,934 7.196,935 10.751,936 2.103,937 13.34,938 5.819,939 8.7,940 9.574,941 6.577,942 15.771,943 8.559,944 12.1,945 1.981,946 15.132,947 5.478,948 9.528,949 10.374,950 7.077,951 17.829,952 9.351,953 13.464,954 1.928,955 16.942,956 5.145,957 10.743,958 11.864,959 8.049,960 20.303,961 10.536,962 3.215,963 1.58,964 18.767,965 5.054,966 11.726,967 12.807,968 8.709,969 22.52,970 11.48,971 3.12,972 11.19,973 20.603,974 4.106,975 12.876,976 14.221,977 9.611,978 24.931,979 12.597,980 2.969,981 10.49,982 22.448,983 3.54,984 13.933,985 15.245,986 10.364,987 27.228,988 13.614,989 2.888,990 9.85,991 24.3,992 3.466,993 15.062,994 16.614,995 11.242,996 29.617,997 14.707,998 2.812,999 9.025,1000 26.159,1001 3.393,1002 16.155,1003 17.691,1004 12.053,1005 31.956,1006 15.76,1007 2.658,1008 8.849,1009 28.024,1010 3.39,1011 17.28,1012 19.03,1013 12.928,1014 34.339,1015 16.848,1016 2.575,1017 8.341,1018 29.893,1019 3.266,1020 18.392,1021 20.145,1022 13.774,1023 36.701,1024 17.921,1025 88644,1026 146166,1027 41.21,1028 83.194,1029 100.863,1030 106.424,1031 105.659,1032 98.876,1033 98.829,1034 115.431,1035 37.878,1036 280.198,1037 97.205,1038 5.334,1039 6.01,1040 6.635,1041 5.239,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 52.116,1048 1.505,1049 1.588,1050 1.577,1051 1.476,1052 1.475,1053 1.723,1054 0.565,1055 4.182,1056 1.451,1057 4.028,1058 4.071,1059 3.947,1060 3.914,1061 7.447,1062 3.912,1063 3.936,1064 3.973,1065 3.862,1066 3.859,1067 7.434,1068 3.852,1069 3.866,1070 3.906,1071 3.785,1072 3.738,1073 7.43,1074 3.745,1075 3.859,1076 3.903,1077 3.779,1078 3.698,1079 7.429,1080 3.71,1081 3.837,1082 3.887,1083 3.754,1084 3.668,1085 7.426,1086 3.677,1087 3.734,1088 3.784,1089 3.644,1090 3.575,1091 7.424,1092 3.577,1093 3.714,1094 3.768,1095 3.604,1096 3.536,1097 7.423,1098 3.549,1099 3.668,1100 3.718,1101 3.549,1102 3.513,1103 7.421,1104 3.513,1105 0.065,1106 0.06,1107 0.102,1108 0.062,1109 0.048,1110 4.336,1111 0.053,1112 4.01,1113 0.037,1114 6.833,1115 0.167,1116 4.179,1117 0.046,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.046,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.036,1133 1.305,1134 2.041,1135 1.804,1136 1.756,1137 2.014,1138 1.99,1139 1.262,1140 1.99,1141 1.796,1142 1.745,1143 1.991,1144 1.981,1145 1.258,1146 1.989,1147 1.707,1148 1.658,1149 1.921,1150 1.902,1151 1.215,1152 1.904,1153 1.698,1154 1.649,1155 1.877,1156 1.889,1157 1.2,1158 1.896,1159 1.645,1160 1.597,1161 1.858,1162 1.837,1163 1.051,1164 1.844,1165 1.618,1166 1.574,1167 1.846,1168 1.832,1169 1.037,1170 1.822,1171 4.905,1173 6.221,1174 2.398,1175 7.704,1176 4.595,1177 9.263,1178 6.605,1179 10.866,1180 12.807,1183 11.526,1184 11.595,1185 0.806,1186 8.185,1187 4.953,1189 -9.16,1190 3.872,1192 78.65,1193 208.035,1194 470.577,1195 701.102,1196 809.066,1197 841.331,1198 855.331,1199 495.509,1200 8.115,1201 263.87,1202 263.87,1203 17,1204 13.178,1205 4.392,1206 3.907,1207 194.457,1208 480,1209 429,1210 0.19,1211 492.764,1212 901.72,1213 1194.1,1214 40530,1216 48.543,1217 0.747,1218 0.6,1219 48.543,1220 39.029,1221 30.656,1222 0.458,1223 0.332,1224 21.942,1225 29.346,1226 21.188,1227 17.73,1228 30.656,1229 22.276,1230 27.928,1231 0.304,1232 0.192,1233 27.928,1234 17.663,1235 21.919,1236 0.194,1237 0.104,1238 21.919,1239 11.74,1240 16.352,1241 0.122,1242 0.058,1243 16.352,1244 7.837,1245 11.929,1246 0.078,1247 0.032,1248 11.929,1249 4.911,1250 0.305,1251 193.83,1252 0.156,1253 52.582,1254 0.503,1255 318,1256 1008.33,1257 356.599,1258 948.852,1259 1223.5,1260 874,1261 364,1262 830.106,1263 402.498,1264 833.754,1265 1203.22,1266 778,1267 7.235} {0 CHEMBL2181024,1 1.537,2 21.972,3 3.666,4 13.436,5 266.959,6 6.716,7 0.162,8 5.057,9 5.191,10 4.492,11 4.491,12 6.146,13 4.463,14 5.644,15 5.844,16 4.871,17 4.889,18 6.713,19 4.833,20 5.975,21 6.189,22 5,23 5.103,24 7.058,25 5.026,26 6.157,27 6.397,28 5.126,29 5.167,30 7.295,31 5.107,32 6.192,33 6.406,34 5.229,35 5.229,36 7.53,37 5.184,38 6.274,39 6.5,40 5.263,41 5.363,42 7.421,43 5.287,44 6.401,45 6.633,46 5.327,47 5.448,48 7.576,49 5.365,50 6.457,51 6.696,52 5.305,53 5.479,54 7.644,55 5.374,56 0.132,57 2.078,58 34.718,59 13.634,60 35.926,61 19.31,62 1.124,63 3.219,64 65.711,65 21.885,66 138.063,67 32.61,68 1.693,69 4.066,70 93.715,71 28.899,72 224.1,73 42.698,74 1.892,75 4.461,76 114.502,77 30.793,78 337.869,79 47.682,80 3.399,81 4.736,82 120.564,83 30.791,84 558.988,85 47.148,86 2.337,87 5.265,88 127.356,89 38.25,90 367.662,91 56.792,92 2.579,93 5.734,94 145.224,95 42.804,96 496.081,97 63.941,98 3.445,99 6.005,100 154.718,101 44.695,102 581.395,103 67.482,104 537,105 103,106 0.208,107 0.466,108 0.698,109 0.819,110 0.848,111 0.86,112 4.292,113 0.997,114 -1.24,115 -1.33,116 -1.4,117 34.7,118 8,119 8,120 2,122 3,123 1,125 8,127 1,135 10,136 2,145 8,146 1,148 1,149 1,150 1,154 21,156 5,157 9,159 1,160 6,162 7,163 23,165 1,166 5,167 13,169 6,170 2,171 9,174 11,176 1,178 24,181 1,182 1,183 10,186 4,189 13,190 22,191 1,192 5,193 1,194 11,197 9,200 3,201 21,203 1,204 8,205 2,206 9,207 1,208 17,211 2,212 29,214 1,215 3,216 1,217 10,220 23,223 9,224 25,226 6,227 2,228 15,230 1,231 16,233 2,236 21,239 5,240 2,241 15,242 1,243 20,245 4,246 16710,247 45.749,248 45.749,249 45.749,250 45.749,251 45.749,252 43.023,253 49.744,254 26.789,255 46.422,256 36.3,257 36.3,258 36.3,259 36.3,260 36.3,261 31.802,262 50.59,263 12.587,264 37.165,265 5.691,266 3.788,267 2.078,268 1.184,269 0.969,270 0.875,271 4.959,276 3213,277 8.944,279 294.102,280 689.48,285 3.142,286 140.165,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 160,297 1582,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.27,308 3.946,309 6.713,310 4.123,311 3.162,312 3.467,313 2.19,314 10.682,315 3.048,316 4.152,317 3.858,318 6.47,319 4.058,320 3.109,321 3.418,322 2.028,323 10.151,324 2.923,325 4.108,326 3.765,327 6.446,328 3.94,329 2.969,330 3.39,331 2.009,332 9.85,333 2.878,334 4.022,335 3.753,336 6.231,337 3.871,338 2.897,339 3.266,340 1.976,341 9.181,342 2.817,343 3.975,344 3.647,345 6.111,346 3.8,347 2.818,348 3.208,349 1.938,350 8.893,351 2.759,352 3.882,353 3.637,354 6.047,355 3.682,356 2.698,357 3.127,358 1.928,359 8.632,360 2.652,361 3.871,362 3.54,363 5.894,364 3.573,365 2.575,366 3.044,367 1.889,368 7.947,369 2.565,370 3.725,371 3.511,372 5.379,373 3.431,374 2.435,375 2.889,376 1.886,377 6.879,378 2.422,379 3.671,380 3.17,381 5.317,382 3.374,383 2.377,384 2.818,385 0.713,386 6.851,387 2.362,388 3.534,389 2.975,390 5.249,391 3.222,392 2.196,393 2.695,394 0.635,395 6.142,396 2.238,397 3.471,398 2.802,399 5.193,400 3.171,401 2.177,402 2.587,403 0.553,404 5.924,405 2.149,406 3.383,407 2.58,408 4.974,409 3.094,410 2.104,411 2.475,412 0.365,413 5.691,414 2.082,415 3.194,416 2.559,417 4.843,418 3.058,419 2.071,420 2.224,421 0.315,422 5.303,423 2.016,424 3.146,425 2.541,426 4.701,427 2.95,428 1.967,429 2.168,430 0.263,431 5.144,432 1.925,433 33.2,434 0.461,435 2.438,436 0.034,437 70.5,438 0.979,439 25.5,440 0.354,441 45,442 0.625,443 117.833,444 1.637,445 86.2,446 0.575,447 93.47,448 1.298,449 13.645,450 0.19,451 20.089,452 0.279,453 0.278,454 0.015,455 0.352,459 0.737,460 1.589,461 0.909,462 1.367,463 0.618,464 1.19,465 0.616,466 1.24,467 0.851,468 1.119,469 0.517,470 1.038,471 1.048,472 1.136,473 1.102,474 1.145,475 1.009,476 1.135,477 1.255,478 1.106,479 0.963,480 0.969,481 1.299,482 0.909,483 1.353,484 0.977,485 1.14,486 0.902,487 1.377,488 0.957,489 1.094,490 1.039,491 1.04,492 1.044,493 1.1,494 1.03,495 1.17,496 1.091,497 1.03,498 1.047,499 1.216,500 1.017,501 1.081,502 1.038,503 1.107,504 1.05,505 1.133,506 1.079,507 18.5,508 0.988,509 8.889,510 6.181,511 5.112,512 3.427,513 2.987,514 2.063,515 1.549,516 1.299,517 117151,518 319286,519 1.87,520 52,521 13,522 29,525 7,526 4,527 25,529 1.935,530 1.684,531 4.349,532 3.163,535 230.619,536 1.537,537 3.441,538 5.151,539 6.045,540 6.26,541 6.353,542 3.794,543 5.788,544 6.145,545 4.604,546 11768.3,547 11.072,548 321309,552 1084.32,553 1.667,554 6.046,555 0.25,556 0.007,557 0.086,558 0.056,559 0.041,560 0.025,561 0.021,562 0.013,563 0.011,564 0.009,565 0.519,566 0.17,567 0.5,568 1.851,569 480.591,570 -0.051,571 -0.18,572 0.02,573 -0.074,574 -0.053,575 -0.02,576 0.186,577 -0.026,578 0.11,579 0.002,580 0.1,581 0.032,582 -0.026,583 -0.009,584 -0.103,585 -0.092,586 -0.087,587 -0.115,588 -0.104,589 -0.092,590 0.063,591 0.001,592 -0.085,593 0.06,594 0.013,595 0.098,596 -0.071,597 0.055,598 0.048,599 -0.012,600 -0.035,601 0.035,602 -0.034,603 -0.018,604 -0.031,605 -0.025,606 -0.067,607 -0.071,608 -0.02,609 -0.031,610 -0.029,611 -0.018,612 0.008,613 -0.018,614 -0.096,615 -0.056,616 -0.003,617 -0.093,618 2.894,619 7.276,620 0.236,621 127.088,622 1.004,623 1.14,624 0.01,626 0.614,627 4.317,628 4.644,629 4.812,630 5.011,631 5.124,632 5.153,633 5.242,634 5.273,635 5.313,636 5.308,637 13.061,638 0.581,639 1007.38,640 4.317,641 5.872,642 6.691,643 7.564,644 8.404,645 9.279,646 10.13,647 11.006,648 11.864,649 12.741,650 5.3,657 8,662 10,666 2,667 12,676 150,677 21,678 2,679 74,680 152,681 52,682 12,683 2,684 10,686 3,687 3,690 8,694 3,697 16,698 21,699 31,700 3,701 9,704 9,708 9,713 78,714 20,715 7,716 20,719 8,721 1,722 12,724 1,729 1,731 1,732 2,739 1,740 3,741 3,743 1,750 1,751 1,753 3,756 11,759 72,760 1,762 1,763 9,764 4,765 2,767 10,768 3,769 1,772 8,773 1,775 9,777 2,778 42.75,779 29.133,780 16.014,781 9.028,783 1.04,784 1.126,785 0.877,786 24.814,787 9.322,788 4.5,789 4.934,790 5.218,791 5.534,792 5.834,793 5.722,794 5.898,795 6.095,796 6.239,797 6.3,798 1,799 111,800 27.518,801 12.06,802 8.061,803 50.303,804 40.423,805 2.561,806 184.417,809 835.748,810 268.679,811 114.313,813 290.987,816 268.679,817 1126.74,818 114.313,819 98.277,820 136.695,821 137.446,822 266.428,823 28.371,824 6.763,825 835.748,827 835.748,828 382.993,829 290.987,831 541.471,832 542.582,833 42.683,835 207.297,836 175.696,839 835.748,840 405.301,841 268.679,844 835.748,845 75.639,846 202.413,847 72.043,848 323.885,849 835.748,850 405.301,851 268.679,852 0.585,853 0.323,854 0.167,855 0.089,856 36,857 26,858 0.184,859 28,861 1,862 6.562,863 850.594,865 17,866 427.48,870 61.391,871 29.102,872 19.806,874 405.301,875 17.899,879 1.446,880 147.624,881 1509.73,882 89,885 121.762,889 -6.062,891 150.668,892 171.031,893 0.213,894 0.476,895 0.713,896 0.836,897 0.866,898 0.879,899 5.778,900 2.575,901 6.715,902 8.632,903 5.333,904 5.624,905 4.201,906 7.529,907 5.286,908 6.955,909 2.435,910 8.294,911 7.947,912 5.13,913 5.472,914 3.76,915 8.545,916 5.059,917 8.244,918 2.377,919 9.974,920 6.879,921 6.961,922 7.519,923 5.38,924 11.579,925 6.853,926 9.555,927 2.196,928 11.711,929 6.851,930 7.507,931 8.06,932 5.574,933 13.359,934 7.363,935 10.894,936 2.177,937 13.484,938 6.142,939 8.88,940 9.677,941 6.749,942 15.965,943 8.699,944 12.249,945 2.104,946 15.281,947 5.924,948 9.743,949 10.502,950 7.231,951 18.059,952 9.519,953 13.617,954 2.071,955 17.096,956 5.691,957 10.954,958 11.963,959 8.224,960 20.515,961 10.692,962 3.215,963 1.967,964 18.925,965 5.303,966 11.96,967 12.924,968 8.866,969 22.75,970 11.652,971 3.162,972 11.19,973 20.765,974 5.144,975 13.113,976 14.315,977 9.779,978 25.151,979 12.765,980 3.109,981 10.682,982 22.612,983 3.54,984 14.185,985 15.351,986 10.515,987 27.454,988 13.791,989 2.969,990 10.151,991 24.467,992 3.467,993 15.319,994 16.703,995 11.396,996 29.835,997 14.883,998 2.897,999 9.85,1000 26.328,1001 3.418,1002 16.422,1003 17.788,1004 12.191,1005 32.174,1006 15.941,1007 2.818,1008 9.181,1009 28.193,1010 3.39,1011 17.553,1012 19.114,1013 13.063,1014 34.55,1015 17.029,1016 2.698,1017 8.893,1018 30.063,1019 3.266,1020 18.673,1021 20.235,1022 13.896,1023 36.909,1024 18.103,1025 117090,1026 193549,1027 45.082,1028 92.149,1029 111.955,1030 118.308,1031 116.359,1032 109.683,1033 109.606,1034 127.278,1035 42.936,1036 314.178,1037 107.353,1038 5.334,1039 6.01,1040 6.635,1041 5.251,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 60.028,1048 1.513,1049 1.599,1050 1.572,1051 1.482,1052 1.481,1053 1.72,1054 0.58,1055 4.246,1056 1.451,1057 4.034,1058 4.078,1059 3.953,1060 3.917,1061 7.45,1062 3.916,1063 3.936,1064 3.974,1065 3.863,1066 3.859,1067 7.434,1068 3.852,1069 3.872,1070 3.911,1071 3.795,1072 3.742,1073 7.433,1074 3.749,1075 3.864,1076 3.906,1077 3.783,1078 3.702,1079 7.43,1080 3.715,1081 3.839,1082 3.888,1083 3.756,1084 3.671,1085 7.428,1086 3.68,1087 3.761,1088 3.804,1089 3.669,1090 3.588,1091 7.426,1092 3.595,1093 3.724,1094 3.773,1095 3.634,1096 3.543,1097 7.424,1098 3.553,1099 3.692,1100 3.745,1101 3.568,1102 3.536,1103 7.422,1104 3.536,1105 0.059,1106 0.054,1107 0.092,1108 0.056,1109 0.043,1110 4.336,1111 0.048,1112 4.01,1113 0.033,1114 6.833,1115 0.151,1116 4.179,1117 0.042,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.046,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.807,1136 1.76,1137 2.014,1138 1.998,1139 1.268,1140 1.994,1141 1.799,1142 1.749,1143 1.991,1144 1.982,1145 1.262,1146 1.989,1147 1.717,1148 1.67,1149 1.944,1150 1.917,1151 1.215,1152 1.921,1153 1.699,1154 1.653,1155 1.919,1156 1.9,1157 1.21,1158 1.897,1159 1.683,1160 1.63,1161 1.877,1162 1.868,1163 1.117,1164 1.89,1165 1.645,1166 1.597,1167 1.858,1168 1.836,1169 1.051,1170 1.844,1171 5.004,1173 6.33,1174 2.398,1175 7.815,1176 4.595,1177 9.374,1178 6.605,1179 10.976,1180 17.598,1183 5.482,1184 11.746,1185 0.469,1186 10.762,1187 10.33,1189 -9.953,1190 3.798,1191 -0.862,1192 87.187,1193 230.619,1194 516.154,1195 772.619,1196 906.735,1197 938.999,1198 952.999,1199 605.533,1200 8.282,1201 276.18,1202 276.18,1203 17,1204 13.283,1205 4.459,1206 4,1207 231.273,1208 574,1209 524,1210 0.188,1211 545.79,1212 1003.16,1213 1323.49,1214 50699,1216 54.034,1217 0.75,1218 0.608,1219 54.034,1220 43.768,1221 33.734,1222 0.456,1223 0.332,1224 24.211,1225 32.196,1226 23.256,1227 19.519,1228 33.734,1229 24.594,1230 31.838,1231 0.309,1232 0.197,1233 31.838,1234 20.262,1235 23.205,1236 0.19,1237 0.101,1238 23.205,1239 12.341,1240 18.344,1241 0.123,1242 0.057,1243 18.344,1244 8.484,1245 13.189,1246 0.079,1247 0.032,1248 13.189,1249 5.261,1250 0.303,1251 213.758,1252 0.149,1253 56.882,1254 0.498,1255 354,1256 1146.82,1257 401.044,1258 1072.97,1259 1383.96,1260 988,1261 402,1262 945.353,1263 446.481,1264 946.946,1265 1364.32,1266 881,1267 8.717} {0 CHEMBL222559,1 1.717,2 15.952,3 7.498,4 56.213,5 155.136,6 8.036,7 0.4,8 4.405,9 4.501,10 4.116,11 3.971,12 5.528,13 3.94,14 4.982,15 5.127,16 4.505,17 4.363,18 6.513,19 4.323,20 5.275,21 5.458,22 4.578,23 4.549,24 6.449,25 4.484,26 5.419,27 5.615,28 4.635,29 4.598,30 6.718,31 4.532,32 5.47,33 5.668,34 4.556,35 4.611,36 6.674,37 4.538,38 5.455,39 5.663,40 4.585,41 4.598,42 6.56,43 4.513,44 5.437,45 5.648,46 4.598,47 4.578,48 6.91,49 4.488,50 5.367,51 5.585,52 4.428,53 4.547,54 6.452,55 4.432,56 0.197,57 1.243,58 16.661,59 7.995,60 43.512,61 8.916,62 1.139,63 2.365,64 31.127,65 13.403,66 198.681,67 15.857,68 0.865,69 2.44,70 44.091,71 17.828,72 119.835,73 21.304,74 1.388,75 2.783,76 55.777,77 20.204,78 200.662,79 23.851,80 1.367,81 2.579,82 56.715,83 20.433,84 219.578,85 24.3,86 1.325,87 2.577,88 61.536,89 20.853,90 214.803,91 24.956,92 2.046,93 2.62,94 57.268,95 19.976,96 341.959,97 25.217,98 1.073,99 2.432,100 55.548,101 19.837,102 169.399,103 24.415,104 92,105 66,106 0.264,107 0.577,108 0.731,109 0.846,110 0.883,111 0.883,112 3.765,113 1.014,114 -4.88,115 -4.78,116 -4.49,117 41.3,118 2,119 6,120 1,127 1,129 1,132 1,134 1,135 11,136 3,137 1,138 1,140 1,144 1,154 20,156 1,157 8,160 3,162 3,163 25,166 2,167 7,169 1,171 4,174 21,177 1,178 14,181 1,183 8,186 17,190 18,194 8,197 19,201 12,206 4,208 21,212 11,215 2,216 1,217 4,220 27,224 6,228 2,231 25,235 4,236 4,239 2,241 3,243 23,246 3928,247 27.427,248 27.427,249 27.427,250 27.427,251 27.427,252 24.6,253 28.74,254 15.813,255 27.934,256 22.079,257 22.079,258 22.079,259 22.079,260 22.079,261 17.765,262 33.556,263 7.234,264 23.021,265 4.512,266 2.471,267 1.471,268 0.724,269 0.484,270 0.484,271 4.449,275 1,276 1412,277 5.292,280 658.284,285 2.576,286 82.059,288 0.75,289 0.67,290 0.67,291 0.9,292 0.5,293 0.67,294 0.5,295 0.66,296 94.5,297 670,298 4.858,299 4.686,300 7.31,301 4.409,302 3.437,303 4.708,304 3.825,305 12.97,306 3.345,307 4.578,308 4.459,309 7.27,310 4.315,311 3.406,312 3.948,313 1.277,314 12.513,315 3.088,316 4.419,317 3.907,318 7.108,319 4.148,320 3.291,321 3.755,322 1.216,323 11.65,324 3.016,325 4.234,326 3.438,327 6.788,328 4.051,329 3.059,330 3.623,331 0.68,332 11.104,333 2.831,334 3.969,335 3.145,336 5.848,337 3.57,338 2.575,339 3.45,341 8.034,342 2.558,343 3.873,344 2.742,345 5.342,346 3.488,347 2.491,348 3.185,350 6.952,351 2.483,352 3.499,353 2.675,354 5.328,355 3.137,356 2.161,357 2.798,359 6.596,360 2.103,361 3.371,362 2.453,363 4.956,364 2.913,365 1.963,366 2.611,368 5.496,369 1.924,370 3.232,371 2.191,372 4.872,373 2.902,374 1.879,375 2.308,377 5.321,378 1.815,379 2.921,380 1.703,381 4.521,382 2.512,383 1.513,384 2.089,386 4.185,387 1.512,388 2.782,389 1.594,390 4.301,391 2.412,392 1.432,393 1.867,395 3.606,396 1.399,397 2.728,398 1.498,399 3.786,400 2.259,401 1.311,402 1.798,404 3.172,405 1.216,406 2.5,407 1.196,408 3.724,409 2.156,410 1.16,411 1.5,413 2.522,414 1.154,415 2.5,416 1.166,417 3.511,418 2.094,419 1.094,420 1.5,422 2.275,423 1.094,424 2.455,425 1,426 3.475,427 2,428 1,429 1.438,431 2.136,432 1,433 19.657,434 0.468,435 1.387,436 0.033,437 50,438 1.19,439 24.5,440 0.583,441 25.5,442 0.607,443 46.414,444 1.105,445 47.543,446 0.634,447 48.794,448 1.162,449 9.389,450 0.224,451 10.482,452 0.25,453 0.162,454 0.093,455 0.229,457 3,459 0.573,460 1.032,461 0.773,462 1.188,463 0.638,464 0.986,465 0.424,466 0.874,467 0.747,468 1.067,469 0.407,470 1.014,471 0.755,472 0.88,473 0.855,474 1.008,475 0.634,476 1.001,477 0.891,478 0.885,479 1.011,480 1.078,481 0.82,482 1.034,483 1.061,484 0.76,485 0.99,486 0.94,487 1.014,488 1.024,489 0.886,490 0.734,491 0.951,492 0.995,493 0.849,494 0.988,495 0.59,496 0.673,497 0.86,498 0.902,499 0.593,500 0.974,501 0.754,502 0.796,503 1.023,504 1.095,505 0.782,506 1.095,507 12,508 0.376,509 5.778,510 4.125,511 3.191,512 1.944,513 1.486,514 0.917,515 0.777,516 0.479,517 29253,518 96044,519 1.976,520 44,521 13,522 11,524 1,525 2,526 2,527 4,529 1.812,530 1.806,531 3.902,532 0.149,535 128.752,536 1.717,537 3.758,538 4.758,539 5.505,540 5.745,541 5.745,542 3.387,543 4.737,544 5.359,545 4.124,546 3550.79,547 9.48,548 64009.3,552 467.161,553 1.724,554 5.283,555 0.267,556 0.008,557 0.088,558 0.058,559 0.044,560 0.029,561 0.023,562 0.013,563 0.014,564 0.008,565 0.55,566 0.17,567 0.75,568 1.005,569 241.512,570 0.006,571 -0.028,572 0.133,573 -0.016,574 -0.099,575 0.038,576 0.384,577 0.157,578 0.131,579 -0.024,580 0.36,581 -0.022,582 -0.014,583 -0.061,584 0.047,585 -0.015,586 0.016,587 -0.003,588 0.024,589 0.013,590 -0.021,591 -0.071,592 0.044,593 -0.046,594 -0.156,595 -0.028,596 -0.085,597 -0.011,598 -0.12,599 -0.051,600 -0.084,601 -0.056,602 0.031,603 -0.016,604 -0.099,605 0.01,606 0.276,607 0.131,608 0.087,609 0.05,610 0.28,611 0.015,612 -0.048,613 -0.036,614 -0.043,615 -0.082,616 -0.063,617 -0.068,618 5.898,619 6.579,620 0.571,621 58.98,622 1.02,623 1.134,624 3.645,625 13.288,626 0.663,627 3.829,628 4.205,629 4.431,630 4.682,631 4.868,632 4.984,633 5.13,634 5.1,635 5.215,636 5.226,637 9.162,638 0.639,639 602.73,640 3.829,641 5.407,642 6.256,643 7.163,644 8.03,645 8.941,646 9.816,647 10.728,648 11.609,649 12.521,650 2.7,655 1,660 1,662 12,663 1,666 5,667 18,676 75,677 22,678 2,679 45,680 78,681 31,682 17,683 3,684 9,685 3,686 4,687 4,690 3,694 1,695 1,696 1,697 6,698 20,699 11,700 2,701 4,703 1,704 3,708 3,712 3,713 33,714 10,715 2,716 11,717 1,719 2,721 1,722 5,728 1,732 4,738 1,746 1,751 1,752 1,753 4,755 1,756 2,758 3,759 42,761 1,762 1,763 6,764 1,765 1,767 1,769 2,771 3,772 6.7,774 1,775 3,776 1,778 23.25,779 13.745,780 9.153,781 4.774,783 3.263,784 1.395,785 0.949,786 9.698,787 11.525,788 4.078,789 4.677,790 5.137,791 5.639,792 6.085,793 6.274,794 6.608,795 6.672,796 6.998,797 7.219,798 0.909,799 71,800 16.708,801 8.267,802 8.24,803 29.042,804 24.369,805 2.74,806 115.083,809 364.904,810 182.485,811 33.191,813 123.141,814 44.88,815 5.807,816 176.678,817 488.045,818 78.071,819 17.65,820 15.207,821 110.046,822 173.236,823 70.447,824 1.122,825 353.133,826 7.76,827 364.904,828 209.868,829 168.021,830 5.807,831 317.82,832 204.106,833 11,835 49.665,836 127.013,837 38.998,839 409.785,840 156.332,841 182.485,843 5.807,844 372.664,845 37.981,846 130.937,847 16.405,848 184.807,849 364.904,850 201.212,851 182.485,852 0.591,853 0.341,854 0.182,855 0.095,856 30,857 15,858 0.141,859 11,861 1,862 4.855,863 425.331,865 24,866 215.722,869 1,870 31.595,871 12.892,872 7.553,874 201.212,875 18.021,876 3.471,879 0.149,880 59.088,881 748.601,882 58,884 -4.304,885 39.255,889 -0.514,891 76.476,892 85.041,893 0.276,894 0.603,895 0.764,896 0.884,897 0.922,898 0.922,899 5.359,900 1.963,901 6.323,902 6.596,903 4.89,904 5.366,905 3.332,906 7.233,907 4.811,908 6.612,909 1.879,910 7.96,911 5.496,912 4.844,913 5.44,914 3.903,915 8.658,916 4.637,917 7.976,918 1.513,919 9.716,920 5.321,921 6.671,922 7.612,923 5.464,924 11.658,925 6.478,926 9.378,927 1.432,928 11.545,929 4.185,930 7.397,931 8.455,932 6.69,933 13.828,934 7.074,935 10.813,936 1.311,937 13.419,938 3.606,939 8.798,940 10.199,941 8.063,942 16.474,943 8.464,944 12.27,945 1.16,946 15.322,947 3.172,948 9.821,949 11.385,950 9.388,951 18.88,952 9.38,953 13.746,954 1.094,955 17.244,956 2.522,957 11.088,958 12.978,959 10.735,960 21.434,961 10.613,962 3.437,963 1,964 19.18,965 2.275,966 12.226,967 14.332,968 12.074,969 23.917,970 11.667,971 3.406,972 12.97,973 21.125,974 2.136,975 13.451,976 15.872,977 13.417,978 26.449,979 12.847,980 3.291,981 12.513,982 23.077,983 4.708,984 14.633,985 17.312,986 14.758,987 28.96,988 13.962,989 3.059,990 11.65,991 25.034,992 3.948,993 15.847,994 18.839,995 16.1,996 31.488,997 15.127,998 2.575,999 11.104,1000 26.995,1001 3.755,1002 17.048,1003 20.326,1004 17.441,1005 34.011,1006 16.271,1007 2.491,1008 8.034,1009 28.96,1010 3.623,1011 18.261,1012 21.852,1013 18.783,1014 36.541,1015 17.437,1016 2.161,1017 6.952,1018 30.926,1019 3.45,1020 19.47,1021 23.364,1022 20.124,1023 39.071,1024 18.596,1025 28392,1026 52204,1027 28.602,1028 49.688,1029 68.393,1030 68.968,1031 70.973,1032 67.933,1033 67.617,1034 85.73,1035 13.998,1036 205.628,1037 65.051,1038 5.818,1039 6.686,1040 7.112,1041 5.485,1042 5.437,1043 7.708,1044 5.335,1045 20.369,1046 5.345,1047 27.072,1048 1.52,1049 1.533,1050 1.577,1051 1.51,1052 1.503,1053 1.905,1054 0.311,1055 4.57,1056 1.446,1057 4.101,1058 4.101,1059 4.735,1060 4.052,1061 8.513,1062 3.994,1063 3.984,1064 3.996,1065 3.953,1066 3.908,1067 7.999,1068 3.885,1069 3.909,1070 3.938,1071 3.84,1072 3.853,1073 7.999,1074 3.843,1075 3.822,1076 3.85,1077 3.79,1078 3.717,1079 7.717,1080 3.722,1081 3.683,1082 3.695,1083 3.74,1084 3.57,1085 7.427,1086 3.529,1087 3.579,1088 3.604,1089 3.463,1090 3.471,1091 6.999,1092 3.446,1093 3.447,1094 3.521,1095 3.252,1096 3.289,1097 6.472,1098 3.268,1099 3.335,1100 3.398,1101 3.221,1102 3.187,1103 4.81,1104 3.173,1105 0.108,1106 0.104,1107 0.162,1108 0.098,1109 0.076,1110 4.858,1111 0.105,1112 4.686,1113 0.085,1114 7.31,1115 0.288,1116 4.409,1117 0.074,1118 3.437,1119 4.708,1120 3.825,1121 12.97,1122 3.345,1123 1.984,1124 1.971,1125 2.096,1126 2.086,1127 1.419,1128 2.096,1129 1.936,1130 1.914,1131 2.056,1132 2.039,1133 1.304,1134 2.055,1135 1.888,1136 1.876,1137 1.974,1138 1.989,1139 1.159,1140 2.001,1141 1.801,1142 1.772,1143 1.91,1144 1.928,1145 1.082,1146 1.939,1147 1.621,1148 1.577,1149 1.841,1150 1.782,1151 0.98,1152 1.807,1153 1.476,1154 1.479,1155 1.766,1156 1.678,1157 0.957,1158 1.711,1159 1.441,1160 1.392,1161 1.593,1162 1.615,1163 0.783,1164 1.636,1165 1.343,1166 1.284,1167 1.378,1168 1.533,1169 0.629,1170 1.557,1171 4.511,1173 5.872,1175 7.427,1177 9.068,1179 10.753,1180 3.834,1182 38.567,1184 11.082,1185 3.113,1186 2.333,1187 6.14,1189 -0.583,1191 -5.482,1192 47.909,1193 128.752,1194 281.868,1195 356.843,1196 412.897,1197 430.897,1198 430.897,1199 161.316,1200 8.261,1201 105.59,1202 113.97,1203 24,1204 13.041,1205 4.524,1206 3.807,1207 79.207,1208 228,1209 234,1210 0.166,1211 294.653,1212 536.35,1213 710.714,1214 50372,1215 4,1216 30.545,1217 0.727,1218 0.575,1219 28.295,1220 24.134,1221 19.871,1222 0.442,1223 0.338,1224 13.663,1225 18.34,1226 13.238,1227 10.971,1228 19.481,1229 15.208,1230 19.205,1231 0.291,1232 0.182,1233 18.548,1234 12.043,1235 14.679,1236 0.177,1237 0.105,1238 14.847,1239 8.678,1240 12.654,1241 0.118,1242 0.059,1243 12.977,1244 6.343,1245 9.408,1246 0.073,1247 0.033,1248 9.982,1249 4.283,1250 0.264,1251 133.439,1252 0.187,1253 37.533,1254 0.443,1255 222,1256 854.264,1257 293.502,1258 759.665,1259 989.73,1260 696,1261 260,1262 669.508,1263 332.48,1264 692.477,1265 1031.18,1266 648,1267 5.046} {0 CHEMBL2322207,1 1.541,2 14.683,3 4.224,4 17.84,5 159.891,6 7.223,7 0.4,8 4.464,9 4.575,10 4.106,11 4.025,12 5.458,13 3.975,14 5.051,15 5.215,16 4.418,17 4.448,18 6.151,19 4.375,20 5.365,21 5.567,22 4.56,23 4.659,24 6.326,25 4.555,26 5.521,27 5.742,28 4.579,29 4.708,30 6.517,31 4.597,32 5.548,33 5.771,34 4.574,35 4.732,36 6.562,37 4.618,38 5.547,39 5.773,40 4.556,41 4.742,42 6.518,43 4.622,44 5.589,45 5.823,46 4.527,47 4.714,48 6.702,49 4.598,50 5.526,51 5.764,52 4.445,53 4.671,54 6.45,55 4.543,56 0.095,57 1.143,58 20.827,59 8.245,60 19.323,61 10.46,62 0.482,63 1.882,64 36.159,65 14.107,66 74.511,67 18.302,68 0.38,69 2.487,70 52.547,71 19.683,72 69.997,73 25.549,74 0.751,75 2.795,76 65.239,77 21.642,78 116.356,79 28.326,80 0.935,81 2.827,82 63.431,83 21.923,84 123.467,85 29.157,86 0.578,87 2.851,88 65.096,89 22.701,90 100.47,91 30.372,92 1.136,93 2.829,94 64.682,95 22.445,96 192.029,97 30.635,98 0.622,99 2.708,100 60.773,101 21.929,102 97.216,103 29.895,104 31,105 64,106 0.234,107 0.538,108 0.732,109 0.839,110 0.855,111 0.855,112 3.742,113 1.049,114 -4.1,115 -4.05,116 -3.83,117 40,118 1,119 4,120 1,121 1,122 1,123 4,125 1,135 12,136 3,137 3,145 1,154 19,156 1,157 6,160 3,162 4,163 21,167 11,170 1,171 8,174 19,178 11,181 1,182 1,183 5,186 17,190 9,192 4,193 1,194 6,197 22,201 8,206 6,208 22,211 3,212 8,215 3,217 6,220 15,223 1,224 9,228 9,231 9,235 1,236 7,239 1,241 11,243 3,246 3511,247 27.755,248 27.755,249 27.755,250 27.755,251 27.755,252 25.16,253 32.636,254 16.531,255 28.313,256 22.178,257 22.178,258 22.178,259 22.178,260 22.178,261 18.224,262 40.341,263 7.766,264 22.992,265 4.781,266 2.779,267 1.5,268 0.794,269 0.694,270 0.694,271 4.444,275 1,276 1302,277 4.899,280 584.548,284 339.488,285 1.948,286 50.374,288 0.75,289 0.67,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.74,296 88.5,297 602,298 4.852,299 4.686,300 8.044,301 4.674,302 3.682,303 4.7,304 1.907,305 15.544,306 3.653,307 4.83,308 4.023,309 7.308,310 4.312,311 3.393,312 4.277,313 0.86,314 12.509,315 3.095,316 3.975,317 3.701,318 6.163,319 3.827,320 2.83,321 3.58,322 0.86,323 8.758,324 2.812,325 3.962,326 2.893,327 6.065,328 3.517,329 2.532,330 3.396,331 0.68,332 8.579,333 2.49,334 3.837,335 2.678,336 5.849,337 3.448,338 2.506,339 3.129,340 0.4,341 8.056,342 2.412,343 3.73,344 2.668,345 5.356,346 3.412,347 2.417,348 2.951,349 0.149,350 6.774,351 2.349,352 3.354,353 2.547,354 5.08,355 3.199,356 2.223,357 2.417,359 6.183,360 2.157,361 3.054,362 2.213,363 4.644,364 2.703,365 1.754,366 2.22,368 4.616,369 1.663,370 2.974,371 1.968,372 4.405,373 2.593,374 1.607,375 2.169,377 3.869,378 1.581,379 2.819,380 1.666,381 4.331,382 2.513,383 1.54,384 1.966,386 3.636,387 1.491,388 2.769,389 1.627,390 4.143,391 2.393,392 1.422,393 1.792,395 3.373,396 1.375,397 2.702,398 1.459,399 3.806,400 2.342,401 1.347,402 1.78,404 3.304,405 1.339,406 2.583,407 1.419,408 3.644,409 2.236,410 1.247,411 1.581,413 2.907,414 1.23,415 2.5,416 1.401,417 3.607,418 2.152,419 1.197,420 1.5,422 2.762,423 1.138,424 2.477,425 1.359,426 3.502,427 2.062,428 1.136,429 1.449,431 2.522,432 1.047,433 19.7,434 0.48,435 1.024,436 0.025,437 48.5,438 1.183,439 23,440 0.561,441 25.5,442 0.622,443 45.366,444 1.106,445 45.7,446 0.571,447 43.705,448 1.066,449 9.136,450 0.223,451 10.685,452 0.261,453 0.102,454 0.068,455 0.228,459 0.669,460 1.282,461 0.864,462 1.215,463 0.635,464 1.017,465 0.845,466 1.05,467 0.925,468 0.988,469 0.578,470 0.983,471 0.934,472 1.13,473 1.015,474 1.094,475 0.842,476 1.036,477 1.201,478 1.047,479 1.145,480 1.054,481 1.242,482 0.992,483 1.163,484 0.955,485 1.011,486 0.921,487 1.305,488 0.983,489 0.985,490 1.103,491 1.056,492 1.117,493 1.092,494 1.061,495 1.019,496 0.945,497 0.897,498 0.903,499 1.126,500 0.986,501 0.939,502 1.112,503 0.915,504 1.027,505 0.85,506 1.051,507 9,508 0.342,509 5.778,510 3.5,511 2.551,512 1.653,513 1.134,514 0.799,515 0.472,516 0.411,517 27081,518 67795,519 2.078,520 48.8,521 7,522 24,525 3,526 1,527 4,529 1.809,530 1.952,531 3.73,532 0.716,535 123.259,536 1.541,537 3.543,538 4.821,539 5.528,540 5.628,541 5.628,542 3.135,543 4.87,544 5.328,545 3.953,546 3241.57,547 9.435,548 56212.2,552 505.754,553 1.498,554 5.283,555 0.2,556 0.007,557 0.09,558 0.049,559 0.036,560 0.023,561 0.016,562 0.012,563 0.007,564 0.008,565 0.449,566 0.33,567 0.63,568 1.154,569 231.729,570 0.046,571 -0.054,572 0.172,573 -0.032,574 -0.091,575 0.039,576 0.105,577 0.071,578 0.022,579 0.048,580 0.179,581 0.017,582 -0.043,583 -0.069,584 -0.005,585 -0.046,586 -0.01,587 -0.028,588 -0.099,589 -0.011,590 -0.071,591 -0.03,592 -0.078,593 -0.015,594 -0.052,595 0.056,596 -0.053,597 0.033,598 -0.094,599 -0.017,600 -0.062,601 -0.09,602 -0.067,603 -0.112,604 -0.061,605 -0.066,606 0.095,607 0.018,608 -0.016,609 -0.001,610 0.122,611 -0.025,612 -0.003,613 -0.148,614 -0.024,615 -0.09,616 -0.01,617 -0.066,618 4.61,619 6.622,620 0.634,621 48.193,622 0.999,623 1.124,624 2.874,625 8.26,626 0.658,627 3.829,628 4.174,629 4.466,630 4.754,631 5.03,632 5.147,633 5.283,634 5.384,635 5.476,636 5.501,637 8.36,638 0.616,639 577.81,640 3.829,641 5.389,642 6.252,643 7.154,644 8.044,645 8.958,646 9.861,647 10.782,648 11.691,649 12.617,650 3.8,652 2,657 1,662 12,666 6,667 18,674 1,676 80,677 21,678 3,679 45,680 84,681 32,682 18,683 6,684 12,686 5,687 8,690 1,691 1,693 1,694 2,695 1,697 5,698 19,699 13,700 1,701 3,703 1,704 3,708 1,713 39,714 8,715 3,716 9,717 1,719 3,721 0.6,722 5,732 5,736 2,740 1,748 1,752 1,753 3,755 1,756 2,759 41,761 1,763 8,764 3,765 2,767 2,769 1,772 6.3,775 3,776 1,777 1,778 21,779 14.417,780 9.042,781 4.84,783 3.097,784 1.362,785 0.969,786 9.349,787 11.664,788 4.06,789 4.63,790 5.122,791 5.635,792 6.158,793 6.375,794 6.696,795 6.969,796 7.282,797 7.437,798 0.9,799 71,800 15.585,801 7.003,802 7.744,803 29.625,804 25.256,805 2.244,806 92,809 423.76,810 186.577,811 52.426,813 91.458,815 5.807,816 180.77,817 515.217,818 52.426,819 19.708,820 39.058,821 153.938,822 85.162,823 32.594,825 423.76,827 423.76,828 233.196,829 91.458,830 5.807,831 376.675,832 127.542,833 11,835 82.299,836 150.897,837 5.807,839 423.76,840 143.884,841 186.577,843 5.807,844 423.76,845 47.347,846 133.423,847 52.426,848 91.458,849 423.76,850 143.884,851 186.577,852 0.579,853 0.34,854 0.186,855 0.108,856 30,857 13,858 0.131,859 11,860 2,861 1.154,862 4.845,863 427.258,864 0.154,865 26,866 201.66,869 1,870 29.591,871 12.954,872 6.62,874 143.884,875 22.858,879 4.936,880 52.426,881 754.221,882 57,884 -3.693,885 39.588,889 -0.088,891 79.923,892 89.936,893 0.244,894 0.56,895 0.763,896 0.874,897 0.89,898 0.89,899 5.325,900 1.754,901 6.275,902 6.183,903 4.86,904 5.318,905 2.42,906 7.18,907 4.795,908 6.539,909 1.607,910 7.898,911 4.616,912 4.635,913 5.308,914 1.593,915 8.598,916 4.536,917 7.884,918 1.54,919 9.651,920 3.869,921 6.586,922 7.541,923 3.04,924 11.718,925 6.459,926 9.274,927 1.422,928 11.491,929 3.636,930 7.238,931 8.39,932 3.032,933 14.031,934 7.076,935 10.707,936 1.347,937 13.392,938 3.373,939 8.706,940 10.158,941 4.069,942 16.821,943 8.522,944 12.172,945 1.247,946 15.334,947 3.304,948 9.731,949 11.377,950 4.409,951 19.417,952 9.52,953 13.661,954 1.197,955 17.307,956 2.907,957 11.048,958 12.986,959 5.257,960 22.146,961 10.82,962 3.682,963 1.136,964 19.302,965 2.762,966 12.225,967 14.369,968 5.75,969 24.831,970 11.979,971 3.393,972 15.544,973 21.315,974 2.522,975 13.503,976 15.92,977 6.503,978 27.555,979 13.245,980 2.83,981 12.509,982 23.34,983 4.7,984 14.741,985 17.379,986 7.068,987 30.27,988 14.471,989 2.532,990 8.758,991 25.375,992 4.277,993 16.014,994 18.912,995 7.771,996 32.999,997 15.736,998 2.506,999 8.579,1000 27.418,1001 3.58,1002 17.277,1003 20.408,1004 8.374,1005 35.726,1006 16.994,1007 2.417,1008 8.056,1009 29.468,1010 3.396,1011 18.553,1012 21.936,1013 9.051,1014 38.459,1015 18.266,1016 2.223,1017 6.774,1018 31.522,1019 3.129,1020 19.829,1021 23.45,1022 9.674,1023 41.193,1024 19.538,1025 25690,1026 40839,1027 29.989,1028 52.642,1029 67.156,1030 69.159,1031 70.177,1032 66.833,1033 66.813,1034 83.585,1035 9.712,1036 197.886,1037 64.651,1038 5.852,1039 6.686,1040 7.974,1041 5.765,1042 5.682,1043 7.7,1044 3.306,1045 24.143,1046 5.653,1047 19.967,1048 1.492,1049 1.537,1050 1.559,1051 1.485,1052 1.485,1053 1.857,1054 0.216,1055 4.397,1056 1.437,1057 4.113,1058 4.122,1059 4.736,1060 4.078,1061 7.717,1062 4.029,1063 4.055,1064 4.052,1065 4.035,1066 4.006,1067 7.428,1068 3.972,1069 3.856,1070 3.905,1071 3.76,1072 3.722,1073 6.999,1074 3.722,1075 3.758,1076 3.788,1077 3.72,1078 3.707,1079 4.957,1080 3.698,1081 3.687,1082 3.738,1083 3.686,1084 3.577,1085 4.706,1086 3.535,1087 3.652,1088 3.656,1089 3.531,1090 3.536,1091 4.631,1092 3.496,1093 3.49,1094 3.544,1095 3.38,1096 3.297,1097 4.615,1098 3.299,1099 3.327,1100 3.383,1101 3.197,1102 3.103,1103 4.39,1104 3.113,1105 0.108,1106 0.104,1107 0.179,1108 0.104,1109 0.082,1110 4.852,1111 0.104,1112 4.686,1113 0.042,1114 8.044,1115 0.345,1116 4.674,1117 0.081,1118 3.682,1119 4.7,1120 1.907,1121 15.544,1122 3.653,1123 2.037,1124 2.021,1125 2.131,1126 2.124,1127 1.448,1128 2.127,1129 1.979,1130 1.982,1131 2.036,1132 2.068,1133 1.395,1134 2.098,1135 1.833,1136 1.782,1137 2.011,1138 1.987,1139 1.19,1140 2.001,1141 1.772,1142 1.744,1143 1.921,1144 1.862,1145 1.178,1146 1.883,1147 1.68,1148 1.626,1149 1.902,1150 1.849,1151 0.978,1152 1.869,1153 1.518,1154 1.526,1155 1.689,1156 1.722,1157 0.891,1158 1.733,1159 1.431,1160 1.381,1161 1.585,1162 1.634,1163 0.845,1164 1.664,1165 1.261,1166 1.204,1167 1.535,1168 1.546,1169 0.711,1170 1.559,1171 4.511,1173 5.849,1175 7.402,1177 9.06,1179 10.779,1180 3.626,1185 5.106,1186 9.314,1187 11.583,1189 -0.76,1191 -0.469,1192 49.308,1193 123.259,1194 283.411,1195 385.715,1196 442.244,1197 450.244,1198 450.244,1199 108.539,1200 8.567,1201 105.76,1202 114.14,1203 30,1204 13.125,1205 4.459,1206 3.7,1207 66.206,1208 205,1209 242,1210 0.154,1211 302.979,1212 536.72,1213 731.03,1214 74354,1216 28.874,1217 0.704,1218 0.598,1219 29.124,1220 24.506,1221 19.82,1222 0.44,1223 0.35,1224 14.208,1225 18.396,1226 13.717,1227 11.364,1228 20.642,1229 15.738,1230 18.04,1231 0.282,1232 0.2,1233 19.34,1234 12.78,1235 15.025,1236 0.175,1237 0.113,1238 16.13,1239 9.702,1240 12.624,1241 0.11,1242 0.063,1243 13.646,1244 7.254,1245 10.636,1246 0.07,1247 0.036,1248 11.509,1249 5.453,1250 0.243,1251 132.07,1252 0.183,1253 36.394,1254 0.421,1255 218,1256 600.537,1257 272.653,1258 594.422,1259 805.06,1260 552,1261 259,1262 555.275,1263 322.391,1264 600.142,1265 877.46,1266 562,1267 4.523} {0 CHEMBL2322611,1 1.392,2 13.485,3 3.379,4 11.418,5 131.876,6 6.404,7 0.343,8 4.318,9 4.445,10 3.746,11 3.798,12 5.301,13 3.755,14 4.904,15 5.102,16 4.043,17 4.181,18 5.791,19 4.109,20 5.149,21 5.374,22 4.133,23 4.352,24 6.014,25 4.243,26 5.287,27 5.538,28 4.149,29 4.399,30 6.169,31 4.276,32 5.3,33 5.542,34 4.203,35 4.464,36 6.2,37 4.343,38 5.357,39 5.589,40 4.243,41 4.536,42 6.252,43 4.398,44 5.455,45 5.728,46 4.137,47 4.495,48 6.29,49 4.336,50 5.327,51 5.598,52 4.06,53 4.358,54 6.173,55 4.222,56 0.051,57 0.955,58 17.142,59 7.052,60 11.467,61 9.739,62 0.381,63 1.518,64 31.757,65 11.082,66 32.28,67 15.83,68 0.438,69 1.872,70 40.206,71 14.268,72 41.038,73 20.683,74 0.616,75 2.03,76 46.498,77 15.739,78 64.77,79 22.935,80 0.64,81 2.098,82 46.976,83 16.557,84 72.104,85 23.89,86 0.568,87 2.276,88 49.244,89 18.081,90 64.556,91 26.178,92 0.683,93 2.33,94 54.86,95 18.192,96 76.563,97 27.098,98 0.587,99 1.997,100 48.533,101 15.843,102 68.779,103 23.215,104 39,105 46,106 0.22,107 0.515,108 0.756,109 0.849,110 0.864,111 0.864,112 3.532,113 1.019,114 -4.21,115 -4.15,116 -3.92,117 38,118 2,119 2,120 2,122 2,123 5,125 1,135 8,136 2,137 2,145 1,154 12,156 1,157 9,162 2,163 13,166 1,167 9,171 1,174 9,177 1,178 8,181 1,183 1,186 11,189 2,190 3,194 2,197 14,200 2,201 4,204 1,206 5,208 10,211 1,212 10,217 3,220 6,224 8,228 1,231 9,235 2,236 4,239 1,243 14,246 2149,247 22.482,248 22.482,249 22.482,250 22.482,251 22.482,252 20.94,253 31.226,254 13.748,255 23.128,256 17.187,257 17.187,258 17.187,259 17.187,260 17.187,261 14.793,262 38.445,263 6.408,264 18,265 4.758,266 2.896,267 1.37,268 0.786,269 0.69,270 0.69,271 4.213,275 1,276 928,277 4.472,279 108.311,280 240.784,285 2.075,286 28.568,288 1,289 0.67,290 0.83,291 1,292 1,293 0.83,294 0.5,295 0.83,296 71,297 445,298 4.373,299 3.729,300 6.586,301 4.076,302 3.104,303 3.985,304 1.2,305 10.331,306 3.018,307 4.079,308 3.188,309 6.195,310 3.885,311 2.905,312 3.462,313 0.86,314 9.258,315 2.859,316 3.971,317 3.005,318 6.116,319 3.712,320 2.761,321 3.355,322 0.86,323 8.912,324 2.605,325 3.726,326 2.652,327 5.51,328 3.427,329 2.43,330 2.845,331 0.86,332 7.005,333 2.419,334 3.4,335 2.495,336 5.311,337 3.19,338 2.218,339 2.517,340 0.4,341 6.69,342 2.143,343 2.978,344 2.341,345 4.438,346 2.739,347 1.826,348 2.1,349 0.293,350 4.391,351 1.659,352 2.91,353 2.152,354 4.309,355 2.555,356 1.56,357 2.065,359 3.999,360 1.551,361 2.702,362 1.944,363 4.145,364 2.463,365 1.548,366 1.712,368 3.348,369 1.411,370 2.685,371 1.635,372 3.7,373 2.368,374 1.385,375 1.652,377 3.215,378 1.357,379 2.5,380 1.525,381 3.599,382 2.223,383 1.223,384 1.5,386 2.975,387 1.215,388 2.394,389 1.408,390 3.454,391 2.039,392 1.102,393 1.379,395 2.463,396 1.029,397 2.149,398 1.279,399 3.247,400 2,401 1,402 1.141,404 2.136,405 1,406 2.105,407 1.049,408 3.247,409 1.881,410 1,411 1.079,413 1.883,414 0.87,415 1.761,416 1,417 3.139,418 1.556,419 0.646,420 0.703,422 1.339,423 0.58,424 1.633,425 0.963,426 2.822,427 1.367,428 0.397,429 0.461,431 0.821,432 0.381,433 15.633,434 0.474,435 0.644,436 0.02,437 35,438 1.061,439 14.5,440 0.439,441 20.5,442 0.621,443 35.992,444 1.091,445 38.367,446 0.54,447 28.276,448 0.857,449 6.913,450 0.209,451 9.115,452 0.276,453 0.149,455 0.281,459 0.835,460 1.467,461 0.939,462 1.322,463 0.667,464 1.166,465 1.283,466 1.052,467 1.046,468 0.97,469 0.818,470 0.968,471 0.946,472 1.155,473 1.032,474 1.117,475 0.807,476 1.084,477 1.075,478 0.984,479 0.994,480 0.967,481 1.375,482 0.965,483 1.029,484 0.985,485 0.998,486 0.96,487 1.567,488 0.973,489 0.765,490 1.245,491 1.059,492 1.217,493 1.065,494 1.187,495 1,496 1.034,497 1.029,498 1.011,499 1.278,500 1.017,501 1.256,502 0.896,503 0.985,504 0.887,505 1.258,506 0.893,507 5.5,508 0.16,509 3.333,510 1.944,511 1.674,512 1.229,513 0.893,514 0.61,515 0.485,516 0.281,517 14710,518 33237,519 2.011,520 53.5,521 2,522 25,525 1,527 7,528 3,529 1.756,530 1.886,531 3.683,532 -0.412,535 98.829,536 1.392,537 3.253,538 4.78,539 5.364,540 5.459,541 5.459,542 3.219,543 4.552,544 5.01,545 3.839,546 2027.08,547 8.799,548 30798,552 436.632,553 1.382,554 4.975,555 0.157,556 0.005,557 0.072,558 0.041,559 0.035,560 0.024,561 0.017,562 0.014,563 0.011,564 0.007,565 0.383,566 0.33,567 0.88,568 1.491,569 176.008,570 0.007,571 -0.179,572 0.061,573 -0.104,574 -0.002,575 -0.026,576 -0.101,577 0.085,578 -0.012,579 0.085,580 -0.016,581 0.054,582 0.015,583 -0.07,584 -0.037,585 -0.079,586 0.051,587 -0.064,588 -0.001,589 0.033,590 0.01,591 0.017,592 -0.018,593 0.016,594 0.002,595 0.046,596 -0.001,597 0.054,598 -0.067,599 0.029,600 0.087,601 -0.187,602 -0.085,603 -0.171,604 0.022,605 -0.158,606 -0.017,607 -0.053,608 -0.042,609 -0.054,610 -0.068,611 -0.05,612 -0.1,613 0.063,614 0.024,615 0.059,616 -0.045,617 0.061,618 1.639,619 6.556,620 0.515,621 38.632,622 0.992,623 1.131,624 2.976,625 8.855,626 0.627,627 3.584,628 3.85,629 4.094,630 4.304,631 4.466,632 4.533,633 4.635,634 4.691,635 4.691,636 4.663,637 7.639,638 0.583,639 454.67,640 3.584,641 5.094,642 5.922,643 6.774,644 7.625,645 8.488,646 9.349,647 10.217,648 11.083,649 11.954,650 2.8,652 1,657 1,662 8,666 4,667 12,669 1,674 2,676 71,677 13,678 2,679 35,680 73,681 27,682 12,683 4,684 8,685 1,686 3,687 3,690 2,695 2,697 3,698 13,699 14,700 2,701 1,704 1,708 1,713 38,714 6,715 1,716 6,719 2,721 1,722 4,729 1,731 1,732 2,748 1,752 1,753 3,756 4,759 33,763 7,764 1,765 3,767 3,768 1,772 5.6,775 1,776 1,777 2,778 17.5,779 13.533,780 7.639,781 4.342,783 1.935,784 1.26,785 0.919,786 10.043,787 9.37,788 3.761,789 4.22,790 4.691,791 5.13,792 5.57,793 5.639,794 5.849,795 5.917,796 6.028,797 6.061,798 1,799 48,800 12.281,801 4.998,802 7.586,803 23.993,804 19.275,805 2.086,806 68.833,809 435.531,810 157.36,811 21.135,813 58.145,816 157.36,817 493.675,818 21.135,819 39.417,820 23.695,821 93.821,822 40.849,823 38.858,825 435.531,827 435.531,828 178.495,829 58.145,831 317.82,832 164.856,833 11,835 59.356,836 119.139,839 435.531,840 79.28,841 157.36,844 435.531,845 42.134,846 118.351,847 18.011,848 58.145,849 435.531,850 79.28,851 157.36,852 0.56,853 0.328,854 0.175,855 0.092,856 18,857 9,858 0.164,859 12,861 1,862 4.342,863 289.17,865 17,866 160.465,870 25.543,871 12.974,872 7.2,874 79.28,875 16.053,879 3.191,880 18.011,881 672.171,882 42,885 13.556,889 0.028,891 70.418,892 80.308,893 0.226,894 0.529,895 0.777,896 0.872,897 0.888,898 0.888,899 4.984,900 1.548,901 5.878,902 3.999,903 4.533,904 4.905,905 2.156,906 6.65,907 4.458,908 6.121,909 1.385,910 7.414,911 3.348,912 4.007,913 4.511,914 0.325,915 7.506,916 3.929,917 7.385,918 1.223,919 9.056,920 3.215,921 6.08,922 6.906,923 2.063,924 10.599,925 5.949,926 8.685,927 1.102,928 10.763,929 2.975,930 6.431,931 7.359,932 0.653,933 12.297,934 6.289,935 10.021,936 1,937 12.511,938 2.463,939 7.924,940 9.229,941 2.096,942 14.885,943 7.745,944 11.381,945 1,946 14.286,947 2.136,948 8.675,949 10.075,950 1.001,951 16.915,952 8.475,953 12.759,954 0.646,955 16.081,956 1.883,957 9.933,958 11.717,959 2.212,960 19.326,961 9.705,962 3.104,963 0.397,964 17.889,965 1.339,966 10.87,967 12.771,968 1.37,969 21.5,970 10.616,971 2.905,972 10.331,973 19.707,974 0.821,975 12.031,976 14.295,977 2.393,978 23.845,979 11.752,980 2.761,981 9.258,982 21.532,983 3.985,984 13.055,985 15.471,986 1.754,987 26.087,988 12.749,989 2.43,990 8.912,991 23.364,992 3.462,993 14.178,994 16.929,995 2.625,996 28.407,997 13.848,998 2.218,999 7.005,1000 25.201,1001 3.355,1002 15.244,1003 18.18,1004 2.143,1005 30.683,1006 14.887,1007 1.826,1008 6.69,1009 27.041,1010 2.845,1011 16.354,1012 19.6,1013 2.892,1014 32.996,1015 15.972,1016 1.56,1017 4.391,1018 28.885,1019 2.517,1020 17.441,1021 20.898,1022 2.535,1023 35.291,1024 17.032,1025 14560,1026 21998,1027 23.057,1028 44.535,1029 50.838,1030 52.673,1031 52.935,1032 50.442,1033 50.571,1034 60.283,1035 8.946,1036 138.088,1037 48.502,1038 5.346,1039 5.729,1040 6.522,1041 5.132,1042 5.104,1043 6.985,1044 2.293,1045 17.39,1046 5.018,1047 17.166,1048 1.453,1049 1.505,1050 1.512,1051 1.441,1052 1.445,1053 1.722,1054 0.256,1055 3.945,1056 1.386,1057 4.014,1058 4.054,1059 3.945,1060 3.917,1061 7.428,1062 3.916,1063 3.927,1064 3.948,1065 3.862,1066 3.847,1067 4.913,1068 3.85,1069 3.808,1070 3.855,1071 3.711,1072 3.693,1073 4.754,1074 3.69,1075 3.657,1076 3.72,1077 3.534,1078 3.477,1079 4.634,1080 3.477,1081 3.618,1082 3.673,1083 3.463,1084 3.432,1085 4.446,1086 3.429,1087 3.322,1088 3.367,1089 3.192,1090 3.09,1091 4.413,1092 3.107,1093 3.242,1094 3.307,1095 3.048,1096 3.013,1097 4.265,1098 3.001,1099 3.176,1100 3.257,1101 2.99,1102 2.94,1103 4.195,1104 2.949,1105 0.125,1106 0.107,1107 0.188,1108 0.116,1109 0.089,1110 4.373,1111 0.114,1112 3.729,1113 0.034,1114 6.586,1115 0.295,1116 4.076,1117 0.086,1118 3.104,1119 3.985,1120 1.2,1121 10.331,1122 3.018,1123 1.935,1124 1.905,1125 2.072,1126 2.041,1127 1.415,1128 2.046,1129 1.9,1130 1.884,1131 2.001,1132 2.005,1133 1.182,1134 2.01,1135 1.728,1136 1.675,1137 1.928,1138 1.903,1139 1.162,1140 1.912,1141 1.596,1142 1.541,1143 1.853,1144 1.815,1145 1.068,1146 1.828,1147 1.578,1148 1.516,1149 1.834,1150 1.739,1151 1.04,1152 1.775,1153 1.441,1154 1.354,1155 1.711,1156 1.703,1157 0.942,1158 1.713,1159 1.231,1160 1.183,1161 1.573,1162 1.532,1163 0.601,1164 1.542,1165 1.185,1166 1.108,1167 1.567,1168 1.511,1169 0.595,1170 1.528,1171 4.263,1173 5.541,1174 2.398,1175 7.011,1176 4.595,1177 8.571,1178 6.555,1179 10.182,1180 7.445,1185 5.587,1186 3.539,1187 16.414,1189 1.028,1190 1.992,1192 41.384,1193 98.829,1194 230.996,1195 339.348,1196 380.858,1197 387.612,1198 387.612,1199 76.372,1200 7.434,1201 60.03,1202 60.03,1203 17,1204 12.497,1205 3.807,1206 3,1207 64.05,1208 147,1209 184,1210 0.206,1211 256.665,1212 455.46,1213 618.023,1214 17900,1216 23.631,1217 0.716,1218 0.618,1219 23.631,1220 20.381,1221 16.028,1222 0.458,1223 0.34,1224 11.698,1225 15.34,1226 11.282,1227 9.449,1228 16.028,1229 11.885,1230 13.544,1231 0.294,1232 0.195,1233 13.544,1234 8.98,1235 11.161,1236 0.189,1237 0.107,1238 11.161,1239 6.297,1240 8.943,1241 0.123,1242 0.06,1243 8.943,1244 4.411,1245 6.704,1246 0.078,1247 0.034,1248 6.704,1249 2.938,1250 0.326,1251 101.016,1252 0.208,1253 30.863,1254 0.56,1255 162,1256 448.92,1257 176.985,1258 419.279,1259 563.9,1260 396,1261 186,1262 393.659,1263 201.737,1264 401.393,1265 580.44,1266 373,1267 4.523} {0 CHEMBL2322896,1 1.313,2 10.111,3 5.761,4 33.183,5 113.688,6 7.249,7 0.6,8 4.021,9 4.145,10 3.581,11 3.657,12 5.005,13 3.595,14 4.565,15 4.737,16 3.923,17 4.067,18 5.469,19 3.972,20 4.886,21 5.12,22 3.933,23 4.207,24 5.666,25 4.059,26 4.944,27 5.209,28 3.849,29 4.19,30 5.662,31 4.03,32 4.944,33 5.194,34 3.973,35 4.268,36 5.697,37 4.129,38 5.031,39 5.26,40 4.058,41 4.375,42 5.839,43 4.221,44 5.12,45 5.389,46 3.964,47 4.333,48 5.893,49 4.141,50 4.953,51 5.248,52 3.782,53 4.113,54 5.702,55 3.902,56 0.05,57 0.689,58 11.052,59 4.864,60 8.463,61 6.819,62 0.122,63 1.177,64 20.601,65 8.339,66 17.813,67 11.755,68 0.2,69 1.552,70 32.126,71 12.105,72 24.573,73 17.037,74 0.266,75 1.647,76 34.442,77 12.746,78 26.153,79 18.082,80 0.223,81 1.643,82 32.077,83 13.018,84 25.426,85 18.576,86 0.162,87 1.79,88 34.301,89 14.532,90 28.561,91 20.528,92 0.256,93 1.905,94 42.122,95 15.85,96 39.244,97 22.328,98 0.249,99 1.541,100 39.171,101 13.897,102 35.269,103 19.393,104 2,105 40,106 0.219,107 0.474,108 0.616,109 0.772,110 0.841,111 0.848,112 3.34,113 1,114 -6.44,115 -6.27,116 -5.82,117 46.2,119 1,120 2,123 3,135 14,136 1,137 3,154 15,157 5,162 2,163 18,167 5,171 1,174 14,178 2,181 1,183 1,186 13,190 2,194 2,197 19,201 2,206 6,208 16,212 2,217 5,220 14,224 1,228 1,231 16,241 1,243 19,246 1195,247 18.775,248 18.775,249 18.775,250 18.775,251 18.775,252 16.546,253 22.824,254 11.482,255 19.064,256 14.869,257 14.869,258 14.869,259 14.869,260 14.869,261 11.757,262 31.618,263 5.523,264 15.407,265 4.387,266 2.857,267 2.006,268 1.067,269 0.654,270 0.615,271 4.042,272 1,275 1,276 596,277 2.828,279 80.109,280 270.942,285 1.383,286 10.508,288 0.75,289 0.83,290 0.83,291 0.7,292 0.5,293 0.83,294 1,295 0.78,296 55.333,297 273,298 4.277,299 3.293,300 6.535,301 4.025,302 3.069,303 3.779,304 0.8,305 10.334,306 2.947,307 3.989,308 2.97,309 6.146,310 3.817,311 2.836,312 3.462,313 0.4,314 9.085,315 2.766,316 3.862,317 2.881,318 5.322,319 3.428,320 2.45,321 3.426,323 6.885,324 2.419,325 3.722,326 2.566,327 5.307,328 3.376,329 2.418,330 2.861,332 6.654,333 2.294,334 3.436,335 2.237,336 4.934,337 2.988,338 2.059,339 2.726,341 5.682,342 1.843,343 2.937,344 1.693,345 4.373,346 2.569,347 1.586,348 2.102,350 4.205,351 1.549,352 2.894,353 1.607,354 3.944,355 2.458,356 1.48,357 2.052,359 3.314,360 1.426,361 2.5,362 1.426,363 3.587,364 2.272,365 1.29,366 1.5,368 2.969,369 1.266,370 2.5,371 1.27,372 3.462,373 2.046,374 1.106,375 1.5,377 2.501,378 1.036,379 2.5,380 1,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.46,389 1,390 3.376,391 2,392 1,393 1.455,395 2.136,396 1,397 2.166,398 1,399 3.247,400 2,401 1,402 1.154,404 2.136,405 1,406 1.92,407 0.931,408 3.247,409 1.681,410 0.734,411 0.848,413 1.929,414 0.683,415 1.118,416 0.368,417 2.721,418 0.921,419 -0.05,420 -0.055,422 -0.125,423 -0.046,424 1.049,425 0.124,426 2.637,427 0.66,428 -0.215,429 -0.255,431 -0.497,432 -0.161,433 13.514,434 0.501,435 0.465,436 0.017,437 35,438 1.296,439 18.5,440 0.685,441 16.5,442 0.611,443 22.858,444 0.847,445 27.886,446 0.536,447 23.592,448 0.874,449 6.79,450 0.251,451 6.503,452 0.241,453 0.053,455 0.252,459 0.791,460 1.159,461 0.703,462 0.928,463 0.721,464 0.913,465 1.055,466 1.189,467 0.852,468 1.013,469 0.766,470 1.036,471 1.092,472 1.136,473 0.986,474 1.058,475 0.834,476 1.065,477 1.045,478 0.914,479 0.88,480 0.902,481 0.839,482 0.935,483 0.576,484 0.907,485 0.64,486 0.859,487 0.584,488 0.879,489 0.616,490 1.205,491 0.797,492 1.107,493 0.78,494 1.116,495 0.972,496 1.076,497 0.954,498 1.04,499 0.996,500 1.056,501 1.085,502 0.834,503 0.999,504 0.871,505 1.051,506 0.879,507 4,508 0.066,509 2.444,510 1.194,511 1.034,512 0.646,513 0.432,514 0.419,515 0.249,516 0.069,517 8817,518 20360,519 2.165,520 48.1,521 2,522 20,525 1,527 1,528 1,529 1.707,530 2.104,531 3.285,532 -0.455,535 68.287,536 1.313,537 2.843,538 3.694,539 4.633,540 5.047,541 5.085,542 2.7,543 4.31,544 4.726,545 3.439,546 1207.19,547 8.238,548 15487.9,552 296.423,553 1.038,554 4.719,555 0.133,556 0.004,557 0.061,558 0.031,559 0.029,560 0.015,561 0.01,562 0.012,563 0.009,564 0.003,565 0.307,566 0.5,567 0.88,568 0.352,569 132.73,570 0.011,571 -0.053,572 0.033,573 0.01,574 0.017,575 0.03,576 -0.085,577 -0.095,578 -0.06,579 -0.084,580 0.005,581 -0.099,582 -0.079,583 -0.113,584 -0.084,585 -0.106,586 -0.005,587 -0.106,588 -0.046,589 0.108,590 -0.025,591 0.039,592 -0.06,593 0.022,594 0.096,595 0.097,596 0.083,597 0.088,598 0.059,599 0.092,600 0.022,601 -0.213,602 -0.045,603 -0.151,604 -0.043,605 -0.142,606 -0.038,607 -0.099,608 -0.037,609 -0.074,610 -0.058,611 -0.081,612 -0.005,613 0.101,614 0.091,615 0.129,616 0.049,617 0.118,618 0.892,619 2.006,620 0.852,621 23.473,622 0.983,623 1.114,624 5.214,625 27.188,626 0.692,627 3.434,628 3.714,629 3.97,630 4.22,631 4.431,632 4.454,633 4.595,634 4.7,635 4.727,636 4.691,637 6.068,638 0.638,639 376.96,640 3.434,641 4.949,642 5.784,643 6.64,644 7.494,645 8.358,646 9.221,647 10.089,648 10.956,649 11.827,650 3.8,652 1,658 1,662 14,666 4,667 18,672 1,675 1,676 52,677 18,678 3,679 30,680 55,681 24,682 18,683 4,684 14,686 4,687 4,688 1,695 2,697 1,698 18,699 6,700 2,713 25,714 2,715 1,716 3,717 1,719 2,721 1,729 1,731 1,732 3,748 1,753 4,757 1,759 27,763 4,764 1,767 2,768 1,771 1,778 12.833,779 8.926,780 6,781 3.166,783 2.143,784 1.298,785 1.001,786 5.882,787 9.327,788 3.689,789 4.212,790 4.707,791 5.202,792 5.703,793 5.646,794 5.965,795 6.303,796 6.54,797 6.704,798 0.857,799 38,800 9.973,801 4.168,802 7.424,803 19.829,804 16.68,805 1.924,806 51.944,809 282.506,810 153.719,811 21.135,812 39.149,816 153.719,817 321.655,818 21.135,820 8.852,821 150.678,823 15.324,825 282.506,826 39.149,827 282.506,828 174.854,830 39.149,831 258.964,832 23.542,835 29.987,836 144.867,837 39.149,839 282.506,840 21.135,841 192.867,844 282.506,845 21.051,846 135.792,847 18.011,848 39.149,849 282.506,850 21.135,851 192.867,852 0.567,853 0.325,854 0.18,855 0.101,856 19,857 7,858 0.109,859 6,861 1,862 3.955,863 231.708,865 23,866 116.382,870 18.244,871 8.706,872 4.591,874 21.135,875 29.659,879 4.617,880 18.011,881 496.509,882 39,891 51.131,892 57.923,893 0.23,894 0.499,895 0.648,896 0.813,897 0.885,898 0.892,899 4.894,900 1.29,901 5.727,902 3.314,903 4.394,904 4.898,905 0.824,906 6.482,907 4.327,908 6.044,909 1.106,910 7.241,911 2.969,912 3.761,913 4.29,914 0.325,915 7.261,916 3.599,917 7.301,918 1,919 8.858,920 2.501,921 5.922,922 6.931,923 0.413,924 10.372,925 5.79,926 8.589,927 1,928 10.54,929 2.275,930 6.176,931 7.124,932 0.268,933 12.051,934 5.959,935 9.909,936 1,937 12.266,938 2.136,939 7.733,940 9.215,941 0.246,942 14.641,943 7.536,944 11.25,945 0.734,946 14.023,947 2.136,948 8.411,949 9.804,950 0.188,951 16.684,952 8.141,953 12.608,954 -0.05,955 15.802,956 1.929,957 9.705,958 11.618,959 0.157,960 19.096,961 9.437,962 3.069,963 -0.215,964 17.598,965 -0.125,966 10.594,967 12.441,968 0.125,969 21.295,970 10.264,971 2.836,972 10.334,973 19.407,974 -0.497,975 11.772,976 14.087,977 0.102,978 23.644,979 11.429,980 2.45,981 9.085,982 21.226,983 3.779,984 12.767,985 15.064,986 0.082,987 25.91,988 12.369,989 2.418,990 6.885,991 23.052,992 3.462,993 13.896,994 16.599,995 0.067,996 28.239,997 13.475,998 2.059,999 6.654,1000 24.885,1001 3.426,1002 14.944,1003 17.681,1004 0.054,1005 30.534,1006 14.474,1007 1.586,1008 5.682,1009 26.724,1010 2.861,1011 16.054,1012 19.141,1013 0.043,1014 32.857,1015 15.553,1016 1.48,1017 4.205,1018 28.567,1019 2.726,1020 17.129,1021 20.296,1022 0.035,1023 35.168,1024 16.583,1025 8311,1026 12739,1027 20.86,1028 36.006,1029 44.526,1030 44.529,1031 44.561,1032 44.274,1033 44.056,1034 56.73,1035 2.4,1036 120.208,1037 42.46,1038 5.243,1039 5.293,1040 6.337,1041 5.059,1042 5.069,1043 6.779,1044 1.2,1045 17.074,1046 4.947,1047 6.909,1048 1.484,1049 1.484,1050 1.485,1051 1.476,1052 1.469,1053 1.891,1054 0.08,1055 4.007,1056 1.415,1057 4.026,1058 4.068,1059 4.022,1060 3.94,1061 4.951,1062 3.937,1063 3.922,1064 3.956,1065 3.882,1066 3.86,1067 4.767,1068 3.853,1069 3.813,1070 3.84,1071 3.809,1072 3.763,1073 4.741,1074 3.752,1075 3.781,1076 3.832,1077 3.677,1078 3.67,1079 4.407,1080 3.664,1081 3.262,1082 3.335,1083 3.366,1084 3.102,1085 4.309,1086 3.097,1087 3.133,1088 3.217,1089 3.007,1090 2.963,1091 3.819,1092 2.956,1093 2.866,1094 2.94,1095 2.94,1096 2.735,1097 3.764,1098 2.715,1099 2.854,1100 2.925,1101 2.687,1102 2.735,1103 3.674,1104 2.715,1105 0.143,1106 0.11,1107 0.218,1108 0.134,1109 0.102,1110 4.277,1111 0.126,1112 3.293,1113 0.027,1114 6.535,1115 0.344,1116 4.025,1117 0.098,1118 3.069,1119 3.779,1120 0.8,1121 10.334,1122 2.947,1123 1.955,1124 1.923,1125 2.078,1126 2.057,1127 1.413,1128 2.064,1129 1.921,1130 1.892,1131 2.038,1132 2.003,1133 1.167,1134 2.021,1135 1.82,1136 1.794,1137 1.933,1138 1.893,1139 1.063,1140 1.914,1141 1.659,1142 1.611,1143 1.856,1144 1.784,1145 1.007,1146 1.813,1147 1.451,1148 1.367,1149 1.713,1150 1.708,1151 0.943,1152 1.717,1153 1.125,1154 1.054,1155 1.393,1156 1.349,1157 0.603,1158 1.37,1159 0.963,1160 0.903,1161 1.238,1162 1.148,1163 0.462,1164 1.185,1165 0.886,1166 0.821,1167 1.181,1168 1.062,1169 0.218,1170 1.107,1171 4.111,1173 5.398,1174 2.398,1175 6.88,1176 4.595,1177 8.445,1178 6.555,1179 10.052,1181 6.118,1185 4.273,1186 3.612,1189 1.243,1190 2.423,1192 33.192,1193 68.287,1194 147.843,1195 192.1,1196 240.913,1197 262.423,1198 264.423,1199 34.703,1200 7.184,1201 15.27,1202 15.27,1203 23,1204 12.37,1205 4.248,1206 3.322,1207 39.897,1208 95,1209 103,1210 0.198,1211 206.988,1212 355.07,1213 496.811,1214 11977,1215 1.9,1216 18.476,1217 0.684,1218 0.598,1219 18.976,1220 16.147,1221 13.293,1222 0.443,1223 0.333,1224 9.603,1225 12.819,1226 9.344,1227 7.748,1228 13.582,1229 10,1230 11.508,1231 0.288,1232 0.193,1233 11.917,1234 7.727,1235 9.674,1236 0.186,1237 0.11,1238 9.962,1239 5.696,1240 7.981,1241 0.119,1242 0.061,1243 8.148,1244 4.106,1245 6.479,1246 0.078,1247 0.035,1248 6.693,1249 2.866,1250 0.305,1251 83.97,1252 0.219,1253 25.733,1254 0.561,1255 140,1256 298.181,1257 159.655,1258 333.193,1259 457.64,1260 314,1261 162,1262 318.511,1263 176.754,1264 339.077,1265 490.68,1266 321,1267 4.959} {0 CHEMBL270359,1 1.528,2 15.136,3 5.511,4 30.369,5 167.545,6 6.986,7 0.383,8 4.53,9 4.655,10 4.019,11 4.046,12 5.605,13 4.013,14 5.103,15 5.286,16 4.374,17 4.438,18 6.157,19 4.381,20 5.417,21 5.639,22 4.467,23 4.585,24 6.471,25 4.503,26 5.513,27 5.755,28 4.503,29 4.595,30 6.613,31 4.518,32 5.511,33 5.728,34 4.541,35 4.657,36 6.655,37 4.58,38 5.613,39 5.845,40 4.585,41 4.742,42 6.742,43 4.646,44 5.629,45 5.859,46 4.603,47 4.783,48 6.735,49 4.68,50 5.658,51 5.905,52 4.603,53 4.754,54 6.817,55 4.648,56 0.052,57 1.329,58 19.174,59 8.667,60 18.351,61 11.318,62 0.341,63 2.138,64 36.484,65 14.141,66 50.417,67 19.185,68 0.677,69 2.669,70 52.636,71 18.36,72 101.602,73 25.216,74 0.996,75 2.818,76 59.788,77 19.128,78 167.351,79 26.664,80 0.907,81 2.818,82 58.394,83 19.688,84 162.691,85 26.924,86 1.287,87 3.04,88 65.373,89 22.011,90 196.015,91 30.588,92 0.955,93 3.213,94 65.603,95 23.608,96 181.811,97 32.26,98 1.222,99 3.314,100 68.778,101 23.432,102 216.87,103 32.687,104 75,105 64,106 0.229,107 0.537,108 0.757,109 0.842,110 0.85,111 0.853,112 3.81,113 0.983,114 -5.51,115 -5.39,116 -5.03,117 40.2,118 3,119 4,123 4,125 4,135 11,136 5,137 2,145 2,154 18,156 1,157 7,160 1,162 3,163 19,167 10,169 1,170 2,171 5,174 9,178 11,182 1,183 7,186 8,190 10,192 2,194 7,197 14,200 2,201 4,204 4,206 8,208 20,212 1,217 8,220 19,223 1,224 8,228 11,231 15,236 6,239 2,241 8,243 11,246 5086,247 29.411,248 29.411,249 29.411,250 29.411,251 29.411,252 26.951,253 35.444,254 17.661,255 29.856,256 23.148,257 23.148,258 23.148,259 23.148,260 23.148,261 19.358,262 42.712,263 8.301,264 23.906,265 4.915,266 2.865,267 1.403,268 0.839,269 0.785,270 0.762,271 4.497,276 1396,277 5.244,279 147.803,280 537.943,285 2.298,286 68.707,288 0.5,289 0.67,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.7,296 96.5,297 666,298 4.378,299 3.702,300 6.451,301 4.056,302 3.071,303 3.996,304 1.2,305 9.953,306 3.034,307 4.187,308 3.577,309 6.415,310 3.976,311 3.005,312 3.813,313 1.151,314 9.803,315 2.904,316 4.046,317 3.223,318 6.037,319 3.732,320 2.767,321 3.446,322 1.058,323 8.634,324 2.687,325 3.948,326 3.129,327 5.702,328 3.715,329 2.732,330 3.321,331 0.4,332 8.021,333 2.656,334 3.892,335 2.935,336 5.499,337 3.532,338 2.561,339 3.017,340 0.293,341 7.35,342 2.497,343 3.612,344 2.666,345 5.337,346 3.395,347 2.428,348 2.845,350 6.918,351 2.33,352 3.471,353 2.629,354 5.279,355 3.218,356 2.232,357 2.62,359 6.521,360 2.189,361 3.25,362 2.592,363 5.01,364 2.966,365 2.013,366 2.481,368 5.865,369 1.902,370 3.232,371 2.407,372 4.844,373 2.904,374 1.92,375 2.38,377 5.383,378 1.881,379 3.154,380 2.327,381 4.727,382 2.787,383 1.879,384 2.277,386 5.023,387 1.678,388 2.936,389 1.995,390 4.618,391 2.644,392 1.693,393 2.089,395 4.963,396 1.601,397 2.814,398 1.863,399 4.07,400 2.471,401 1.481,402 1.855,404 3.28,405 1.464,406 2.588,407 1.62,408 3.713,409 2.237,410 1.247,411 1.536,413 3.111,414 1.233,415 2.5,416 1.579,417 3.648,418 2.209,419 1.203,420 1.5,422 2.324,423 1.199,424 2.434,425 1.352,426 3.514,427 2.035,428 1.028,429 1.304,431 2.136,432 1.027,433 20.605,434 0.468,435 1.099,436 0.025,437 48,438 1.091,439 21,440 0.477,441 27,442 0.614,443 52.16,444 1.185,445 50.195,446 0.577,447 46.122,448 1.048,449 9.417,450 0.214,451 11.743,452 0.267,453 0.149,455 0.335,458 2,459 0.677,460 1.157,461 0.842,462 1.16,463 0.601,464 1.057,465 0.77,466 1.082,467 0.909,468 1.094,469 0.582,470 1.04,471 0.98,472 1.062,473 1.011,474 1.09,475 0.873,476 1.059,477 1.068,478 0.833,479 0.927,480 0.884,481 1.019,482 0.875,483 1.12,484 1.02,485 1.068,486 1.062,487 1.127,488 1.051,489 0.952,490 0.788,491 1.006,492 0.926,493 1.072,494 0.973,495 0.907,496 1.031,497 1.002,498 1.091,499 0.946,500 1.074,501 0.849,502 0.987,503 0.944,504 1.029,505 0.909,506 1.01,507 10,508 0.462,509 4.222,510 3.41,511 2.548,512 1.646,513 1.111,514 0.991,515 0.803,516 0.458,517 32368,518 83519,519 2.006,520 49.4,521 9,522 23,525 3,527 6,528 2,529 1.829,530 1.859,531 3.837,532 0.673,535 132.927,536 1.528,537 3.578,538 5.04,539 5.604,540 5.658,541 5.681,542 3.35,543 4.897,544 5.426,545 4.06,546 3840.68,547 9.652,548 72538.5,552 560.536,553 1.473,554 5.378,555 0.213,556 0.008,557 0.066,558 0.052,559 0.037,560 0.023,561 0.015,562 0.013,563 0.011,564 0.007,565 0.445,566 0.17,567 0.63,568 1.225,569 255.669,570 -0.038,571 -0.054,572 0.027,573 -0.001,574 -0.047,575 0.021,576 0.003,577 -0.066,578 0.013,579 -0.036,580 0.036,581 -0.016,582 -0.022,583 -0.073,584 -0.038,585 -0.092,586 -0.02,587 -0.072,588 -0.018,589 0.039,590 0.074,591 0.062,592 0.012,593 0.083,594 -0.053,595 -0.06,596 -0.078,597 -0.074,598 -0.032,599 -0.077,600 0.037,601 0.09,602 -0.023,603 0.043,604 -0.012,606 0.023,607 -0.075,608 -0.034,609 -0.079,610 0.007,611 -0.071,612 0.117,613 -0.016,614 0.041,615 -0.046,616 0.102,617 -0.024,618 2.425,619 6.63,620 0.523,621 62.027,622 1.002,623 1.135,624 4.284,625 18.355,626 0.64,627 3.871,628 4.174,629 4.394,630 4.635,631 4.796,632 4.852,633 4.927,634 5.056,635 5.165,636 5.231,637 9.068,638 0.606,639 607.81,640 3.871,641 5.407,642 6.236,643 7.102,644 7.949,645 8.82,646 9.674,647 10.547,648 11.405,649 12.28,650 3.4,652 1,657 2,662 11,666 7,667 18,668 1,669 1,675 2,676 87,677 20,678 3,679 47,680 90,681 35,682 18,683 7,684 11,685 2,686 4,687 4,690 3,694 3,697 8,698 20,699 15,701 2,704 2,708 2,712 2,713 43,714 9,715 3,716 9,719 3,721 1,722 4,724 1,729 1,731 1,732 3,748 1,751 1,752 1,753 4,756 3,758 2,759 44,762 1,763 8,764 2,765 1,767 4,768 1,771 2,772 4.6,773 1,775 2,776 1,778 23.667,779 15.936,780 9.889,781 5.589,783 2.149,784 1.267,785 0.931,786 12.309,787 10.203,788 4.078,789 4.59,790 5.051,791 5.525,792 5.964,793 6.015,794 6.169,795 6.307,796 6.51,797 6.717,798 1,799 66,800 16.629,801 7.242,802 7.928,803 31.245,804 25.688,805 2.428,806 106.833,809 470.844,810 195.341,811 39.146,813 103.973,814 29.92,816 195.341,817 574.817,818 69.066,819 26.476,820 42.183,821 164.933,822 70.699,823 34.17,824 29.92,825 470.844,827 470.844,828 234.487,829 133.893,831 406.595,832 144.459,833 53.683,835 86.669,836 147.818,839 500.764,840 143.119,841 195.341,844 470.844,845 64.627,846 133.839,847 36.022,848 133.893,849 470.844,850 173.039,851 195.341,852 0.572,853 0.328,854 0.18,855 0.097,856 26,857 14,858 0.156,859 14,861 1,862 5.119,863 441.261,865 23,866 224.215,870 33.579,871 16.129,872 9.592,874 173.039,875 17.976,879 1.297,880 78.705,881 839.224,882 58,885 26.929,889 -0.633,891 87.196,892 98.731,893 0.237,894 0.555,895 0.782,896 0.87,897 0.878,898 0.882,899 5.321,900 2.013,901 6.217,902 6.521,903 4.86,904 5.278,905 2.207,906 6.993,907 4.798,908 6.492,909 1.92,910 7.757,911 5.865,912 4.443,913 5.007,914 0.325,915 7.791,916 4.346,917 7.773,918 1.879,919 9.392,920 5.383,921 6.425,922 7.324,923 2.361,924 10.874,925 6.311,926 9.081,927 1.693,928 11.081,929 5.023,930 6.792,931 7.807,932 0.653,933 12.461,934 6.649,935 10.419,936 1.481,937 12.805,938 4.963,939 8.249,940 9.649,941 2.577,942 15.057,943 8.09,944 11.775,945 1.247,946 14.553,947 3.28,948 8.983,949 10.496,950 1.001,951 16.997,952 8.798,953 13.147,954 1.203,955 16.319,956 3.111,957 10.224,958 12.127,959 2.812,960 19.407,961 10.022,962 3.071,963 1.028,964 18.099,965 2.324,966 11.138,967 13.178,968 1.37,969 21.519,970 10.913,971 3.005,972 9.953,973 19.889,974 2.136,975 12.286,976 14.697,977 3.058,978 23.852,979 12.045,980 2.767,981 9.803,982 21.689,983 3.996,984 13.29,985 15.868,986 1.754,987 26.048,988 13.026,989 2.732,990 8.634,991 23.497,992 3.813,993 14.401,994 17.323,995 3.316,996 28.351,997 14.121,998 2.561,999 8.021,1000 25.311,1001 3.446,1002 15.449,1003 18.569,1004 2.143,1005 30.59,1006 15.149,1007 2.428,1008 7.35,1009 27.131,1010 3.321,1011 16.547,1012 19.986,1013 3.584,1014 32.88,1015 16.23,1016 2.232,1017 6.918,1018 28.956,1019 3.017,1020 17.619,1021 21.279,1022 2.535,1023 35.141,1024 17.283,1025 31481,1026 50861,1027 30.63,1028 55.699,1029 69.484,1030 72.172,1031 72.091,1032 69.253,1033 69.146,1034 84.429,1035 8.204,1036 193.429,1037 66.895,1038 5.357,1039 5.702,1040 6.253,1041 5.132,1042 5.071,1043 6.996,1044 2.351,1045 16.935,1046 5.034,1047 26.233,1048 1.478,1049 1.536,1050 1.534,1051 1.473,1052 1.471,1053 1.796,1054 0.175,1055 4.116,1056 1.423,1057 4.033,1058 4.065,1059 3.975,1060 3.941,1061 8.211,1062 3.944,1063 3.939,1064 3.967,1065 3.89,1066 3.863,1067 8.191,1068 3.864,1069 3.911,1070 3.94,1071 3.842,1072 3.84,1073 7.431,1074 3.836,1075 3.836,1076 3.882,1077 3.745,1078 3.696,1079 7.425,1080 3.701,1081 3.734,1082 3.8,1083 3.616,1084 3.56,1085 6.448,1086 3.56,1087 3.569,1088 3.621,1089 3.468,1090 3.383,1091 4.797,1092 3.395,1093 3.501,1094 3.586,1095 3.279,1096 3.348,1097 4.668,1098 3.32,1099 3.302,1100 3.351,1101 3.213,1102 3.118,1103 4.555,1104 3.125,1105 0.093,1106 0.079,1107 0.137,1108 0.086,1109 0.065,1110 4.378,1111 0.085,1112 3.702,1113 0.026,1114 6.451,1115 0.212,1116 4.056,1117 0.065,1118 3.071,1119 3.996,1120 1.2,1121 9.953,1122 3.034,1123 1.956,1124 1.935,1125 2.055,1126 2.061,1127 1.341,1128 2.058,1129 1.91,1130 1.886,1131 2.035,1132 2.013,1133 1.254,1134 2.016,1135 1.905,1136 1.877,1137 2.017,1138 1.996,1139 1.179,1140 2.009,1141 1.712,1142 1.65,1143 1.957,1144 1.909,1145 1.149,1146 1.925,1147 1.679,1148 1.63,1149 1.861,1150 1.855,1151 1.117,1152 1.855,1153 1.539,1154 1.47,1155 1.853,1156 1.746,1157 1.09,1158 1.785,1159 1.522,1160 1.459,1161 1.745,1162 1.738,1163 1.002,1164 1.75,1165 1.347,1166 1.283,1167 1.585,1168 1.606,1169 0.793,1170 1.598,1171 4.554,1173 5.861,1174 2.398,1175 7.344,1176 4.595,1177 8.91,1178 6.581,1179 10.521,1180 5.84,1182 28.137,1184 11.515,1185 4.298,1186 6.193,1187 6.056,1189 -2.556,1190 1.781,1192 52.753,1193 132.927,1194 311.282,1195 438.443,1196 487.517,1197 492.271,1198 494.271,1199 162.665,1200 8.054,1201 90.9,1202 90.9,1203 23,1204 12.823,1205 4.392,1206 3.585,1207 84.629,1208 226,1209 282,1210 0.168,1211 323.492,1212 583.18,1213 781.08,1214 37212,1215 2.3,1216 31.639,1217 0.719,1218 0.584,1219 29.899,1220 25.692,1221 21.159,1222 0.45,1223 0.328,1224 15.202,1225 20.373,1226 14.803,1227 12.321,1228 20.372,1229 15.402,1230 18.901,1231 0.295,1232 0.181,1233 17.621,1234 11.601,1235 14.99,1236 0.187,1237 0.098,1238 14.439,1239 7.833,1240 12.517,1241 0.123,1242 0.056,1243 11.634,1244 5.755,1245 9.464,1246 0.079,1247 0.031,1248 9.245,1249 3.696,1250 0.266,1251 132.766,1252 0.181,1253 38.815,1254 0.458,1255 222,1256 729.889,1257 245.926,1258 647.506,1259 847.99,1260 602,1261 255,1262 585.955,1263 278.279,1264 582.759,1265 849.13,1266 547,1267 8.301} {0 CHEMBL287423,1 1.725,2 16.904,3 2.542,4 6.463,5 189.691,6 7.26,7 0.109,8 4.722,9 4.845,10 4.325,11 4.168,12 5.741,13 4.144,14 5.351,15 5.536,16 4.654,17 4.574,18 6.566,19 4.522,20 5.682,21 5.912,22 4.779,23 4.773,24 6.913,25 4.675,26 5.754,27 5.993,28 4.78,29 4.769,30 6.907,31 4.683,32 5.771,33 6.007,34 4.86,35 4.741,36 7.137,37 4.7,38 5.735,39 5.943,40 4.936,41 4.809,42 7.058,43 4.775,44 5.85,45 6.049,46 5.025,47 4.892,48 7.185,49 4.872,50 5.923,51 6.13,52 5.008,53 4.943,54 7.321,55 4.91,56 0.233,57 1.626,58 26.659,59 9.665,60 42.74,61 13.125,62 1.275,63 2.695,64 50.42,65 16.386,66 160.67,67 22.554,68 2.121,69 3.127,70 77.539,71 22.569,72 307.989,73 31.389,74 1.848,75 3.244,76 86.171,77 22.789,78 294.587,79 32.373,80 2.706,81 3.322,82 83.563,83 21.272,84 421.235,85 29.98,86 2.116,87 3.527,88 79.998,89 22.119,90 328.362,91 29.767,92 2.379,93 4.008,94 91.604,95 24.432,96 382.876,97 32.042,98 3.093,99 4.327,100 96.736,101 26.668,102 493.329,103 34.368,104 84,105 75,106 0.251,107 0.519,108 0.721,109 0.824,110 0.855,111 0.855,112 3.973,113 1.061,114 -1.88,115 -1.93,116 -1.94,117 33.7,119 8,120 1,123 10,125 3,128 1,130 1,131 1,135 5,136 1,144 1,145 3,154 16,156 3,160 6,162 3,163 17,166 2,167 3,169 4,170 2,171 5,174 10,177 1,178 8,181 1,183 7,186 2,189 8,190 11,192 6,193 1,194 10,197 2,201 16,204 3,205 1,206 8,208 4,211 2,212 19,215 1,217 7,220 8,223 6,224 16,226 6,227 1,228 8,231 11,236 13,239 1,241 6,243 12,246 7238,247 34.462,248 34.462,249 34.462,250 34.462,251 34.462,252 32.797,253 38,254 20.818,255 35.183,256 27.095,257 27.095,258 27.095,259 27.095,260 27.095,261 24.257,262 42.692,263 9.833,264 28.193,265 4.976,266 3.132,267 1.744,268 1.041,269 0.827,270 0.827,271 4.657,276 1845,277 6.708,280 945.432,285 2.519,286 114.823,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 118,297 879,298 4.803,299 4.65,300 7.668,301 4.449,302 3.517,303 4.56,304 3.524,305 13.509,306 3.342,307 4.63,308 3.824,309 7.311,310 4.381,311 3.397,312 3.81,313 1.989,314 12.526,315 3.271,316 4.07,317 3.677,318 6.179,319 3.878,320 2.894,321 3.469,322 1.937,323 9.109,324 2.841,325 3.937,326 3.47,327 6.015,328 3.708,329 2.718,330 3.202,331 1.898,332 8.514,333 2.681,334 3.755,335 3.419,336 5.844,337 3.579,338 2.583,339 2.956,340 1.266,341 7.902,342 2.567,343 3.634,344 2.899,345 5.343,346 3.437,347 2.521,348 2.73,349 0.86,350 6.968,351 2.368,352 3.521,353 2.852,354 5.316,355 3.37,356 2.369,357 2.522,358 0.86,359 6.734,360 2.309,361 3.388,362 2.734,363 5.289,364 3.234,365 2.236,366 2.428,367 0.8,368 6.559,369 2.221,370 3.126,371 2.522,372 4.915,373 2.94,374 2.013,375 2.134,376 0.4,377 5.344,378 1.857,379 2.955,380 2.463,381 4.777,382 2.707,383 1.759,384 2.088,385 0.357,386 4.609,387 1.656,388 2.902,389 2.262,390 4.255,391 2.535,392 1.545,393 1.915,394 0.182,395 3.83,396 1.525,397 2.781,398 2.175,399 3.928,400 2.462,401 1.496,402 1.733,403 0.087,404 3.217,405 1.46,406 2.548,407 1.997,408 3.755,409 2.431,410 1.459,411 1.534,412 0.021,413 3.165,414 1.394,415 2.5,416 1.975,417 3.642,418 2.307,419 1.36,420 1.5,422 3.035,423 1.257,424 2.498,425 1.674,426 3.63,427 2.187,428 1.254,429 1.432,431 2.869,432 1.165,433 23.971,434 0.461,435 1.357,436 0.026,437 49.5,438 0.952,439 16,440 0.308,441 33.5,442 0.644,443 70.159,444 1.349,445 63.029,446 0.606,447 57.969,448 1.115,449 9.541,450 0.183,451 15.36,452 0.295,453 0.128,454 0.056,455 0.221,456 2,459 0.629,460 1.47,461 0.83,462 1.45,463 0.576,464 1.172,465 0.746,466 1.161,467 0.944,468 1.142,469 0.551,470 1.126,471 0.733,472 0.935,473 1.035,474 1.08,475 0.686,476 1.04,477 1.011,478 1.094,479 1.068,480 1.147,481 1.167,482 1.02,483 1.187,484 1.007,485 0.912,486 0.793,487 1.315,488 0.818,489 1.25,490 1.145,491 1.035,492 1.003,493 1.371,494 0.941,495 1.556,496 1.276,497 1.148,498 1.057,499 1.778,500 0.976,501 1.6,502 1.274,503 1.191,504 0.97,505 1.764,506 1.011,507 11.5,508 0.504,509 6.444,510 3.75,511 3.102,512 2.264,513 1.898,514 1.535,515 1.004,516 0.645,517 50059,518 141875,519 1.985,520 50,521 11,522 31,525 4,527 6,529 1.868,530 1.846,531 3.953,532 1.364,535 179.388,536 1.725,537 3.568,538 4.956,539 5.659,540 5.874,541 5.874,542 3.426,543 5.147,544 5.67,545 4.183,546 5546.47,547 10.146,548 117176,552 696.846,553 1.551,554 5.615,555 0.209,556 0.006,557 0.086,558 0.047,559 0.039,560 0.025,561 0.02,562 0.015,563 0.01,564 0.007,565 0.463,566 0.17,567 0.63,568 0.767,569 315.913,570 -0.002,571 -0.205,572 0.139,573 -0.125,574 -0.054,575 -0.014,576 0.124,577 -0.025,578 -0.005,579 -0.061,580 0.146,581 -0.09,582 0.161,583 0.07,584 0.014,585 -0.014,586 0.166,587 -0.029,588 -0.037,589 -0.114,590 0.009,591 -0.096,592 -0.058,593 -0.023,594 0.043,595 0.046,596 0.087,597 0.119,598 0.041,599 0.113,600 -0.055,601 0.009,602 0.011,603 0.023,604 -0.045,605 0.033,606 -0.191,607 -0.069,608 -0.07,609 -0.024,610 -0.191,611 -0.012,612 -0.146,613 0.05,614 -0.162,615 0.014,616 -0.127,617 -0.062,618 5.687,619 7.505,620 0.462,621 75.623,622 1.015,623 1.146,624 0.645,625 0.417,626 0.62,627 4.025,628 4.331,629 4.533,630 4.682,631 4.852,632 4.82,633 4.934,634 5.004,635 5.05,636 5.043,637 9.913,638 0.591,639 755,640 4.025,641 5.565,642 6.389,643 7.249,644 8.093,645 8.959,646 9.813,647 10.683,648 11.542,649 12.415,650 5.8,652 1,653 2,657 3,662 5,666 1,667 6,676 104,677 13,678 1,679 55,680 107,681 35,682 6,683 1,684 5,686 4,687 4,692 1,694 5,695 1,697 12,698 12,699 23,700 1,701 7,702 1,703 1,704 6,706 1,708 4,712 2,713 52,714 16,715 4,716 17,717 1,719 6,721 1,722 8,732 4,738 1,740 3,744 1,745 1,749 1,752 2,753 4,755 1,758 2,759 52,761 1,763 18,764 4,765 2,767 4,768 2,769 1,771 2,772 7.7,775 6,776 2,778 28.167,779 17.519,780 11.625,781 6.459,783 0.714,784 1.091,785 0.927,786 16.6,787 8.542,788 4.19,789 4.61,790 4.888,791 5.122,792 5.436,793 5.332,794 5.507,795 5.702,796 5.842,797 5.868,798 1,799 80,800 20.749,801 10.115,802 8.131,803 36.781,804 30.608,805 2.631,806 136.833,809 565.013,810 153.73,811 75.08,813 166.892,814 29.92,815 5.569,816 148.161,817 731.905,818 105,820 121.079,821 78.831,822 186.14,823 39.573,825 565.013,827 565.013,828 223.242,829 196.813,830 5.569,831 494.386,832 245.439,833 22,834 1.824,835 126.36,836 85.581,837 15.045,839 594.933,840 241.973,841 153.73,843 5.569,844 566.837,845 73.713,846 61.5,847 70.437,848 212.58,849 565.013,850 271.893,851 153.73,852 0.576,853 0.331,854 0.166,855 0.09,856 29,857 15,858 0.178,859 19,861 1,862 5.595,863 554.113,865 24,866 276.423,869 1,870 41.931,871 20.586,872 12.926,874 271.893,875 8.677,879 0.639,880 70.437,881 990.636,882 65,883 3.644,884 -4.153,885 80.181,887 1.336,889 -5.275,891 105.537,892 119.229,893 0.257,894 0.533,895 0.74,896 0.845,897 0.877,898 0.877,899 5.457,900 2.236,901 6.395,902 6.734,903 5.017,904 5.298,905 3.832,906 7.223,907 4.947,908 6.619,909 2.013,910 7.98,911 6.559,912 4.745,913 5.27,914 3.845,915 8.468,916 4.638,917 7.927,918 1.759,919 9.693,920 5.344,921 6.678,922 7.325,923 5.469,924 11.513,925 6.54,926 9.276,927 1.545,928 11.489,929 4.609,930 7.266,931 8.195,932 6.361,933 13.634,934 7.085,935 10.673,936 1.496,937 13.341,938 3.83,939 8.712,940 9.818,941 7.681,942 16.319,943 8.494,944 12.101,945 1.459,946 15.234,947 3.217,948 9.668,949 11.051,950 8.845,951 18.74,952 9.402,953 13.555,954 1.36,955 17.156,956 3.165,957 10.953,958 12.565,959 10.111,960 21.343,961 10.644,962 3.517,963 1.254,964 19.1,965 3.035,966 12.068,967 13.945,968 11.347,969 23.866,970 11.708,971 3.397,972 13.509,973 21.062,974 2.869,975 13.305,976 15.439,977 12.606,978 26.451,979 12.899,980 2.894,981 12.526,982 23.036,983 4.56,984 14.488,985 16.883,986 13.859,987 29.011,988 14.03,989 2.718,990 9.109,991 25.021,992 3.81,993 15.716,994 18.377,995 15.118,996 31.593,997 15.21,998 2.583,999 8.514,1000 27.013,1001 3.469,1002 16.929,1003 19.854,1004 16.376,1005 34.167,1006 16.372,1007 2.521,1008 7.902,1009 29.013,1010 3.202,1011 18.16,1012 21.353,1013 17.636,1014 36.751,1015 17.553,1016 2.369,1017 6.968,1018 31.017,1019 2.956,1020 19.388,1021 22.846,1022 18.895,1023 39.332,1024 18.729,1025 48401,1026 81836,1027 35.652,1028 64.466,1029 81.752,1030 84.574,1031 83.246,1032 80.941,1033 80.83,1034 92.589,1035 28.365,1036 227.734,1037 77.886,1038 5.803,1039 6.65,1040 7.47,1041 5.552,1042 5.517,1043 7.56,1044 5.246,1045 21.662,1046 5.342,1047 29.902,1048 1.486,1049 1.538,1050 1.514,1051 1.472,1052 1.47,1053 1.683,1054 0.516,1055 4.141,1056 1.416,1057 4.055,1058 4.07,1059 4.723,1060 3.952,1061 8.363,1062 3.904,1063 3.94,1064 3.973,1065 3.893,1066 3.834,1067 7.999,1068 3.804,1069 3.893,1070 3.917,1071 3.829,1072 3.812,1073 7.717,1074 3.771,1075 3.824,1076 3.886,1077 3.709,1078 3.639,1079 7.436,1080 3.647,1081 3.786,1082 3.835,1083 3.687,1084 3.596,1085 7.426,1086 3.61,1087 3.724,1088 3.759,1089 3.66,1090 3.523,1091 7.423,1092 3.547,1093 3.612,1094 3.65,1095 3.528,1096 3.418,1097 7.411,1098 3.422,1099 3.515,1100 3.578,1101 3.435,1102 3.299,1103 6.999,1104 3.313,1105 0.087,1106 0.085,1107 0.139,1108 0.081,1109 0.064,1110 4.803,1111 0.083,1112 4.65,1113 0.064,1114 7.668,1115 0.246,1116 4.449,1117 0.061,1118 3.517,1119 4.56,1120 3.524,1121 13.509,1122 3.342,1123 1.931,1124 1.905,1125 2.123,1126 2.061,1127 1.529,1128 2.079,1129 1.911,1130 1.861,1131 2.055,1132 2.045,1133 1.269,1134 2.064,1135 1.795,1136 1.787,1137 1.965,1138 1.997,1139 1.261,1140 1.994,1141 1.753,1142 1.701,1143 1.925,1144 1.977,1145 1.207,1146 1.991,1147 1.737,1148 1.682,1149 1.9,1150 1.935,1151 1.152,1152 1.93,1153 1.631,1154 1.596,1155 1.797,1156 1.859,1157 1.09,1158 1.831,1159 1.542,1160 1.498,1161 1.715,1162 1.751,1163 0.971,1164 1.758,1165 1.461,1166 1.397,1167 1.711,1168 1.707,1169 0.906,1170 1.715,1171 4.71,1173 6.019,1175 7.517,1177 9.095,1179 10.715,1182 31.01,1185 6.61,1186 9.578,1187 10.528,1189 -4.616,1190 3.109,1191 -4.437,1192 61.444,1193 179.388,1194 371.075,1195 515.423,1196 588.581,1197 610.846,1198 610.846,1199 263.422,1200 7.828,1201 175.48,1202 183.86,1203 24,1204 12.959,1205 3.807,1206 3.459,1207 110.625,1208 305,1209 366,1210 0.167,1211 379.773,1212 699.57,1213 918.405,1214 27375,1215 1.9,1216 37.564,1217 0.722,1218 0.584,1219 36.021,1220 30.35,1221 24.901,1222 0.453,1223 0.354,1224 17.797,1225 22.855,1226 17.463,1227 14.296,1228 24.961,1229 19.456,1230 22.448,1231 0.299,1232 0.202,1233 22.556,1234 15.114,1235 17.963,1236 0.195,1237 0.122,1238 17.542,1239 11.202,1240 13.412,1241 0.125,1242 0.074,1243 14.084,1244 7.932,1245 10.513,1246 0.083,1247 0.043,1248 11.317,1249 5.465,1250 0.264,1251 167.243,1252 0.167,1253 44.173,1254 0.454,1255 260,1256 967.589,1257 339.014,1258 865.827,1259 1108.86,1260 798,1261 297,1262 714.333,1263 386.424,1264 733.424,1265 1083.93,1266 688,1267 9.301} {0 CHEMBL296588,1 1.482,2 17.813,3 2.596,4 6.74,5 179.643,6 6.18,8 4.732,9 4.878,10 4.062,11 4.127,12 5.789,13 4.079,14 5.326,15 5.544,16 4.427,17 4.524,18 6.358,19 4.437,20 5.696,21 5.935,22 4.56,23 4.738,24 6.746,25 4.631,26 5.882,27 6.162,28 4.699,29 4.796,30 6.991,31 4.704,32 5.836,33 6.062,34 4.765,35 4.822,36 7.161,37 4.757,38 5.914,39 6.148,40 4.715,41 4.92,42 7.024,43 4.819,44 6.007,45 6.266,46 4.798,47 4.979,48 7.167,49 4.864,50 6.056,51 6.319,52 4.636,53 4.972,54 7.192,55 4.822,56 0.11,57 1.445,58 27.285,59 10.227,60 33.11,61 14.867,62 0.592,63 2.189,64 48.986,65 16.145,66 114.086,67 24.687,68 1.159,69 2.752,70 71.724,71 20.296,72 197.623,73 32.026,74 1.584,75 2.947,76 86.035,77 21.045,78 287.316,79 35.175,80 2.182,81 2.966,82 85.24,83 21.268,84 403.875,85 33.733,86 1.621,87 3.212,88 89.793,89 24.837,90 307.734,91 38.487,92 1.744,93 3.457,94 97.281,95 26.579,96 359.979,97 42.445,98 2.331,99 3.434,100 102.816,101 27.056,102 408.962,103 43.147,104 488,105 64,106 0.216,107 0.412,108 0.602,109 0.697,110 0.785,111 0.801,112 3.894,113 1.093,114 -1.81,115 -1.87,116 -1.88,117 30.6,118 11,119 5,120 5,125 7,145 6,151 1,153 1,154 13,155 1,157 3,160 6,162 10,163 11,167 4,169 3,170 5,171 14,172 1,174 2,178 11,181 2,182 2,183 12,184 1,186 4,187 1,189 3,190 12,192 7,193 2,194 11,197 10,198 1,201 8,202 1,204 1,205 3,206 13,208 14,209 2,211 2,212 11,215 3,216 1,217 15,218 1,220 19,221 1,223 1,224 10,226 6,227 3,228 6,231 11,236 9,237 1,240 1,241 8,243 12,244 1,246 6126,247 29.189,248 29.189,249 29.189,250 29.189,251 29.189,252 28.282,253 28.997,254 17.189,255 29.401,256 23.092,257 23.092,258 23.092,259 23.092,260 23.092,261 21.431,262 31.074,263 8.114,264 23.415,265 5.312,266 3.966,267 2.669,268 2.013,269 1.408,270 1.3,271 4.53,276 1640,277 8,285 2.862,286 94.62,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 107.5,297 855,298 4.158,299 3.847,300 6.446,301 4.02,302 3.036,303 3.307,304 2.341,305 9.852,306 2.979,307 4.025,308 3.765,309 6.279,310 3.888,311 2.913,312 3.17,313 1.991,314 9.259,315 2.839,316 3.985,317 3.701,318 6.137,319 3.86,320 2.882,321 3.115,322 1.97,323 8.981,324 2.812,325 3.834,326 3.618,327 6.046,328 3.731,329 2.748,330 2.924,331 1.937,332 8.635,333 2.689,334 3.733,335 3.553,336 5.832,337 3.615,338 2.632,339 2.824,340 1.891,341 7.881,342 2.577,343 3.627,344 3.531,345 5.177,346 3.429,347 2.414,348 2.773,349 1.888,350 6.439,351 2.442,352 3.501,353 2.903,354 5.055,355 3.253,356 2.246,357 2.588,358 0.368,359 6.067,360 2.251,361 3.41,362 2.885,363 4.829,364 3.204,365 2.199,366 2.484,367 0.313,368 5.538,369 2.195,370 3.091,371 2.483,372 4.716,373 3,374 2.006,375 2.1,376 0.207,377 4.95,378 1.986,379 3.032,380 2.364,381 4.632,382 2.914,383 1.92,384 2.033,385 0.062,386 4.769,387 1.89,388 3.019,389 2.137,390 4.6,391 2.833,392 1.82,393 2.02,394 0.033,395 4.612,396 1.831,397 2.963,398 2.134,399 4.481,400 2.799,401 1.788,402 1.959,404 4.483,405 1.798,406 2.927,407 2.097,408 4.303,409 2.777,410 1.77,411 1.921,413 4.241,414 1.771,415 2.422,416 2.006,417 3.999,418 2.237,419 1.276,420 1.364,422 3.266,423 1.214,424 2.117,425 1.528,426 3.764,427 2.004,428 1.05,429 1.084,431 2.663,432 0.992,433 22,434 0.458,435 1.869,436 0.039,437 37.25,438 0.776,439 9,440 0.188,441 28.25,442 0.589,443 80.27,444 1.672,445 61.4,446 0.553,447 41.465,448 0.864,449 6.211,450 0.129,451 15.835,452 0.33,453 0.386,455 0.409,459 0.801,460 1.65,461 1.041,462 1.474,463 0.713,464 1.318,465 0.529,466 1.443,467 0.876,468 1.318,469 0.519,470 1.183,471 0.993,472 1.253,473 1.11,474 1.217,475 1.005,476 1.188,477 1.022,478 0.959,479 0.852,480 0.839,481 0.945,482 0.798,483 1.356,484 1.004,485 1.168,486 0.984,487 1.37,488 1.021,489 1.374,490 1.092,491 1.187,492 1.078,493 1.414,494 1.098,495 0.975,496 1.129,497 0.981,498 1.073,499 0.938,500 1.031,501 1.182,502 0.982,503 1.221,504 1.05,505 1.198,506 1.13,507 15,508 0.446,509 5.778,510 4.375,511 3.44,512 1.889,513 2.082,514 1.063,515 0.716,516 0.74,517 36683,518 98839,519 1.744,520 56.8,521 33,522 7,525 8,526 6,527 9,529 1.845,530 1.548,531 4.07,532 4.387,535 164.499,536 1.482,537 2.828,538 4.125,539 4.781,540 5.386,541 5.494,542 3.531,543 5.022,544 5.556,545 4.313,546 4864.92,547 9.882,548 101656,552 754.18,553 1.528,554 5.431,555 0.319,556 0.007,557 0.09,558 0.064,559 0.043,560 0.023,561 0.026,562 0.012,563 0.011,564 0.011,565 0.607,566 0.17,567 0.5,568 2.919,569 289.96,570 -0.082,571 -0.103,572 -0.022,573 -0.025,574 -0.08,575 -0.013,576 0.172,577 -0.159,578 0.099,579 -0.088,580 0.11,581 -0.023,582 -0.022,583 -0.102,584 -0.093,585 -0.137,586 -0.086,587 -0.136,588 0.015,589 0.028,590 0.159,591 0.09,592 0.041,593 0.154,594 0.003,595 0.095,596 -0.07,597 0.018,598 0.031,599 -0.032,600 -0.168,601 -0.017,602 -0.137,603 -0.026,604 -0.17,605 -0.073,606 0.03,607 -0.088,608 0.022,609 -0.051,610 0.07,611 -0.018,612 -0.068,613 0.03,614 -0.197,615 -0.077,616 -0.074,617 -0.154,618 2.878,619 6.495,621 71.76,622 1.001,623 1.148,624 0.578,625 0.334,626 0.587,627 3.871,628 4.174,629 4.234,630 4.394,631 4.431,632 4.394,633 4.466,634 4.22,635 4.19,636 4.205,637 10.566,638 0.548,639 686.02,640 3.871,641 5.407,642 6.188,643 7.045,644 7.853,645 8.707,646 9.529,647 10.381,648 11.21,649 12.06,650 4.5,657 5,676 111,677 6,679 47,680 110,681 34,690 11,697 12,698 6,699 28,700 5,701 6,704 6,708 6,713 63,714 14,715 8,716 14,719 5,722 9,724 2,740 5,742 1,751 3,756 11,759 48,762 3,763 5,764 5,767 12,772 8.1,773 2,774 1,775 6,778 31,779 21.85,780 10.778,781 7.065,783 0.225,784 1.032,785 0.818,786 21.398,787 7.296,788 3.989,789 4.344,790 4.419,791 4.644,792 4.727,793 4.585,794 4.736,795 4.477,796 4.407,797 4.477,798 0.917,799 68,800 18.318,801 7.829,802 8.167,803 33.555,804 26.564,805 2.667,806 128,809 647.411,810 134.183,811 90.054,813 278.92,816 134.183,817 926.33,818 90.054,819 97.077,820 102.726,821 85.367,822 217.986,825 647.411,827 647.411,828 224.237,829 278.92,831 541.471,832 299.493,833 85.367,835 199.804,836 24.433,839 647.411,840 368.973,841 134.183,844 647.411,845 37.106,846 97.077,847 90.054,848 278.92,849 647.411,850 368.973,851 134.183,852 0.583,853 0.3,854 0.155,855 0.082,856 18,857 18,858 0.2,859 22,862 5.041,863 446.367,866 258.078,870 45.74,871 22.456,872 18.921,874 368.973,880 218.104,881 1150.57,882 53,885 75.946,889 -3.823,891 111.079,892 127.417,893 0.218,894 0.416,895 0.607,896 0.704,897 0.793,898 0.809,899 5.268,900 2.199,901 6.217,902 6.067,903 4.86,904 5.03,905 3.724,906 6.982,907 4.83,908 6.426,909 2.006,910 7.772,911 5.538,912 4.691,913 4.977,914 3.367,915 7.851,916 4.661,917 7.693,918 1.92,919 9.421,920 4.95,921 6.425,922 6.763,923 4.876,924 10.858,925 6.358,926 8.975,927 1.82,928 11.119,929 4.769,930 6.929,931 7.385,932 5.107,933 12.465,934 6.856,935 10.28,936 1.788,937 12.849,938 4.612,939 8.249,940 8.754,941 6.199,942 15.03,943 8.14,944 11.599,945 1.77,946 14.601,947 4.483,948 9.049,949 9.664,950 6.695,951 16.972,952 8.927,953 12.931,954 1.276,955 16.37,956 4.241,957 10.215,958 10.886,959 7.618,960 19.354,961 10.06,962 3.036,963 1.05,964 18.152,965 3.266,966 11.156,967 11.926,968 8.255,969 21.454,970 10.984,971 2.913,972 9.852,973 19.945,974 2.663,975 12.261,976 13.095,977 9.106,978 23.757,979 12.059,980 2.882,981 9.259,982 21.745,983 3.307,984 13.269,985 14.195,986 9.822,987 25.933,988 13.048,989 2.748,990 8.981,991 23.553,992 3.17,993 14.351,994 15.349,995 10.645,996 28.203,997 14.104,998 2.632,999 8.635,1000 25.366,1001 3.115,1002 15.394,1003 16.477,1004 11.408,1005 30.417,1006 15.124,1007 2.414,1008 7.881,1009 27.183,1010 2.924,1011 16.469,1012 17.629,1013 12.225,1014 32.675,1015 16.175,1016 2.246,1017 6.439,1018 29.004,1019 2.824,1020 17.529,1021 18.773,1022 13.017,1023 34.909,1024 17.213,1025 39135,1026 64499,1027 26.706,1028 65.2,1029 70.405,1030 74.774,1031 74.447,1032 69.446,1033 69.454,1034 75.796,1035 26.002,1036 193.325,1037 68.494,1038 5.148,1039 5.688,1040 5.446,1041 5.068,1042 5.027,1043 5.307,1044 3.925,1045 16.522,1046 4.901,1047 44.636,1048 1.498,1049 1.591,1050 1.584,1051 1.478,1052 1.478,1053 1.613,1054 0.553,1055 4.113,1056 1.457,1057 3.954,1058 4.004,1059 3.859,1060 3.785,1061 7.475,1062 3.792,1063 3.849,1064 3.898,1065 3.759,1066 3.69,1067 7.439,1068 3.694,1069 3.818,1070 3.868,1071 3.713,1072 3.667,1073 7.43,1074 3.668,1075 3.74,1076 3.794,1077 3.628,1078 3.596,1079 7.426,1080 3.59,1081 3.691,1082 3.748,1083 3.569,1084 3.539,1085 7.424,1086 3.526,1087 3.664,1088 3.728,1089 3.51,1090 3.511,1091 7.422,1092 3.515,1093 3.593,1094 3.639,1095 3.459,1096 3.413,1097 6.451,1098 3.414,1099 3.535,1100 3.588,1101 3.397,1102 3.356,1103 6.446,1104 3.357,1105 0.088,1106 0.082,1107 0.137,1108 0.086,1109 0.065,1110 4.158,1111 0.07,1112 3.847,1113 0.05,1114 6.446,1115 0.21,1116 4.02,1117 0.063,1118 3.036,1119 3.307,1120 2.341,1121 9.852,1122 2.979,1123 1.837,1124 1.788,1125 2.035,1126 2.029,1127 1.364,1128 2.026,1129 1.815,1130 1.765,1131 2.028,1132 2.002,1133 1.36,1134 2.006,1135 1.794,1136 1.743,1137 2.008,1138 1.975,1139 1.276,1140 1.986,1141 1.733,1142 1.677,1143 1.974,1144 1.909,1145 1.24,1146 1.931,1147 1.684,1148 1.623,1149 1.943,1150 1.867,1151 1.207,1152 1.886,1153 1.654,1154 1.599,1155 1.872,1156 1.851,1157 1.08,1158 1.875,1159 1.562,1160 1.513,1161 1.799,1162 1.779,1163 1.052,1164 1.788,1165 1.507,1166 1.453,1167 1.759,1168 1.726,1169 0.981,1170 1.738,1171 4.554,1173 5.861,1175 7.305,1177 8.82,1179 10.379,1180 19.818,1184 30.419,1185 -0.11,1186 13.445,1189 -7.695,1192 60.817,1193 164.499,1194 313.939,1195 457.893,1196 530.709,1197 597.876,1198 609.876,1199 1048.87,1200 7.071,1201 223.26,1202 223.26,1204 12.622,1205 2.807,1206 2.807,1207 415.622,1208 301,1209 292,1210 0.645,1211 389.283,1212 715.03,1213 941.611,1214 10287,1216 37.463,1217 0.78,1218 0.641,1219 37.463,1220 30.755,1221 22.045,1222 0.469,1223 0.364,1224 16.903,1225 21.112,1226 16.071,1227 13.711,1228 22.045,1229 17.127,1230 21.342,1231 0.333,1232 0.232,1233 21.342,1234 14.833,1235 13.236,1236 0.195,1237 0.113,1238 13.236,1239 7.69,1240 10.714,1241 0.134,1242 0.064,1243 10.714,1244 5.156,1245 7.152,1246 0.086,1247 0.037,1248 7.152,1249 3.094,1250 1.042,1251 139.509,1252 0.194,1253 42.012,1254 1.693,1255 222,1256 712.527,1257 251.976,1258 665.181,1259 832.4,1260 606,1261 243,1262 544.253,1263 269.964,1264 543.026,1265 775.35,1266 505,1267 9.547} {0 CHEMBL313773,1 1.674,2 15.51,3 4.117,4 16.95,5 181.559,6 7,7 0.118,8 4.687,9 4.814,10 4.256,11 4.142,12 5.7,13 4.103,14 5.308,15 5.496,16 4.589,17 4.551,18 6.512,19 4.48,20 5.665,21 5.899,22 4.737,23 4.75,24 6.878,25 4.643,26 5.769,27 6.018,28 4.752,29 4.752,30 6.912,31 4.662,32 5.765,33 6.002,34 4.839,35 4.738,36 7.121,37 4.691,38 5.751,39 5.958,40 4.923,41 4.823,42 7.063,43 4.782,44 5.907,45 6.125,46 4.982,47 4.912,48 7.207,49 4.872,50 5.944,51 6.167,52 4.929,53 4.958,54 7.264,55 4.893,56 0.2,57 1.569,58 27.211,59 9.803,60 43.786,61 13.367,62 1.076,63 2.61,64 49.331,65 16.832,66 160.924,67 23.09,68 1.87,69 3.099,70 76.802,71 22.595,72 296.242,73 31.499,74 1.829,75 3.249,76 88.358,77 22.348,78 295.015,79 32.123,80 2.482,81 3.289,82 83.226,83 21.452,84 410.538,85 30.242,86 1.78,87 3.606,88 81.839,89 23.121,90 329.08,91 30.991,92 2.409,93 4.185,94 99.262,95 25.808,96 408.051,97 34.369,98 2.779,99 4.127,100 99.393,101 27.385,102 461.19,103 37.054,104 135,105 70,106 0.245,107 0.534,108 0.757,109 0.846,110 0.87,111 0.87,112 3.915,113 1.098,114 -3.19,115 -3.18,116 -3.05,117 33.3,118 2,119 9,120 2,123 5,125 4,128 1,130 1,131 1,135 5,136 1,145 3,154 19,156 3,160 6,162 4,163 19,166 1,167 2,169 2,170 3,171 8,174 11,178 8,181 1,182 1,183 9,186 2,189 6,190 11,192 7,193 1,194 12,197 2,201 14,204 1,205 2,206 12,208 4,211 1,212 17,215 1,217 12,220 9,223 4,224 14,226 6,227 1,228 12,231 14,236 12,240 1,241 8,243 17,246 5995,247 32.056,248 32.056,249 32.056,250 32.056,251 32.056,252 30.483,253 32.183,254 19.149,255 32.539,256 25.006,257 25.006,258 25.006,259 25.006,260 25.006,261 22.396,262 36.923,263 8.939,264 25.81,265 4.998,266 3.031,267 1.512,268 0.905,269 0.74,270 0.74,271 4.588,276 1561,277 6.892,280 663.742,285 2.132,286 107.607,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 110.5,297 760,298 4.803,299 4.441,300 7.668,301 4.428,302 3.517,303 4.56,304 2.718,305 13.509,306 3.342,307 4.572,308 3.821,309 7.311,310 4.381,311 3.397,312 3.669,313 1.984,314 12.526,315 3.189,316 4.07,317 3.666,318 6.179,319 3.878,320 2.894,321 3.469,322 1.924,323 9.109,324 2.841,325 3.936,326 3.421,327 6.016,328 3.707,329 2.719,330 3.201,331 1.232,332 8.514,333 2.681,334 3.746,335 3.114,336 5.845,337 3.577,338 2.583,339 2.948,340 0.86,341 7.903,342 2.565,343 3.612,344 2.736,345 5.321,346 3.372,347 2.374,348 2.65,349 0.4,350 6.734,351 2.368,352 3.384,353 2.7,354 5.289,355 3.341,356 2.35,357 2.396,358 0.349,359 6.572,360 2.323,361 3.255,362 2.463,363 5.008,364 3.188,365 2.209,366 2.263,367 0.148,368 5.921,369 2.155,370 3.125,371 2.362,372 4.913,373 2.94,374 2.012,375 2.133,376 0.083,377 5.343,378 1.857,379 2.941,380 2.336,381 4.741,382 2.623,383 1.65,384 2.086,386 4.448,387 1.587,388 2.882,389 2.232,390 4.249,391 2.524,392 1.527,393 1.87,395 3.784,396 1.515,397 2.752,398 1.995,399 3.918,400 2.462,401 1.459,402 1.697,404 3.184,405 1.46,406 2.5,407 1.674,408 3.695,409 2.326,410 1.349,411 1.5,413 3.04,414 1.299,415 2.498,416 1.515,417 3.642,418 2.187,419 1.254,420 1.43,422 2.868,423 1.165,424 2.414,425 1.453,426 3.524,427 2.014,428 1.099,429 1.398,431 2.597,432 1,433 22.738,434 0.464,435 1.395,436 0.028,437 44.75,438 0.913,439 14.5,440 0.296,441 30.25,442 0.617,443 70.139,444 1.431,445 60.062,446 0.589,447 51.042,448 1.042,449 8.111,450 0.166,451 15.166,452 0.31,453 0.179,454 0.059,455 0.237,456 2,459 0.638,460 1.411,461 0.878,462 1.429,463 0.631,464 1.188,465 0.636,466 1.186,467 0.92,468 1.195,469 0.559,470 1.168,471 0.746,472 1.031,473 1.03,474 1.126,475 0.736,476 1.062,477 1.142,478 1.058,479 1.092,480 1.067,481 1.232,482 0.962,483 1.244,484 1,485 0.916,486 0.794,487 1.343,488 0.816,489 1.349,490 1.26,491 1.056,492 1.058,493 1.386,494 0.984,495 1.714,496 1.289,497 1.201,498 1.013,499 1.788,500 0.969,501 1.502,502 1.132,503 1.161,504 0.941,505 1.55,506 1.008,507 12,508 0.537,509 6.667,510 3.688,511 3.191,512 2.34,513 1.797,514 1.437,515 0.843,516 0.669,517 39425,518 108218,519 1.929,520 52,521 19,522 22,525 5,527 7,529 1.856,530 1.771,531 3.849,532 2.066,535 170.773,536 1.674,537 3.641,538 5.161,539 5.768,540 5.932,541 5.932,542 3.308,543 5.207,544 5.587,545 4.057,546 4770.62,547 9.983,548 95718.8,552 680.587,553 1.651,554 5.513,555 0.235,556 0.007,557 0.095,558 0.049,559 0.042,560 0.027,561 0.019,562 0.015,563 0.009,564 0.008,565 0.504,566 0.17,567 0.63,568 1.548,569 291.558,570 -0.004,571 -0.14,572 0.131,573 -0.078,574 -0.077,575 0.005,576 0.197,577 -0.037,578 0.028,579 -0.078,580 0.159,581 -0.094,582 0.183,583 0.016,584 0.03,585 -0.048,586 0.151,587 -0.043,588 -0.062,589 -0.056,590 0.005,591 -0.049,592 -0.085,593 0.008,594 0.053,595 0.06,596 0.091,597 0.117,598 0.041,599 0.113,600 -0.087,601 -0.109,602 0.001,603 -0.024,604 -0.041,606 -0.218,607 0.003,608 -0.1,609 -0.001,610 -0.192,611 -0.015,612 -0.127,613 0.068,614 -0.146,615 0.026,616 -0.1,617 -0.051,618 5.462,619 7.427,620 0.367,621 63.55,622 1.01,623 1.146,624 1.957,625 3.83,626 0.615,627 3.951,628 4.263,629 4.454,630 4.585,631 4.762,632 4.762,633 4.852,634 4.905,635 4.942,636 4.934,637 9.222,638 0.581,639 713.99,640 3.951,641 5.493,642 6.315,643 7.179,644 8.025,645 8.894,646 9.75,647 10.624,648 11.486,649 12.363,650 4.9,652 1,653 1,657 3,662 5,666 1,667 6,676 102,677 12,678 1,679 51,680 104,681 34,682 6,683 1,684 5,686 3,687 3,690 2,692 1,694 5,695 1,697 14,698 11,699 23,700 2,701 6,702 1,703 1,704 5,706 1,708 3,712 2,713 53,714 14,715 5,716 15,717 1,719 5,721 1,722 7,724 1,732 3,740 3,744 1,745 1,751 1,752 1,753 3,755 1,756 2,758 2,759 49,761 1,762 1,763 14,764 4,765 1,767 6,768 1,769 1,771 2,772 6.9,773 1,775 5,776 1,778 27.667,779 17.602,780 11.042,781 6.483,783 0.75,784 1.099,785 0.9,786 16.563,787 8.347,788 4.111,789 4.538,790 4.794,791 5.028,792 5.363,793 5.267,794 5.431,795 5.614,796 5.77,797 5.807,798 1,799 76,800 19.536,801 9.485,802 8.139,803 34.675,804 28.829,805 2.639,806 129.333,809 565.013,810 153.28,811 71.956,813 173.431,814 29.92,815 5.569,816 147.711,817 738.444,818 101.876,819 17.65,820 108.112,821 121.515,822 144.862,823 36.448,825 565.013,827 565.013,828 219.667,829 203.351,830 5.569,831 482.615,832 232.066,833 53.683,834 1.824,835 127.919,836 80.448,837 15.045,839 594.933,840 245.387,841 153.28,843 5.569,844 566.837,845 55.612,846 76.026,847 70.437,848 219.118,849 565.013,850 275.307,851 153.28,852 0.578,853 0.332,854 0.159,855 0.088,856 26,857 15,858 0.183,859 19,861 1,862 5.24,863 508.31,865 18,866 259.121,869 1,870 40.97,871 19.809,872 12.675,874 275.307,875 8.722,879 0.654,880 113.121,881 993.6,882 60,883 3.652,884 -4.132,885 66.485,887 1.359,889 -3.323,891 102.992,892 116.937,893 0.251,894 0.546,895 0.773,896 0.864,897 0.889,898 0.889,899 5.382,900 2.209,901 6.337,902 6.572,903 4.949,904 5.226,905 3.424,906 7.177,907 4.886,908 6.554,909 2.012,910 7.935,911 5.921,912 4.745,913 5.239,914 3.093,915 8.456,916 4.631,917 7.869,918 1.65,919 9.659,920 5.343,921 6.629,922 7.264,923 4.716,924 11.493,925 6.493,926 9.223,927 1.527,928 11.463,929 4.448,930 7.259,931 8.147,932 5.158,933 13.626,934 7.054,935 10.622,936 1.459,937 13.321,938 3.784,939 8.68,940 9.764,941 6.354,942 16.312,943 8.443,944 12.052,945 1.349,946 15.219,947 3.184,948 9.658,949 10.999,950 7.12,951 18.737,952 9.348,953 13.505,954 1.254,955 17.144,956 3.04,957 10.933,958 12.515,959 8.174,960 21.341,961 10.578,962 3.517,963 1.099,964 19.091,965 2.868,966 12.059,967 13.897,968 9.076,969 23.865,970 11.633,971 3.397,972 13.509,973 21.054,974 2.597,975 13.294,976 15.394,977 10.086,978 26.45,979 12.814,980 2.894,981 12.526,982 23.031,983 4.56,984 14.482,985 16.842,986 11.044,987 29.01,988 13.935,989 2.719,990 9.109,991 25.016,992 3.669,993 15.71,994 18.34,995 12.043,996 31.593,997 15.105,998 2.583,999 8.514,1000 27.01,1001 3.469,1002 16.926,1003 19.819,1004 13.024,1005 34.167,1006 16.257,1007 2.374,1008 7.903,1009 29.01,1010 3.201,1011 18.157,1012 21.322,1013 14.021,1014 36.751,1015 17.43,1016 2.35,1017 6.734,1018 31.015,1019 2.948,1020 19.386,1021 22.819,1022 15.013,1023 39.332,1024 18.598,1025 39195,1026 65303,1027 32.186,1028 62.768,1029 75.298,1030 78.249,1031 78.372,1032 74.803,1033 74.731,1034 85.448,1035 19.398,1036 213.062,1037 72.318,1038 5.803,1039 6.441,1040 7.47,1041 5.531,1042 5.517,1043 7.56,1044 4.391,1045 21.664,1046 5.342,1047 32.342,1048 1.476,1049 1.534,1050 1.537,1051 1.467,1052 1.465,1053 1.675,1054 0.38,1055 4.178,1056 1.418,1057 4.054,1058 4.069,1059 4.723,1060 3.952,1061 8.361,1062 3.904,1063 3.939,1064 3.974,1065 3.885,1066 3.834,1067 7.999,1068 3.804,1069 3.893,1070 3.917,1071 3.823,1072 3.812,1073 7.717,1074 3.771,1075 3.806,1076 3.86,1077 3.697,1078 3.65,1079 7.433,1080 3.651,1081 3.771,1082 3.824,1083 3.685,1084 3.614,1085 7.423,1086 3.613,1087 3.683,1088 3.732,1089 3.557,1090 3.514,1091 7.421,1092 3.522,1093 3.61,1094 3.648,1095 3.528,1096 3.418,1097 6.999,1098 3.422,1099 3.46,1100 3.519,1101 3.422,1102 3.283,1103 6.444,1104 3.266,1105 0.094,1106 0.087,1107 0.15,1108 0.087,1109 0.069,1110 4.803,1111 0.089,1112 4.441,1113 0.053,1114 7.668,1115 0.265,1116 4.428,1117 0.066,1118 3.517,1119 4.56,1120 2.718,1121 13.509,1122 3.342,1123 1.931,1124 1.905,1125 2.125,1126 2.063,1127 1.533,1128 2.082,1129 1.913,1130 1.862,1131 2.055,1132 2.045,1133 1.311,1134 2.065,1135 1.795,1136 1.787,1137 2.012,1138 1.977,1139 1.269,1140 1.994,1141 1.771,1142 1.714,1143 1.927,1144 1.962,1145 1.209,1146 1.974,1147 1.738,1148 1.689,1149 1.9,1150 1.928,1151 1.195,1152 1.931,1153 1.632,1154 1.588,1155 1.822,1156 1.839,1157 1.108,1158 1.833,1159 1.542,1160 1.498,1161 1.711,1162 1.745,1163 0.906,1164 1.757,1165 1.383,1166 1.332,1167 1.648,1168 1.645,1169 0.828,1170 1.638,1171 4.635,1173 5.948,1175 7.448,1177 9.028,1179 10.651,1180 3.661,1182 30.854,1184 10.983,1185 5.308,1186 9.748,1187 5.251,1189 -6.847,1190 1.173,1191 -4.212,1192 59.234,1193 170.773,1194 371.43,1195 526.391,1196 588.323,1197 605.078,1198 605.078,1199 292.081,1200 7.596,1201 166.17,1202 174.55,1203 18,1204 12.904,1205 3.7,1206 3.322,1207 120.682,1208 269,1209 305,1210 0.209,1211 369.711,1212 677.48,1213 893.854,1214 19226,1215 2,1216 36.029,1217 0.735,1218 0.599,1219 34.486,1220 29.359,1221 23.277,1222 0.456,1223 0.366,1224 17.077,1225 21.486,1226 16.635,1227 13.774,1228 23.338,1229 18.669,1230 21.104,1231 0.301,1232 0.212,1233 21.211,1234 14.81,1235 16.778,1236 0.197,1237 0.128,1238 16.357,1239 10.866,1240 11.962,1241 0.123,1242 0.076,1243 12.626,1244 7.326,1245 9.441,1246 0.081,1247 0.044,1248 10.313,1249 5.097,1250 0.329,1251 155.888,1252 0.176,1253 41.884,1254 0.576,1255 242,1256 864.622,1257 316.054,1258 778.194,1259 995.32,1260 714,1261 276,1262 642.221,1263 360.296,1264 664.42,1265 979.86,1266 623,1267 10} {0 CHEMBL314858,1 1.613,2 13.5,3 2.075,4 4.306,5 173.635,6 6.906,7 0.122,8 4.637,9 4.762,10 4.212,11 4.1,12 5.619,13 4.06,14 5.254,15 5.441,16 4.509,17 4.523,18 6.339,19 4.443,20 5.601,21 5.842,22 4.572,23 4.71,24 6.546,25 4.578,26 5.696,27 5.944,28 4.642,29 4.712,30 6.73,31 4.602,32 5.704,33 5.942,34 4.766,35 4.716,36 6.991,37 4.644,38 5.714,39 5.936,40 4.8,41 4.818,42 6.831,43 4.738,44 5.857,45 6.089,46 4.874,47 4.918,48 6.963,49 4.834,50 5.915,51 6.147,52 4.901,53 4.986,54 7.089,55 4.889,56 0.167,57 1.404,58 26.409,59 8.949,60 31.814,61 12.642,62 0.798,63 2.229,64 46.51,65 15.593,66 103.167,67 22.11,68 1.086,69 2.738,70 71.175,71 21.473,72 139.597,73 30.371,74 1.312,75 2.823,76 81.207,77 21.198,78 200.359,79 31.064,80 2.089,81 2.839,82 76.676,83 20.19,84 323.194,85 30.086,86 1.266,87 3.076,88 77.569,89 22.21,90 192.678,91 31.877,92 1.538,93 3.41,94 91.15,95 24.866,96 244.844,97 36.256,98 2.09,99 3.634,100 94.351,101 26.895,102 326.073,103 39.361,104 54,105 66,106 0.239,107 0.537,108 0.754,109 0.853,110 0.872,111 0.872,112 3.853,113 1.102,114 -2.33,115 -2.37,116 -2.33,117 33.3,118 1,119 10,120 1,123 4,125 6,135 5,136 1,143 1,145 3,154 15,156 4,157 1,160 5,162 6,163 17,166 1,167 3,169 2,170 3,171 7,174 12,178 6,181 1,182 1,183 7,186 3,189 7,190 7,192 8,193 1,194 13,197 5,200 2,201 11,204 2,205 2,206 12,208 7,211 1,212 18,215 2,217 7,220 8,223 4,224 15,226 7,227 1,228 9,231 10,235 3,236 13,239 1,240 1,241 8,243 9,246 5258,247 30.739,248 30.739,249 30.739,250 30.739,251 30.739,252 29.05,253 32.979,254 18.595,255 31.253,256 24.166,257 24.166,258 24.166,259 24.166,260 24.166,261 21.438,262 40.298,263 8.86,264 24.97,265 4.972,266 2.958,267 1.489,268 0.823,269 0.695,270 0.695,271 4.54,276 1303,277 6.083,279 171.035,280 606.904,285 1.848,286 81.705,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 102,297 621,298 4.803,299 3.823,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.097,308 3.668,309 6.222,310 3.938,311 2.961,312 3.469,313 1.924,314 9.3,315 2.889,316 3.967,317 3.421,318 6.076,319 3.796,320 2.817,321 3.231,322 1.251,323 8.81,324 2.755,325 3.83,326 3.038,327 5.906,328 3.666,329 2.678,330 2.988,331 0.86,332 8.271,333 2.642,334 3.758,335 2.981,336 5.318,337 3.441,338 2.456,339 2.948,340 0.479,341 6.87,342 2.414,343 3.635,344 2.734,345 5.309,346 3.404,347 2.43,348 2.735,349 0.4,350 6.822,351 2.379,352 3.454,353 2.559,354 5.282,355 3.333,356 2.345,357 2.454,358 0.349,359 6.669,360 2.291,361 3.165,362 2.463,363 4.97,364 3.108,365 2.15,366 2.168,367 0.29,368 5.78,369 2.05,370 3.124,371 2.372,372 4.909,373 2.939,374 2.012,375 2.131,376 0.148,377 5.339,378 1.857,379 2.931,380 2.13,381 4.31,382 2.539,383 1.553,384 2.083,386 4.007,387 1.528,388 2.712,389 1.986,390 3.994,391 2.476,392 1.486,393 1.668,395 3.318,396 1.47,397 2.5,398 1.674,399 3.772,400 2.379,401 1.407,402 1.5,404 3.132,405 1.357,406 2.485,407 1.623,408 3.642,409 2.166,410 1.247,411 1.484,413 2.888,414 1.141,415 2.462,416 1.608,417 3.53,418 2.05,419 1.141,420 1.398,422 2.649,423 1.031,424 2.414,425 1.453,426 3.515,427 2,428 1.035,429 1.221,431 2.578,432 1,433 21.567,434 0.469,435 1.118,436 0.024,437 44.25,438 0.962,439 15,440 0.326,441 29.25,442 0.636,443 62.606,444 1.361,445 55.233,446 0.575,447 44.126,448 0.959,449 7.849,450 0.171,451 14.291,452 0.311,453 0.116,454 0.039,455 0.25,459 0.738,460 1.606,461 0.905,462 1.413,463 0.709,464 1.164,465 0.738,466 1.264,467 0.989,468 1.181,469 0.6,470 1.174,471 0.947,472 1.067,473 1.118,474 1.122,475 0.92,476 1.072,477 1.196,478 1.086,479 1.111,480 1.09,481 1.348,482 0.981,483 1.06,484 0.907,485 0.853,486 0.807,487 1.23,488 0.839,489 1.214,490 1.094,491 1.033,492 1.029,493 1.286,494 0.995,495 1.284,496 1.032,497 1.037,498 0.991,499 1.405,500 0.95,501 1.101,502 0.988,503 1.007,504 0.959,505 1.215,506 0.997,507 10,508 0.493,509 4.667,510 2.91,511 2.746,512 1.674,513 1.485,514 1.202,515 0.766,516 0.685,517 34106,518 86090,519 2.013,520 52.1,521 14,522 19,524 2,525 5,527 6,528 4,529 1.844,530 1.884,531 3.683,532 2.109,535 154.802,536 1.613,537 3.627,538 5.096,539 5.762,540 5.89,541 5.89,542 3.055,543 4.839,544 5.497,545 3.887,546 4023.21,547 9.816,548 77281.1,552 632.156,553 1.478,554 5.448,555 0.204,556 0.006,557 0.071,558 0.044,559 0.04,560 0.02,561 0.017,562 0.013,563 0.008,564 0.008,565 0.431,566 0.17,567 0.63,568 1.014,569 267.578,570 -0.003,571 -0.195,572 0.151,573 -0.077,574 -0.086,575 0.013,576 0.14,577 -0.041,578 -0.026,579 -0.074,580 0.121,581 -0.11,582 -0.018,583 -0.009,584 -0.05,585 -0.042,586 -0.041,587 -0.052,588 -0.085,589 -0.086,590 -0.007,591 -0.055,592 -0.102,593 -0.001,594 0.209,595 0.08,596 0.131,597 0.106,598 0.194,599 0.101,600 -0.076,601 -0.024,602 -0.006,603 -0.009,604 -0.054,605 -0.004,606 -0.114,607 -0.006,608 -0.005,609 0.009,610 -0.086,611 0.029,612 0.038,613 0.035,614 -0.03,615 0.018,616 0.039,617 -0.016,618 4.963,619 6.935,620 0.5,621 54.291,622 1.004,623 1.141,624 1.102,625 1.215,626 0.621,627 3.912,628 4.205,629 4.394,630 4.585,631 4.754,632 4.736,633 4.875,634 4.97,635 5.024,636 5.069,637 8.512,638 0.582,639 662.95,640 3.912,641 5.442,642 6.26,643 7.116,644 7.953,645 8.813,646 9.659,647 10.522,648 11.374,649 12.239,650 6.3,652 1,653 1,657 2,659 2,662 5,666 1,667 6,676 96,677 12,678 1,679 49,680 99,681 32,682 6,683 1,684 5,685 2,686 4,687 4,690 1,694 6,695 1,697 16,698 10,699 22,700 1,701 6,703 1,704 4,706 2,707 2,708 2,713 50,714 13,715 5,716 14,717 1,719 6,721 1,722 7,724 2,731 1,732 3,737 1,740 2,751 2,752 1,753 4,755 1,756 1,759 46,761 1,762 2,763 14,764 3,765 1,767 7,768 1,772 7.3,773 2,775 4,776 1,778 24.417,779 16.167,780 10.292,781 6.147,783 0.903,784 1.118,785 0.894,786 14.446,787 8.521,788 4.078,789 4.505,790 4.785,791 5.091,792 5.382,793 5.312,794 5.539,795 5.763,796 5.885,797 5.986,798 0.889,799 66,800 17.802,801 8.102,802 7.918,803 33.14,804 27.937,805 2.418,806 111.25,809 529.7,810 130.778,811 87.516,813 190.969,815 5.569,816 125.209,817 720.669,818 87.516,819 8.825,820 74.763,821 154.722,822 156.22,823 38.275,825 506.157,827 529.7,828 212.725,829 190.969,830 5.569,831 411.989,832 212.314,833 96.367,835 135.083,836 68.595,837 14.616,839 529.7,840 278.485,841 130.778,843 5.569,844 529.7,845 51.336,846 75.391,847 52.426,848 224.54,849 529.7,850 278.485,851 130.778,852 0.573,853 0.323,854 0.165,855 0.09,856 26,857 13,858 0.172,859 17,861 1,862 5.175,863 474.535,865 23,866 240.084,869 1,870 36.446,871 18.233,872 11.673,874 278.485,875 9.056,879 0.742,880 137.793,881 938.963,882 58,884 -4.046,885 54.49,887 2.971,888 8.285,889 -1.172,891 96.418,892 109.51,893 0.245,894 0.551,895 0.774,896 0.875,897 0.894,898 0.894,899 5.335,900 2.15,901 6.244,902 6.669,903 4.89,904 5.193,905 2.991,906 7.026,907 4.832,908 6.485,909 2.012,910 7.791,911 5.78,912 4.511,913 5.066,914 2.179,915 8.055,916 4.455,917 7.773,918 1.553,919 9.451,920 5.339,921 6.488,922 7.204,923 3.826,924 11.086,925 6.389,926 9.099,927 1.486,928 11.182,929 4.007,930 6.948,931 8.001,932 3.805,933 13.009,934 6.852,935 10.469,936 1.407,937 12.964,938 3.318,939 8.403,940 9.675,941 4.941,942 15.632,943 8.273,944 11.87,945 1.247,946 14.783,947 3.132,948 9.244,949 10.877,950 5.26,951 17.917,952 9.112,953 13.297,954 1.141,955 16.632,956 2.888,957 10.508,958 12.424,959 6.176,960 20.444,961 10.35,962 3.397,963 1.035,964 18.503,965 2.649,966 11.532,967 13.801,968 6.659,969 22.873,970 11.365,971 2.961,972 12.526,973 20.394,974 2.578,975 12.731,976 15.317,977 7.465,978 25.385,979 12.545,980 2.817,981 9.3,982 22.3,983 4.56,984 13.843,985 16.771,986 8.034,987 27.871,988 13.645,989 2.678,990 8.81,991 24.22,992 3.469,993 15.028,994 18.282,995 8.781,996 30.387,997 14.812,998 2.456,999 8.271,1000 26.152,1001 3.231,1002 16.185,1003 19.769,1004 9.397,1005 32.896,1006 15.955,1007 2.43,1008 6.87,1009 28.093,1010 2.988,1011 17.372,1012 21.281,1013 10.112,1014 35.416,1015 17.126,1016 2.345,1017 6.822,1018 30.042,1019 2.948,1020 18.552,1021 22.784,1022 10.753,1023 37.935,1024 18.292,1025 33055,1026 52906,1027 32.186,1028 59.614,1029 72.518,1030 74.394,1031 73.232,1032 71.556,1033 71.624,1034 82.708,1035 15.371,1036 198.184,1037 69.378,1038 5.803,1039 5.823,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 24.58,1048 1.48,1049 1.518,1050 1.495,1051 1.46,1052 1.462,1053 1.688,1054 0.314,1055 4.045,1056 1.416,1057 4.055,1058 4.071,1059 4.723,1060 3.952,1061 7.717,1062 3.905,1063 3.937,1064 3.973,1065 3.881,1066 3.835,1067 7.433,1068 3.804,1069 3.893,1070 3.918,1071 3.812,1072 3.814,1073 7.423,1074 3.771,1075 3.846,1076 3.902,1077 3.75,1078 3.686,1079 6.999,1080 3.695,1081 3.752,1082 3.805,1083 3.626,1084 3.601,1085 6.461,1086 3.597,1087 3.662,1088 3.714,1089 3.576,1090 3.45,1091 6.436,1092 3.472,1093 3.587,1094 3.636,1095 3.515,1096 3.391,1097 4.955,1098 3.392,1099 3.499,1100 3.533,1101 3.424,1102 3.314,1103 4.752,1104 3.296,1105 0.098,1106 0.078,1107 0.149,1108 0.089,1109 0.069,1110 4.803,1111 0.093,1112 3.823,1113 0.04,1114 7.311,1115 0.256,1116 4.381,1117 0.068,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.931,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.309,1134 2.065,1135 1.794,1136 1.787,1137 1.972,1138 1.977,1139 1.271,1140 1.994,1141 1.755,1142 1.707,1143 1.902,1144 1.946,1145 1.216,1146 1.953,1147 1.701,1148 1.652,1149 1.891,1150 1.894,1151 1.194,1152 1.899,1153 1.542,1154 1.497,1155 1.788,1156 1.758,1157 1.098,1158 1.767,1159 1.52,1160 1.457,1161 1.7,1162 1.72,1163 0.91,1164 1.74,1165 1.295,1166 1.3,1167 1.572,1168 1.533,1169 0.851,1170 1.538,1171 4.595,1173 5.894,1174 2.398,1175 7.37,1176 4.443,1177 8.92,1178 6.26,1179 10.512,1180 1.834,1184 21.422,1185 7.519,1186 8.357,1187 5.298,1189 -4.754,1190 1.248,1192 55.909,1193 154.802,1194 348.19,1195 489.223,1196 553.137,1197 565.402,1198 565.402,1199 194.769,1200 7.619,1201 182.02,1202 190.4,1203 23,1204 12.789,1205 3.7,1206 3.322,1207 90.375,1208 228,1209 232,1210 0.18,1211 347.53,1212 629.38,1213 839.734,1214 19326,1216 32.943,1217 0.716,1218 0.597,1219 33.193,1220 27.484,1221 22.14,1222 0.452,1223 0.367,1224 16.432,1225 20.444,1226 16.048,1227 13.217,1228 22.961,1229 17.991,1230 19.826,1231 0.3,1232 0.216,1233 21.126,1234 14.226,1235 15.565,1236 0.195,1237 0.133,1238 16.657,1239 10.61,1240 12.075,1241 0.124,1242 0.078,1243 13.131,1244 7.562,1245 9.444,1246 0.082,1247 0.046,1248 10.408,1249 5.315,1250 0.281,1251 148.066,1252 0.176,1253 39.676,1254 0.503,1255 230,1256 695.771,1257 294.719,1258 670.955,1259 876.81,1260 620,1261 261,1262 573.726,1263 334.881,1264 608.962,1265 882.95,1266 572,1267 6.071} {0 CHEMBL316095,1 1.556,2 13.558,3 3.128,4 9.787,5 165.692,6 6.698,7 0.133,8 4.591,9 4.717,10 4.14,11 4.058,12 5.563,13 4.006,14 5.204,15 5.391,16 4.427,17 4.471,18 6.277,19 4.378,20 5.565,21 5.807,22 4.53,23 4.671,24 6.515,25 4.536,26 5.662,27 5.911,28 4.591,29 4.674,30 6.707,31 4.559,32 5.664,33 5.904,34 4.686,35 4.673,36 6.953,37 4.59,38 5.67,39 5.896,40 4.699,41 4.772,42 6.753,43 4.676,44 5.809,45 6.045,46 4.774,47 4.864,48 6.904,49 4.765,50 5.848,51 6.083,52 4.757,53 4.907,54 7.036,55 4.793,56 0.146,57 1.315,58 26.287,59 9.012,60 30.723,61 12.598,62 0.702,63 2.083,64 45.162,65 15.481,66 96.714,67 21.716,68 0.971,69 2.636,70 68.953,71 21.018,72 132.936,73 29.517,74 1.155,75 2.722,76 78.595,77 20.704,78 191.764,79 30.21,80 1.899,81 2.706,82 73.898,83 19.783,84 315.3,85 29.298,86 1.037,87 2.919,88 74.709,89 21.87,90 178.935,91 31.182,92 1.3,93 3.214,94 87.249,95 24.375,96 227.298,97 35.252,98 1.817,99 3.313,100 87.63,101 26.24,102 311.512,103 37.707,104 75,105 60,106 0.233,107 0.529,108 0.753,109 0.848,110 0.867,111 0.867,112 3.788,113 1.136,114 -2.84,115 -2.85,116 -2.76,117 33.3,118 1,119 10,120 1,123 4,125 5,130 1,131 1,135 5,136 1,145 2,154 17,156 3,160 5,162 6,163 18,166 1,167 2,169 2,170 3,171 8,174 12,178 7,182 1,183 9,186 3,189 6,190 9,192 6,193 1,194 14,197 5,201 12,204 1,205 2,206 13,208 9,212 16,215 1,217 9,220 13,223 4,224 13,226 5,227 1,228 10,231 17,236 9,240 1,241 9,243 18,246 4225,247 28.592,248 28.592,249 28.592,250 28.592,251 28.592,252 27.136,253 28.523,254 17.384,255 28.972,256 22.131,257 22.131,258 22.131,259 22.131,260 22.131,261 19.774,262 33.464,263 8.161,264 22.734,265 4.983,266 3.001,267 1.504,268 0.871,269 0.739,270 0.739,271 4.465,276 1204,277 6.124,280 569.503,285 1.909,286 76.128,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 95,297 583,298 4.803,299 3.822,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.082,308 3.668,309 6.208,310 3.922,311 2.946,312 3.469,313 1.924,314 9.237,315 2.873,316 3.962,317 3.421,318 6.075,319 3.792,320 2.809,321 3.212,322 0.86,323 8.8,324 2.755,325 3.808,326 2.992,327 5.876,328 3.62,329 2.626,330 2.972,331 0.4,332 8.118,333 2.606,334 3.671,335 2.734,336 5.316,337 3.439,338 2.454,339 2.754,340 0.349,341 6.855,342 2.411,343 3.454,344 2.56,345 5.289,346 3.361,347 2.36,348 2.454,349 0.148,350 6.719,351 2.357,352 3.171,353 2.463,354 4.974,355 3.123,356 2.165,357 2.175,359 5.801,360 2.065,361 3.124,362 2.375,363 4.91,364 2.94,365 2.012,366 2.131,368 5.339,369 1.857,370 2.933,371 2.244,372 4.334,373 2.563,374 1.578,375 2.083,377 4.064,378 1.548,379 2.843,380 1.995,381 4.004,382 2.479,383 1.488,384 1.804,386 3.336,387 1.471,388 2.506,389 1.674,390 3.79,391 2.462,392 1.459,393 1.5,395 3.152,396 1.46,397 2.5,398 1.62,399 3.642,400 2.188,401 1.254,402 1.485,404 2.887,405 1.167,406 2.483,407 1.453,408 3.53,409 2.038,410 1.112,411 1.425,413 2.624,414 1.021,415 2.266,416 1.411,417 3.503,418 2,419 1.03,420 1.22,422 2.433,423 1,424 2.216,425 1.364,426 3.247,427 2,428 1,429 1.11,431 2.136,432 1,433 20.267,434 0.471,435 1.049,436 0.024,437 39.25,438 0.913,439 13,440 0.302,441 26.25,442 0.61,443 58.623,444 1.363,445 52.333,446 0.563,447 39.277,448 0.913,449 6.944,450 0.161,451 13.678,452 0.318,453 0.148,454 0.041,455 0.242,459 0.733,460 1.563,461 0.942,462 1.419,463 0.728,464 1.19,465 0.716,466 1.301,467 0.997,468 1.207,469 0.595,470 1.2,471 0.951,472 1.081,473 1.11,474 1.108,475 0.916,476 1.054,477 1.221,478 1.11,479 1.115,480 1.084,481 1.342,482 0.973,483 1.089,484 0.918,485 0.871,486 0.806,487 1.215,488 0.845,489 1.246,490 1.099,491 1.063,492 1.026,493 1.274,494 1.006,495 1.297,496 1.039,497 1.057,498 0.997,499 1.391,500 0.963,501 1.094,502 0.971,503 1.005,504 0.957,505 1.198,506 1.01,507 9.5,508 0.429,509 4.667,510 2.813,511 2.711,512 1.618,513 1.307,514 1.181,515 0.654,516 0.509,517 28263,518 69581,519 1.963,520 53.8,521 14,522 21,525 5,527 8,528 2,529 1.826,530 1.823,531 3.697,532 2.134,535 144.717,536 1.556,537 3.538,538 5.035,539 5.668,540 5.8,541 5.8,542 3.044,543 4.99,544 5.4,545 3.905,546 3526.48,547 9.606,548 65111.4,552 608.142,553 1.537,554 5.341,555 0.211,556 0.007,557 0.078,558 0.045,559 0.042,560 0.022,561 0.017,562 0.014,563 0.008,564 0.007,565 0.45,566 0.17,567 0.63,568 1.242,569 246.593,570 0.006,571 -0.146,572 0.151,573 -0.064,574 -0.099,575 0.015,576 0.164,577 -0.076,578 -0.017,579 -0.087,580 0.123,581 -0.118,582 -0.003,583 -0.006,584 -0.029,585 -0.033,586 -0.035,587 -0.037,588 -0.084,589 -0.094,590 -0.002,591 -0.055,592 -0.09,593 0.001,594 0.198,595 0.082,596 0.117,597 0.103,598 0.198,599 0.092,600 -0.113,601 -0.02,602 -0.027,603 -0.005,604 -0.079,605 -0.011,606 -0.124,607 -0.007,608 -0.017,609 0.002,610 -0.095,611 0.017,612 0.048,613 0.045,614 -0.043,615 0.009,616 0.06,617 -0.027,618 4.928,619 6.641,620 0.419,621 50.657,622 1.001,623 1.139,624 1.606,625 2.579,626 0.617,627 3.829,628 4.111,629 4.29,630 4.466,631 4.654,632 4.595,633 4.71,634 4.779,635 4.787,636 4.762,637 8.466,638 0.574,639 622.92,640 3.829,641 5.352,642 6.163,643 7.017,644 7.85,645 8.709,646 9.553,647 10.414,648 11.264,649 12.127,650 4.3,652 1,653 1,657 2,662 5,666 1,667 6,676 93,677 11,678 1,679 45,680 95,681 31,682 6,683 1,684 5,686 3,687 3,690 1,694 5,695 1,697 15,698 10,699 21,700 1,701 5,702 1,703 1,704 4,706 1,708 2,713 50,714 11,715 5,716 12,717 1,719 4,721 1,722 7,724 2,732 3,740 2,744 1,745 1,751 2,752 1,753 3,755 1,756 1,759 43,761 1,762 2,763 14,764 3,765 1,767 6,768 1,772 7.5,773 2,775 4,776 1,778 23.583,779 15.6,780 9.792,781 5.936,783 0.781,784 1.106,785 0.885,786 14.922,787 8.173,788 3.989,789 4.401,790 4.642,791 4.932,792 5.285,793 5.141,794 5.33,795 5.539,796 5.675,797 5.709,798 0.889,799 63,800 16.645,801 7.497,802 7.94,803 30.99,804 25.878,805 2.44,806 104.917,809 529.7,810 138.355,811 53.945,813 190.969,815 5.569,816 132.786,817 720.669,818 53.945,819 8.825,820 90.53,821 164.198,822 115.012,823 4.704,825 529.7,827 529.7,828 186.731,829 190.969,830 5.569,831 411.989,832 212.314,833 96.367,835 101.512,836 75.743,837 15.045,839 529.7,840 244.914,841 138.355,843 5.569,844 529.7,845 51.336,846 67.201,847 52.426,848 206.736,849 529.7,850 244.914,851 138.355,852 0.568,853 0.322,854 0.166,855 0.094,856 22,857 12,858 0.179,859 17,861 1,862 4.931,863 419.858,865 18,866 219.329,869 1,870 35.479,871 18.086,872 11.788,874 244.914,875 9.057,879 0.752,880 137.793,881 912.969,882 53,883 3.738,884 -4.012,885 53.615,887 1.516,889 -1.137,891 93.098,892 105.929,893 0.238,894 0.541,895 0.77,896 0.867,897 0.887,898 0.887,899 5.239,900 2.012,901 6.151,902 5.801,903 4.796,904 5.088,905 2.772,906 6.936,907 4.747,908 6.386,909 1.578,910 7.703,911 5.339,912 4.443,913 5.027,914 2.179,915 8.003,916 4.39,917 7.677,918 1.488,919 9.371,920 4.064,921 6.399,922 7.109,923 3.72,924 11.027,925 6.313,926 9.006,927 1.459,928 11.111,929 3.336,930 6.878,931 7.96,932 3.785,933 12.975,934 6.79,935 10.382,936 1.254,937 12.902,938 3.152,939 8.329,940 9.614,941 4.897,942 15.601,943 8.212,944 11.79,945 1.112,946 14.73,947 2.887,948 9.186,949 10.849,950 5.247,951 17.898,952 9.063,953 13.225,954 1.03,955 16.587,956 2.624,957 10.451,958 12.392,959 6.158,960 20.428,961 10.304,962 3.397,963 1,964 18.465,965 2.433,966 11.486,967 13.785,968 6.653,969 22.863,970 11.329,971 2.946,972 12.526,973 20.362,974 2.136,975 12.688,976 15.302,977 7.458,978 25.377,979 12.511,980 2.809,981 9.237,982 22.274,983 4.56,984 13.808,985 16.763,986 8.032,987 27.866,988 13.617,989 2.626,990 8.8,991 24.199,992 3.469,993 14.996,994 18.275,995 8.779,996 30.382,997 14.788,998 2.454,999 8.118,1000 26.134,1001 3.212,1002 16.158,1003 19.765,1004 9.396,1005 32.893,1006 15.934,1007 2.36,1008 6.855,1009 28.078,1010 2.972,1011 17.348,1012 21.278,1013 10.11,1014 35.414,1015 17.108,1016 2.165,1017 6.719,1018 30.03,1019 2.754,1020 18.532,1021 22.782,1022 10.752,1023 37.933,1024 18.277,1025 27940,1026 44212,1027 29.008,1028 57.364,1029 65.608,1030 67.758,1031 67.862,1032 65.327,1033 65.321,1034 75.009,1035 11.332,1036 179.976,1037 63.624,1038 5.803,1039 5.822,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 25.341,1048 1.458,1049 1.506,1050 1.508,1051 1.452,1052 1.452,1053 1.667,1054 0.252,1055 3.999,1056 1.414,1057 4.052,1058 4.065,1059 4.723,1060 3.951,1061 7.717,1062 3.902,1063 3.932,1064 3.971,1065 3.87,1066 3.834,1067 7.433,1068 3.802,1069 3.893,1070 3.917,1071 3.803,1072 3.813,1073 7.423,1074 3.771,1075 3.791,1076 3.841,1077 3.687,1078 3.641,1079 6.999,1080 3.641,1081 3.729,1082 3.779,1083 3.601,1084 3.579,1085 6.461,1086 3.575,1087 3.612,1088 3.651,1089 3.526,1090 3.418,1091 6.436,1092 3.423,1093 3.536,1094 3.601,1095 3.43,1096 3.37,1097 4.755,1098 3.361,1099 3.447,1100 3.455,1101 3.368,1102 3.282,1103 4.708,1104 3.25,1105 0.107,1106 0.085,1107 0.162,1108 0.097,1109 0.075,1110 4.803,1111 0.101,1112 3.822,1113 0.044,1114 7.311,1115 0.278,1116 4.381,1117 0.074,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.308,1134 2.065,1135 1.795,1136 1.787,1137 1.973,1138 1.977,1139 1.268,1140 1.994,1141 1.758,1142 1.711,1143 1.918,1144 1.946,1145 1.207,1146 1.954,1147 1.709,1148 1.66,1149 1.9,1150 1.895,1151 1.135,1152 1.904,1153 1.544,1154 1.5,1155 1.794,1156 1.758,1157 1.085,1158 1.767,1159 1.527,1160 1.463,1161 1.711,1162 1.723,1163 0.906,1164 1.748,1165 1.308,1166 1.307,1167 1.572,1168 1.541,1169 0.851,1170 1.556,1171 4.511,1173 5.802,1175 7.277,1177 8.831,1179 10.426,1180 1.834,1184 21.204,1185 7.699,1186 8.233,1187 5.274,1189 -4.104,1190 1.248,1192 53.393,1193 144.717,1194 329.027,1195 468.267,1196 527.122,1197 539.387,1198 539.387,1199 209.885,1200 7.391,1201 157.3,1202 165.68,1203 18,1204 12.678,1205 3.585,1206 3.17,1207 97.372,1208 217,1209 208,1210 0.209,1211 334.67,1212 605.08,1213 808.355,1214 14958,1216 31.244,1217 0.727,1218 0.608,1219 31.494,1220 26.142,1221 20.623,1222 0.458,1223 0.379,1224 15.509,1225 19.068,1226 15.106,1227 12.493,1228 21.444,1229 17.033,1230 18.228,1231 0.304,1232 0.223,1233 19.529,1234 13.384,1235 14.114,1236 0.196,1237 0.138,1238 15.205,1239 9.952,1240 10.845,1241 0.126,1242 0.082,1243 11.902,1244 7.065,1245 8.754,1246 0.084,1247 0.048,1248 9.719,1249 5.024,1250 0.328,1251 138.006,1252 0.186,1253 37.817,1254 0.578,1255 210,1256 624.481,1257 271.555,1258 604.004,1259 784.5,1260 556,1261 237,1262 506.5,1263 307.689,1264 541.889,1265 785.53,1266 509,1267 7.959} {0 CHEMBL329220,1 1.598,2 13.511,3 2.146,4 4.604,5 167.328,6 6.894,7 0.128,8 4.621,9 4.74,10 4.187,11 4.064,12 5.622,13 4.027,14 5.237,15 5.42,16 4.479,17 4.475,18 6.353,19 4.398,20 5.579,21 5.81,22 4.575,23 4.678,24 6.568,25 4.558,26 5.684,27 5.921,28 4.641,29 4.685,30 6.772,31 4.584,32 5.693,33 5.927,34 4.756,35 4.685,36 7.031,37 4.616,38 5.697,39 5.915,40 4.778,41 4.785,42 6.844,43 4.707,44 5.847,45 6.074,46 4.86,47 4.875,48 6.989,49 4.801,50 5.889,51 6.104,52 4.888,53 4.913,54 7.149,55 4.838,56 0.193,57 1.328,58 26.241,59 9.103,60 34.41,61 12.504,62 0.954,63 2.088,64 46.361,65 15.516,66 116.288,67 21.577,68 1.209,69 2.626,70 70.023,71 20.88,72 158.795,73 29.21,74 1.544,75 2.713,76 80.736,77 20.694,78 231.673,79 30.124,80 2.366,81 2.708,82 76.448,83 20.003,84 363.909,85 29.618,86 1.453,87 2.943,88 76.639,89 21.838,90 225.632,91 31.193,92 1.784,93 3.226,94 91.131,95 24.235,96 271.402,97 35.006,98 2.523,99 3.297,100 93.395,101 25.688,102 387.527,103 36.703,104 95,105 63,106 0.238,107 0.524,108 0.755,109 0.847,110 0.866,111 0.866,112 3.832,113 1.11,114 -2.22,115 -2.26,116 -2.23,117 32.6,118 1,119 10,120 1,122 1,123 4,125 5,135 5,136 1,145 3,154 15,156 4,157 2,160 5,162 6,163 17,166 1,167 2,169 2,170 3,171 7,174 12,178 6,181 2,182 1,183 7,186 3,189 8,190 7,192 8,193 1,194 13,197 5,200 2,201 11,204 1,205 2,206 12,208 7,212 20,215 3,217 7,220 8,223 4,224 16,226 7,227 1,228 9,231 10,235 6,236 14,240 1,241 8,243 9,246 4908,247 29.747,248 29.747,249 29.747,250 29.747,251 29.747,252 28.265,253 30.252,254 17.907,255 30.283,256 23.076,257 23.076,258 23.076,259 23.076,260 23.076,261 20.609,262 35.556,263 8.434,264 23.79,265 4.972,266 3.048,267 1.501,268 0.882,269 0.753,270 0.753,271 4.508,276 1252,277 6.364,280 600.149,285 1.877,286 87.877,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 101,297 608,298 4.803,299 3.847,300 7.311,301 4.381,302 3.397,303 4.56,304 2.443,305 12.526,306 3.342,307 4.097,308 3.705,309 6.218,310 3.934,311 2.956,312 3.469,313 1.984,314 9.283,315 2.886,316 3.967,317 3.605,318 6.076,319 3.795,320 2.814,321 3.236,322 1.924,323 8.806,324 2.755,325 3.819,326 3.421,327 5.897,328 3.649,329 2.655,330 2.976,331 0.86,332 8.215,333 2.631,334 3.708,335 2.99,336 5.316,337 3.44,338 2.455,339 2.831,340 0.4,341 6.856,342 2.412,343 3.53,344 2.734,345 5.289,346 3.37,347 2.369,348 2.661,349 0.349,350 6.726,351 2.365,352 3.453,353 2.559,354 5.004,355 3.215,356 2.241,357 2.454,358 0.286,359 5.919,360 2.163,361 3.158,362 2.463,363 4.927,364 3.079,365 2.112,366 2.162,367 0.148,368 5.599,369 2.027,370 3.124,371 2.372,372 4.905,373 2.939,374 2.011,375 2.131,377 5.336,378 1.857,379 2.93,380 2.103,381 4.286,382 2.533,383 1.544,384 2.083,386 3.947,387 1.524,388 2.575,389 1.977,390 3.984,391 2.476,392 1.485,393 1.541,395 3.296,396 1.47,397 2.5,398 1.674,399 3.729,400 2.321,401 1.357,402 1.5,404 3.075,405 1.298,406 2.484,407 1.619,408 3.641,409 2.108,410 1.209,411 1.48,413 2.847,414 1.079,415 2.314,416 1.461,417 3.53,418 2,419 1.04,420 1.257,422 2.613,423 1,424 2.234,425 1.453,426 3.464,427 2,428 1,429 1.154,431 2.136,432 1,433 20.933,434 0.465,435 1.156,436 0.026,437 41.5,438 0.922,439 13.5,440 0.3,441 28,442 0.622,443 62.033,444 1.379,445 55.267,446 0.582,447 43.64,448 0.97,449 7.504,450 0.167,451 14.012,452 0.311,453 0.159,454 0.04,455 0.258,459 0.735,460 1.612,461 0.909,462 1.461,463 0.688,464 1.197,465 0.73,466 1.265,467 0.969,468 1.171,469 0.579,470 1.162,471 0.938,472 1.098,473 1.115,474 1.125,475 0.919,476 1.068,477 1.152,478 1.12,479 1.126,480 1.106,481 1.323,482 1.001,483 0.928,484 0.915,485 0.825,486 0.805,487 1.081,488 0.836,489 1.086,490 1.129,491 1.019,492 1.042,493 1.118,494 1.005,495 1.258,496 1.031,497 1.044,498 0.992,499 1.367,500 0.948,501 1.203,502 0.974,503 1.007,504 0.951,505 1.322,506 0.993,507 10.5,508 0.529,509 4.889,510 2.938,511 2.871,512 1.729,513 1.47,514 1.243,515 0.827,516 0.709,517 31041,518 82759,519 1.952,520 52.6,521 14,522 21,525 5,526 2,527 6,528 2,529 1.838,530 1.806,531 3.69,532 2.132,535 151.834,536 1.598,537 3.521,538 5.068,539 5.688,540 5.817,541 5.817,542 3.055,543 5.075,544 5.465,545 3.892,546 3853.5,547 9.749,548 73057.2,552 624.136,553 1.567,554 5.402,555 0.223,556 0.007,557 0.078,558 0.045,559 0.042,560 0.022,561 0.018,562 0.014,563 0.009,564 0.008,565 0.465,566 0.17,567 0.63,568 1.307,569 260.529,570 -0.011,571 -0.176,572 0.145,573 -0.088,574 -0.08,575 0.005,576 0.147,577 -0.044,578 -0.005,579 -0.05,580 0.125,581 -0.088,582 -0.035,583 -0.008,584 -0.047,585 -0.034,586 -0.048,587 -0.043,588 -0.081,589 -0.094,590 -0.024,591 -0.067,592 -0.107,593 -0.02,594 0.24,595 0.082,596 0.151,597 0.109,598 0.22,599 0.109,600 -0.049,601 -0.036,603 -0.014,604 -0.021,605 -0.004,606 -0.123,607 0.005,608 -0.01,609 0.003,610 -0.107,611 0.027,612 0.019,613 0.038,614 -0.031,615 0.011,616 0.015,617 -0.021,618 5.015,619 6.718,620 0.4,621 53.037,622 1.008,623 1.14,624 0.99,625 0.98,626 0.613,627 3.871,628 4.159,629 4.331,630 4.5,631 4.7,632 4.654,633 4.771,634 4.852,635 4.89,636 4.89,637 8.488,638 0.577,639 654.92,640 3.871,641 5.398,642 6.209,643 7.062,644 7.895,645 8.754,646 9.598,647 10.459,648 11.309,649 12.173,650 4.2,652 1,653 1,657 2,662 5,666 1,667 6,676 95,677 11,678 1,679 47,680 97,681 31,682 6,683 1,684 5,686 3,687 3,690 1,694 5,695 1,697 15,698 9,699 22,700 1,701 5,703 1,704 5,708 3,713 50,714 13,715 5,716 14,717 1,719 4,721 1,722 9,724 2,732 3,740 2,743 1,751 2,752 1,753 3,755 1,756 2,759 45,761 1,762 2,763 14,764 3,765 2,767 6,768 1,772 9.5,773 2,775 5,776 1,777 1,778 24.917,779 16.35,780 10.208,781 5.978,783 0.762,784 1.102,785 0.879,786 15.685,787 8.224,788 4.025,789 4.449,790 4.68,791 4.953,792 5.315,793 5.186,794 5.368,795 5.574,796 5.728,797 5.778,798 0.889,799 66,800 17.488,801 7.945,802 8.035,803 32.1,804 26.61,805 2.535,806 114.083,809 529.7,810 131.186,811 53.945,813 227.114,815 5.569,816 125.617,817 756.814,818 53.945,819 19.708,820 74.763,821 154.722,822 147.348,823 15.704,825 529.7,827 529.7,828 179.562,829 227.114,830 5.569,831 435.531,832 224.916,833 96.367,835 101.512,836 78.051,837 5.569,839 529.7,840 281.059,841 131.186,843 5.569,844 529.7,845 58.528,846 68.608,847 52.426,848 227.114,849 529.7,850 281.059,851 131.186,852 0.571,853 0.322,854 0.16,855 0.093,856 23,857 13,858 0.186,859 18,861 1,862 5.019,863 450.222,865 18,866 231.133,869 1,870 37.355,871 18.896,872 12.549,874 281.059,875 8.835,879 0.682,880 137.793,881 941.945,882 55,884 -4.099,885 66.233,889 -2.269,891 95.752,892 108.347,893 0.243,894 0.536,895 0.771,896 0.866,897 0.885,898 0.885,899 5.281,900 2.112,901 6.201,902 5.919,903 4.844,904 5.136,905 3.259,906 6.984,907 4.791,908 6.433,909 2.011,910 7.753,911 5.599,912 4.511,913 5.103,914 2.848,915 8.038,916 4.459,917 7.729,918 1.544,919 9.418,920 5.336,921 6.447,922 7.157,923 4.464,924 11.058,925 6.357,926 9.061,927 1.485,928 11.154,929 3.947,930 6.929,931 8.007,932 4.741,933 12.991,934 6.839,935 10.436,936 1.357,937 12.939,938 3.296,939 8.368,940 9.646,941 5.925,942 15.616,943 8.248,944 11.841,945 1.209,946 14.762,947 3.075,948 9.221,949 10.874,950 6.495,951 17.907,952 9.096,953 13.272,954 1.04,955 16.612,956 2.847,957 10.481,958 12.409,959 7.508,960 20.436,961 10.332,962 3.397,963 1,964 18.486,965 2.613,966 11.511,967 13.797,968 8.225,969 22.868,970 11.352,971 2.956,972 12.526,973 20.379,974 2.136,975 12.71,976 15.31,977 9.163,978 25.381,979 12.532,980 2.814,981 9.283,982 22.288,983 4.56,984 13.827,985 16.768,986 9.959,987 27.869,988 13.635,989 2.655,990 8.806,991 24.21,992 3.469,993 15.013,994 18.279,995 10.866,996 30.385,997 14.803,998 2.455,999 8.215,1000 26.143,1001 3.236,1002 16.172,1003 19.768,1004 11.704,1005 32.895,1006 15.948,1007 2.369,1008 6.856,1009 28.086,1010 2.976,1011 17.361,1012 21.28,1013 12.599,1014 35.415,1015 17.12,1016 2.241,1017 6.726,1018 30.036,1019 2.831,1020 18.543,1021 22.784,1022 13.46,1023 37.935,1024 18.287,1025 30777,1026 50644,1027 30.107,1028 58.273,1029 68.304,1030 71.673,1031 71.146,1032 68.14,1033 68.249,1034 78.22,1035 16.789,1036 188.881,1037 66.284,1038 5.803,1039 5.847,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 4.174,1045 19.921,1046 5.342,1047 27.651,1048 1.453,1049 1.525,1050 1.514,1051 1.45,1052 1.452,1053 1.664,1054 0.357,1055 4.019,1056 1.41,1057 4.052,1058 4.065,1059 4.723,1060 3.951,1061 7.717,1062 3.902,1063 3.932,1064 3.971,1065 3.872,1066 3.834,1067 7.437,1068 3.801,1069 3.893,1070 3.917,1071 3.804,1072 3.812,1073 7.428,1074 3.771,1075 3.792,1076 3.837,1077 3.697,1078 3.628,1079 7.423,1080 3.632,1081 3.73,1082 3.775,1083 3.603,1084 3.556,1085 6.999,1086 3.566,1087 3.613,1088 3.649,1089 3.529,1090 3.411,1091 6.461,1092 3.416,1093 3.54,1094 3.595,1095 3.442,1096 3.358,1097 6.436,1098 3.351,1099 3.456,1100 3.453,1101 3.408,1102 3.264,1103 4.753,1104 3.239,1105 0.102,1106 0.082,1107 0.156,1108 0.093,1109 0.072,1110 4.803,1111 0.097,1112 3.847,1113 0.052,1114 7.311,1115 0.267,1116 4.381,1117 0.071,1118 3.397,1119 4.56,1120 2.443,1121 12.526,1122 3.342,1123 1.931,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.308,1134 2.064,1135 1.794,1136 1.787,1137 1.972,1138 1.977,1139 1.268,1140 1.994,1141 1.751,1142 1.704,1143 1.901,1144 1.945,1145 1.207,1146 1.951,1147 1.682,1148 1.641,1149 1.862,1150 1.894,1151 1.123,1152 1.89,1153 1.541,1154 1.494,1155 1.779,1156 1.758,1157 1.074,1158 1.767,1159 1.501,1160 1.448,1161 1.688,1162 1.727,1163 0.904,1164 1.733,1165 1.281,1166 1.294,1167 1.575,1168 1.583,1169 0.851,1170 1.578,1171 4.554,1173 5.849,1175 7.324,1177 8.876,1179 10.468,1180 2.961,1184 21.25,1185 6.33,1186 7.888,1187 10.047,1189 -4.972,1190 1.197,1192 54.822,1193 151.834,1194 334.53,1195 481.507,1196 540.362,1197 552.627,1198 552.627,1199 236.395,1200 7.462,1201 183.6,1202 191.98,1203 18,1204 12.724,1205 3.585,1206 3.17,1207 104.668,1208 224,1209 224,1210 0.215,1211 342.663,1212 622.66,1213 827.857,1214 16065,1216 32.821,1217 0.729,1218 0.604,1219 33.071,1220 27.174,1221 21.516,1222 0.458,1223 0.37,1224 15.806,1225 19.735,1226 15.388,1227 12.704,1228 22.338,1229 17.387,1230 19.189,1231 0.305,1232 0.217,1233 20.489,1234 13.64,1235 14.857,1236 0.198,1237 0.135,1238 15.948,1239 10.148,1240 11.084,1241 0.125,1242 0.08,1243 12.141,1244 7.126,1245 9.08,1246 0.083,1247 0.047,1248 10.044,1249 5.095,1250 0.335,1251 145.062,1252 0.182,1253 39.047,1254 0.598,1255 220,1256 723.952,1257 286.758,1258 686.182,1259 883.11,1260 632,1261 248,1262 564.682,1263 322.676,1264 597.586,1265 863.91,1266 559,1267 7.357} {0 CHEMBL353944,1 1.465,2 14.922,3 4.962,4 24.625,5 195.376,6 6.388,7 0.204,8 4.76,9 4.901,10 4.169,11 4.225,12 5.75,13 4.179,14 5.37,15 5.573,16 4.56,17 4.658,18 6.327,19 4.578,20 5.731,21 5.969,22 4.613,23 4.856,24 6.65,25 4.738,26 5.879,27 6.149,28 4.697,29 4.886,30 6.861,31 4.769,32 5.855,33 6.098,34 4.812,35 4.885,36 7.036,37 4.808,38 5.898,39 6.131,40 4.872,41 4.988,42 6.961,43 4.907,44 6.024,45 6.263,46 4.93,47 5.084,48 7.097,49 4.991,50 6.098,51 6.356,52 4.965,53 5.14,54 7.16,55 5.036,56 0.091,57 1.571,58 26.959,59 10.52,60 21.051,61 15.182,62 0.639,63 2.53,64 50.384,65 17.797,66 73.311,67 26.463,68 0.975,69 3.181,70 73.081,71 23.393,72 116.375,73 35.18,74 1.105,75 3.377,76 84.891,77 25.238,78 175.781,79 39,80 1.86,81 3.373,82 85.127,83 23.381,84 288.244,85 36.002,86 1.276,87 3.65,88 87.518,89 26.206,90 192.195,91 39.458,92 1.441,93 4.044,94 99.261,95 29.364,96 233.598,97 44.459,98 1.963,99 4.303,100 107.02,101 31.288,102 293.67,103 47.899,104 135,105 76,106 0.211,107 0.494,108 0.709,109 0.833,110 0.849,111 0.849,112 3.954,113 1.043,114 -3.49,115 -3.46,116 -3.31,117 35.1,118 6,119 11,120 2,123 1,125 4,127 2,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 17,156 2,157 10,160 5,162 4,163 23,167 4,169 2,170 3,171 8,174 13,178 12,181 3,183 10,186 8,189 4,190 9,192 7,193 1,194 12,197 9,200 1,201 13,204 2,205 3,206 13,208 16,211 2,212 20,215 2,217 11,220 14,223 2,224 18,226 6,227 1,228 9,231 18,235 2,236 13,240 2,241 12,243 24,246 6787,247 33.186,248 33.186,249 33.186,250 33.186,251 33.186,252 31.293,253 35.347,254 19.787,255 33.671,256 26.654,257 26.654,258 26.654,259 26.654,260 26.654,261 23.716,262 48.088,263 9.448,264 27.409,265 5.329,266 3.359,267 1.869,268 1.007,269 0.897,270 0.897,271 4.635,276 1581,277 6.557,279 379.741,280 452.152,285 1.972,286 75.811,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 111,297 761,298 4.57,299 4.005,300 7.473,301 4.495,302 3.528,303 3.649,304 2.189,305 13.219,306 3.41,307 4.178,308 3.847,309 6.5,310 4.074,311 3.136,312 3.508,313 1.983,314 10.161,315 2.936,316 4.113,317 3.752,318 6.448,319 3.959,320 2.984,321 3.472,322 1.94,323 9.96,324 2.902,325 3.996,326 3.624,327 6.185,328 3.854,329 2.875,330 3.237,331 1.923,332 9.175,333 2.809,334 3.918,335 3.177,336 5.978,337 3.704,338 2.718,339 3.164,340 0.555,341 8.505,342 2.676,343 3.813,344 3.166,345 5.722,346 3.499,347 2.5,348 3,349 0.424,350 7.625,351 2.496,352 3.706,353 2.944,354 5.357,355 3.413,356 2.435,357 2.837,358 0.3,359 6.847,360 2.394,361 3.543,362 2.748,363 5.311,364 3.362,365 2.378,366 2.584,367 0.114,368 6.75,369 2.316,370 3.419,371 2.723,372 5.286,373 3.158,374 2.17,375 2.534,377 6.592,378 2.132,379 3.304,380 2.475,381 5.072,382 3.038,383 2.049,384 2.333,386 5.672,387 1.991,388 2.932,389 2.07,390 4.886,391 2.793,392 1.824,393 2.086,395 5.46,396 1.764,397 2.838,398 1.987,399 4.28,400 2.524,401 1.526,402 1.852,404 3.797,405 1.518,406 2.699,407 1.941,408 3.992,409 2.475,410 1.476,411 1.722,413 3.184,414 1.471,415 2.527,416 1.752,417 3.786,418 2.395,419 1.412,420 1.512,422 3.123,423 1.382,424 2.5,425 1.491,426 3.593,427 2.246,428 1.266,429 1.5,431 2.79,432 1.234,433 23.9,434 0.469,435 1.595,436 0.031,437 48,438 0.941,439 16,440 0.314,441 32,442 0.627,443 79.281,444 1.555,445 60.7,446 0.547,447 47.971,448 0.941,449 8.182,450 0.16,451 15.981,452 0.313,453 0.195,454 0.042,455 0.268,459 0.778,460 1.525,461 0.962,462 1.32,463 0.638,464 1.184,465 0.588,466 1.29,467 0.91,468 1.199,469 0.51,470 1.115,471 1.106,472 1.114,473 1.136,474 1.136,475 0.948,476 1.138,477 1.095,478 1.048,479 0.915,480 0.979,481 1.184,482 0.927,483 1.36,484 0.945,485 1.022,486 0.886,487 1.516,488 0.898,489 1.359,490 1.064,491 1.038,492 1.014,493 1.445,494 0.982,495 1.398,496 1.087,497 1.079,498 1.038,499 1.49,500 1.013,501 1.244,502 0.902,503 1.001,504 0.867,505 1.317,506 0.891,507 13,508 0.691,509 5.556,510 4.833,511 3.112,512 2.198,513 1.814,514 1.451,515 1.171,516 0.91,517 43728,518 96408,519 1.962,520 54.1,521 16,522 11,523 1,524 1,525 5,526 3,527 23,529 1.867,530 1.8,531 3.781,532 1.968,535 162.616,536 1.465,537 3.435,538 4.925,539 5.787,540 5.898,541 5.898,542 3.209,543 5.118,544 5.645,545 4.008,546 5110.37,547 10.113,548 104715,552 754.18,553 1.667,554 5.571,555 0.241,556 0.007,557 0.073,558 0.064,559 0.038,560 0.024,561 0.018,562 0.014,563 0.011,564 0.009,565 0.499,566 0.17,567 0.63,568 1.249,569 305.356,570 -0.043,571 -0.13,572 0.033,573 -0.031,574 -0.043,575 0.007,576 0.215,577 -0.072,578 0.078,579 -0.053,580 0.113,581 -0.018,582 -0.056,583 -0.026,584 -0.125,585 -0.097,586 -0.067,587 -0.119,588 0.01,589 -0.076,590 0.093,591 -0.011,592 0.016,593 0.046,594 0.1,595 0.078,596 0.051,597 0.065,598 0.107,599 0.051,600 -0.052,601 -0.009,602 0.01,603 -0.006,604 -0.051,605 0.009,606 -0.081,607 -0.055,608 -0.032,609 -0.04,610 -0.055,611 -0.03,612 0.01,613 0.102,614 0.035,615 0.099,616 0.02,617 0.075,618 2.435,619 7.299,620 0.431,621 65.136,622 0.995,623 1.139,624 2.255,625 5.087,626 0.615,627 4.007,628 4.344,629 4.522,630 4.771,631 4.905,632 4.949,633 5.063,634 5.182,635 5.273,636 5.313,637 9.114,638 0.573,639 709.05,640 4.007,641 5.565,642 6.389,643 7.273,644 8.12,645 9.01,646 9.87,647 10.763,648 11.632,649 12.528,650 5.4,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 111,677 15,678 1,679 54,680 114,681 39,682 9,683 1,684 5,686 4,687 4,690 6,694 6,695 3,697 15,698 13,699 26,700 4,701 4,704 4,708 4,713 60,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 2,740 2,741 1,750 1,751 1,753 4,756 6,759 51,762 1,763 12,764 3,765 1,767 6,768 1,769 2,772 5.4,773 1,775 4,777 1,778 28.333,779 20.767,780 11.167,781 7.196,783 0.941,784 1.119,785 0.892,786 14.977,787 8.843,788 4.167,789 4.613,790 4.921,791 5.304,792 5.498,793 5.478,794 5.699,795 5.913,796 6.04,797 6.111,798 0.9,799 75,800 19.374,801 8.467,802 7.794,803 36.892,804 30.877,805 2.294,806 117,809 647.411,810 174.803,811 90.728,813 154.263,816 174.803,817 801.674,818 90.728,819 52.951,820 87.142,821 99.112,822 151.869,823 33.728,824 18.534,825 623.868,827 647.411,828 265.53,829 154.263,831 376.675,832 382.315,833 42.683,835 168.254,836 80.491,837 16.786,839 647.411,840 244.991,841 174.803,844 647.411,845 56.804,846 121.123,847 70.818,848 171.048,849 647.411,850 244.991,851 174.803,852 0.583,853 0.317,854 0.171,855 0.091,856 31,857 17,858 0.158,859 18,861 1,862 5.383,863 554.146,865 22,866 274.539,870 40.83,871 18.708,872 12.324,874 228.205,875 12.442,876 4.3,877 2.901,879 1.369,880 113.501,881 1067.2,882 63.5,885 54.929,889 -1.888,891 110.432,892 126.457,893 0.216,894 0.506,895 0.725,896 0.852,897 0.868,898 0.868,899 5.45,900 2.378,901 6.418,902 6.847,903 5.03,904 5.301,905 3.381,906 7.256,907 4.976,908 6.626,909 2.17,910 8.003,911 6.75,912 4.844,913 5.112,914 2.895,915 8.429,916 4.762,917 7.923,918 2.049,919 9.701,920 6.592,921 6.706,922 7.219,923 4.505,924 11.447,925 6.586,926 9.247,927 1.824,928 11.467,929 5.672,930 7.307,931 7.767,932 4.617,933 13.437,934 7.148,935 10.604,936 1.526,937 13.278,938 5.46,939 8.71,940 9.413,941 5.797,942 16.086,943 8.517,944 11.98,945 1.476,946 15.121,947 3.797,948 9.649,949 10.279,950 6.175,951 18.409,952 9.411,953 13.374,954 1.412,955 16.988,956 3.184,957 10.902,958 11.745,959 7.16,960 20.972,961 10.63,962 3.528,963 1.266,964 18.876,965 3.123,966 11.992,967 12.767,968 7.684,969 23.436,970 11.675,971 3.136,972 13.219,973 20.78,974 2.79,975 13.204,976 14.15,977 8.566,978 25.989,979 12.852,980 2.984,981 10.161,982 22.699,983 3.649,984 14.363,985 15.258,986 9.177,987 28.515,988 13.97,989 2.875,990 9.96,991 24.63,992 3.508,993 15.572,994 16.598,995 10.003,996 31.075,997 15.142,998 2.718,999 9.175,1000 26.571,1001 3.472,1002 16.766,1003 17.757,1004 10.668,1005 33.629,1006 16.298,1007 2.5,1008 8.505,1009 28.523,1010 3.237,1011 17.982,1012 19.073,1013 11.464,1014 36.196,1015 17.478,1016 2.435,1017 7.625,1018 30.482,1019 3.164,1020 19.197,1021 20.266,1022 12.162,1023 38.763,1024 18.657,1025 42893,1026 64065,1027 34.383,1028 68.319,1029 81.462,1030 84.164,1031 82.169,1032 80.006,1033 80.05,1034 91.822,1035 18.86,1036 231.85,1037 78.014,1038 5.57,1039 6.005,1040 7.33,1041 5.569,1042 5.528,1043 6.649,1044 3.892,1045 21.214,1046 5.41,1047 33.501,1048 1.509,1049 1.559,1050 1.522,1051 1.482,1052 1.482,1053 1.7,1054 0.349,1055 4.294,1056 1.445,1057 4.036,1058 4.084,1059 3.952,1060 3.906,1061 7.44,1062 3.907,1063 3.937,1064 3.984,1065 3.865,1066 3.844,1067 7.429,1068 3.841,1069 3.905,1070 3.952,1071 3.838,1072 3.758,1073 7.426,1074 3.76,1075 3.872,1076 3.928,1077 3.745,1078 3.733,1079 7.423,1080 3.742,1081 3.754,1082 3.794,1083 3.671,1084 3.568,1085 6.448,1086 3.577,1087 3.703,1088 3.758,1089 3.606,1090 3.514,1091 4.988,1092 3.522,1093 3.635,1094 3.7,1095 3.5,1096 3.475,1097 4.754,1098 3.473,1099 3.582,1100 3.644,1101 3.426,1102 3.415,1103 4.568,1104 3.414,1105 0.085,1106 0.074,1107 0.138,1108 0.083,1109 0.065,1110 4.57,1111 0.068,1112 4.005,1113 0.041,1114 7.473,1115 0.245,1116 4.495,1117 0.063,1118 3.528,1119 3.649,1120 2.189,1121 13.219,1122 3.41,1123 1.926,1124 1.896,1125 2.126,1126 2.059,1127 1.536,1128 2.082,1129 1.915,1130 1.865,1131 2.056,1132 2.026,1133 1.336,1134 2.035,1135 1.77,1136 1.718,1137 1.996,1138 1.944,1139 1.274,1140 1.963,1141 1.744,1142 1.69,1143 1.947,1144 1.937,1145 1.241,1146 1.936,1147 1.704,1148 1.657,1149 1.944,1150 1.906,1151 1.154,1152 1.915,1153 1.688,1154 1.639,1155 1.881,1156 1.865,1157 1.118,1158 1.876,1159 1.58,1160 1.516,1161 1.814,1162 1.774,1163 1.111,1164 1.797,1165 1.532,1166 1.484,1167 1.71,1168 1.739,1169 0.93,1170 1.732,1171 4.691,1173 6.023,1174 3.045,1175 7.519,1176 5.416,1177 9.091,1178 7.526,1179 10.708,1180 11.382,1184 11.97,1185 9.052,1186 8.68,1187 5.464,1189 -4.29,1190 1.884,1191 -1.194,1192 63.641,1193 162.616,1194 381.292,1195 546.679,1196 642.367,1197 654.631,1198 654.631,1199 223.48,1200 7.901,1201 165.75,1202 165.75,1203 22,1204 13.058,1205 4,1206 3.392,1207 106.806,1208 273,1209 315,1210 0.18,1211 393.695,1212 707,1213 952.375,1214 27106,1216 37.183,1217 0.729,1218 0.615,1219 37.183,1220 31.374,1221 24.163,1222 0.447,1223 0.348,1224 18.563,1225 23.278,1226 17.93,1227 14.992,1228 24.163,1229 18.779,1230 23.001,1231 0.303,1232 0.211,1233 23.001,1234 16.026,1235 16.82,1236 0.185,1237 0.111,1238 16.82,1239 10.124,1240 14.056,1241 0.12,1242 0.064,1243 14.056,1244 7.462,1245 10.336,1246 0.077,1247 0.039,1248 10.336,1249 5.202,1250 0.281,1251 151.32,1252 0.171,1253 42.945,1254 0.502,1255 260,1256 701.449,1257 288.57,1258 666.573,1259 882.94,1260 618,1261 297,1262 627.682,1263 323.526,1264 630.543,1265 912.01,1266 590,1267 6.939} {0 CHEMBL354505,1 1.508,2 13.625,3 3.697,4 13.666,5 181.28,6 6.649,7 0.216,8 4.666,9 4.802,10 4.11,11 4.132,12 5.704,13 4.098,14 5.26,15 5.453,16 4.492,17 4.559,18 6.265,19 4.491,20 5.615,21 5.844,22 4.542,23 4.746,24 6.584,25 4.64,26 5.749,27 6.009,28 4.608,29 4.759,30 6.791,31 4.657,32 5.721,33 5.96,34 4.721,35 4.75,36 6.952,37 4.684,38 5.752,39 5.981,40 4.782,41 4.842,42 6.862,43 4.779,44 5.863,45 6.087,46 4.866,47 4.95,48 6.999,49 4.881,50 5.957,51 6.195,52 4.89,53 5.03,54 7.085,55 4.942,56 0.063,57 1.432,58 23.532,59 9.202,60 21.398,61 13.175,62 0.591,63 2.291,64 44.253,65 15.624,66 73.316,67 23.037,68 0.872,69 2.852,70 64.801,71 20.954,72 122.166,73 30.996,74 1.07,75 3.006,76 75.405,77 21.875,78 183.758,79 33.583,80 1.678,81 2.992,82 74.409,83 20.18,84 280.258,85 31.019,86 1.161,87 3.191,88 75.6,89 22.018,90 190.869,91 33.044,92 1.269,93 3.539,94 84.525,95 24.843,96 223.105,97 37.025,98 1.835,99 3.866,100 93.316,101 27.041,102 290.368,103 40.864,104 108,105 71,106 0.221,107 0.542,108 0.761,109 0.841,110 0.859,111 0.859,112 3.895,113 1.002,114 -2.89,115 -2.89,116 -2.8,117 36,118 3,119 9,120 2,122 1,125 5,127 1,130 1,131 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 16,156 2,157 8,160 5,162 4,163 20,167 4,169 2,170 3,171 8,174 13,178 9,181 3,183 10,186 5,189 4,190 9,192 7,193 1,194 11,197 5,200 1,201 12,204 2,205 3,206 12,208 11,211 2,212 20,215 2,217 10,220 13,223 2,224 17,226 6,227 1,228 7,231 15,235 2,236 13,240 2,241 10,243 19,246 5858,247 31.455,248 31.455,249 31.455,250 31.455,251 31.455,252 29.484,253 32.482,254 18.59,255 31.936,256 25.107,257 25.107,258 25.107,259 25.107,260 25.107,261 21.999,262 37.814,263 8.821,264 25.842,265 5.136,266 2.942,267 1.447,268 0.903,269 0.78,270 0.78,271 4.577,276 1364,277 6.205,279 356.126,280 422.827,285 1.906,286 74.366,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 105,297 654,298 4.313,299 3.905,300 6.791,301 4.2,302 3.225,303 3.509,304 2.189,305 11.013,306 3.142,307 4.177,308 3.847,309 6.448,310 4.074,311 3.136,312 3.472,313 1.983,314 10.161,315 2.934,316 4.105,317 3.751,318 6.234,319 3.928,320 2.947,321 3.439,322 1.943,323 9.293,324 2.882,325 3.987,326 3.623,327 6.134,328 3.781,329 2.803,330 3.236,331 1.923,332 8.904,333 2.742,334 3.863,335 3.167,336 5.951,337 3.663,338 2.685,339 3.157,340 0.736,341 8.391,342 2.626,343 3.791,344 2.979,345 5.489,346 3.418,347 2.441,348 2.978,349 0.424,350 7.113,351 2.395,352 3.654,353 2.755,354 5.311,355 3.407,356 2.418,357 2.721,358 0.3,359 6.844,360 2.378,361 3.433,362 2.74,363 5.287,364 3.332,365 2.358,366 2.536,367 0.114,368 6.727,369 2.28,370 3.413,371 2.722,372 5.178,373 3.049,374 2.064,375 2.437,376 0.079,377 5.978,378 2,379 3.168,380 2.473,381 4.891,382 2.936,383 1.937,384 2.203,386 5.584,387 1.926,388 2.93,389 2.067,390 4.76,391 2.623,392 1.644,393 2.086,395 4.716,396 1.6,397 2.77,398 1.965,399 4.235,400 2.517,401 1.516,402 1.796,404 3.73,405 1.513,406 2.642,407 1.892,408 3.89,409 2.415,410 1.426,411 1.646,413 3.143,414 1.407,415 2.5,416 1.491,417 3.721,418 2.273,419 1.298,420 1.5,422 3.045,423 1.257,424 2.47,425 1.471,426 3.553,427 2.111,428 1.155,429 1.437,431 2.739,432 1.095,433 22.4,434 0.467,435 1.418,436 0.03,437 47.5,438 0.99,439 17,440 0.354,441 30.5,442 0.635,443 66.619,444 1.388,445 56.2,446 0.562,447 49.081,448 1.023,449 8.751,450 0.182,451 14.088,452 0.294,453 0.186,454 0.022,455 0.308,459 0.781,460 1.5,461 0.917,462 1.278,463 0.645,464 1.135,465 0.611,466 1.253,467 0.918,468 1.184,469 0.532,470 1.11,471 1.081,472 1.123,473 1.115,474 1.151,475 0.953,476 1.143,477 1.162,478 1.037,479 0.952,480 0.97,481 1.26,482 0.932,483 1.236,484 0.954,485 0.982,486 0.888,487 1.329,488 0.888,489 1.333,490 1.02,491 1.004,492 0.962,493 1.397,494 0.93,495 1.406,496 1.089,497 1.062,498 1.024,499 1.479,500 0.992,501 1.281,502 0.937,503 1.077,504 0.911,505 1.357,506 0.951,507 11.5,508 0.596,509 4.889,510 4.111,511 2.792,512 1.841,513 1.636,514 1.294,515 1.072,516 0.82,517 37497,518 89712,519 1.977,520 52,521 11,522 16,523 1,524 1,525 5,526 3,527 15,529 1.853,530 1.817,531 3.69,532 2.025,535 150.826,536 1.508,537 3.701,538 5.197,539 5.741,540 5.863,541 5.863,542 3.063,543 5.095,544 5.559,545 3.919,546 4421.14,547 9.94,548 87319.3,552 664.386,553 1.615,554 5.49,555 0.225,556 0.006,557 0.069,558 0.059,559 0.038,560 0.022,561 0.018,562 0.013,563 0.011,564 0.008,565 0.47,566 0.17,567 0.63,568 1.128,569 282.444,570 -0.054,571 -0.138,572 0.032,573 -0.032,574 -0.049,575 0.008,576 0.195,577 -0.043,578 0.046,579 -0.059,580 0.094,581 -0.038,582 -0.05,583 -0.058,584 -0.121,585 -0.114,586 -0.064,587 -0.13,588 -0.027,589 -0.071,590 0.061,591 -0.009,592 -0.025,593 0.035,594 0.126,595 0.059,596 0.072,597 0.054,598 0.138,599 0.053,600 -0.059,601 0.024,602 0.033,603 0.024,604 -0.052,605 0.042,606 -0.095,607 -0.054,608 -0.023,609 -0.027,610 -0.064,611 -0.014,612 -0.028,613 0.089,614 -0.044,615 0.062,616 -0.018,617 0.014,618 2.461,619 7.135,620 0.458,621 58.583,622 0.999,623 1.138,624 1.656,625 2.742,626 0.623,627 3.951,628 4.277,629 4.466,630 4.691,631 4.812,632 4.86,633 4.97,634 5.075,635 5.17,636 5.22,637 8.716,638 0.585,639 664.94,640 3.951,641 5.501,642 6.326,643 7.2,644 8.043,645 8.92,646 9.772,647 10.651,648 11.51,649 12.39,650 6,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 100,677 16,678 1,679 51,680 103,681 36,682 9,683 1,684 5,686 4,687 4,690 3,694 7,695 2,697 14,698 15,699 21,700 3,701 5,702 1,704 4,706 1,708 4,713 52,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 2,740 2,741 1,744 1,745 1,750 1,751 1,753 4,756 4,759 48,762 1,763 9,764 3,765 1,767 7,768 1,769 1,772 6,773 1,775 4,777 1,778 26.417,779 18.183,780 10.569,781 6.132,783 1.022,784 1.132,785 0.899,786 13.683,787 8.775,788 4.135,789 4.572,790 4.899,791 5.264,792 5.465,793 5.457,794 5.665,795 5.869,796 6.006,797 6.088,798 0.889,799 70,800 18.192,801 7.987,802 7.866,803 34.284,804 28.602,805 2.366,806 113.583,809 553.242,810 174.792,811 90.728,813 154.263,816 174.792,817 707.505,818 90.728,819 34.872,820 95.734,821 108.588,822 151.869,823 33.728,824 18.534,825 529.7,827 553.242,828 265.52,829 154.263,831 376.675,832 288.146,833 42.683,835 134.604,836 104.654,837 26.262,839 553.242,840 244.991,841 174.792,844 553.242,845 49.63,846 112.52,847 70.818,848 186.815,849 553.242,850 244.991,851 174.792,852 0.582,853 0.324,854 0.172,855 0.087,856 29,857 16,858 0.155,859 16,861 1,862 5.224,863 508.103,865 22,866 255.323,870 37.621,871 17.458,872 11.171,874 228.205,875 12.367,876 4.268,877 2.88,879 1.35,880 113.501,881 973.024,882 61.5,883 3.842,885 54.002,887 1.7,889 -2.035,891 99.897,892 113.796,893 0.227,894 0.557,895 0.782,896 0.864,897 0.883,898 0.883,899 5.406,900 2.358,901 6.337,902 6.844,903 4.963,904 5.26,905 3.4,906 7.141,907 4.907,908 6.57,909 2.064,910 7.901,911 6.727,912 4.691,913 4.997,914 2.895,915 8.138,916 4.607,917 7.85,918 1.937,919 9.566,920 5.978,921 6.589,922 7.162,923 4.511,924 11.151,925 6.47,926 9.155,927 1.644,928 11.291,929 5.584,930 7.099,931 7.645,932 4.618,933 12.919,934 6.941,935 10.49,936 1.516,937 13.051,938 4.716,939 8.506,940 9.325,941 5.799,942 15.497,943 8.317,944 11.843,945 1.426,946 14.837,947 3.73,948 9.353,949 10.136,950 6.177,951 17.582,952 9.121,953 13.21,954 1.298,955 16.64,956 3.143,957 10.58,958 11.621,959 7.162,960 20.015,961 10.318,962 3.225,963 1.155,964 18.456,965 3.045,966 11.581,967 12.592,968 7.686,969 22.244,970 11.275,971 3.136,972 11.013,973 20.284,974 2.739,975 12.743,976 13.984,977 8.568,978 24.627,979 12.404,980 2.947,981 10.161,982 22.119,983 3.509,984 13.815,985 15.045,986 9.179,987 26.925,988 13.434,989 2.803,990 9.293,991 23.963,992 3.472,993 14.955,994 16.387,995 10.006,996 29.293,997 14.541,998 2.685,999 8.904,1000 25.812,1001 3.439,1002 16.061,1003 17.501,1004 10.67,1005 31.627,1006 15.608,1007 2.441,1008 8.391,1009 27.667,1010 3.236,1011 17.197,1012 18.813,1013 11.466,1014 33.994,1015 16.709,1016 2.418,1017 7.113,1018 29.527,1019 3.157,1020 18.322,1021 19.962,1022 12.165,1023 36.347,1024 17.796,1025 36609,1026 56877,1027 32.709,1028 62.273,1029 77.173,1030 79.2,1031 77.813,1032 75.449,1033 75.467,1034 87.936,1035 19.384,1036 215.571,1037 73.481,1038 5.313,1039 5.905,1040 6.592,1041 5.274,1042 5.225,1043 6.509,1044 3.892,1045 18.553,1046 5.142,1047 30.723,1048 1.513,1049 1.553,1050 1.526,1051 1.479,1052 1.48,1053 1.724,1054 0.38,1055 4.227,1056 1.441,1057 4.022,1058 4.07,1059 3.94,1060 3.897,1061 7.44,1062 3.897,1063 3.928,1064 3.974,1065 3.852,1066 3.836,1067 7.429,1068 3.832,1069 3.904,1070 3.952,1071 3.837,1072 3.74,1073 7.426,1074 3.753,1075 3.862,1076 3.916,1077 3.737,1078 3.732,1079 7.423,1080 3.733,1081 3.754,1082 3.794,1083 3.671,1084 3.567,1085 6.448,1086 3.576,1087 3.696,1088 3.749,1089 3.604,1090 3.492,1091 4.988,1092 3.512,1093 3.599,1094 3.654,1095 3.489,1096 3.428,1097 4.756,1098 3.433,1099 3.462,1100 3.517,1101 3.346,1102 3.279,1103 4.715,1104 3.29,1105 0.085,1106 0.077,1107 0.133,1108 0.082,1109 0.063,1110 4.313,1111 0.069,1112 3.905,1113 0.043,1114 6.791,1115 0.216,1116 4.2,1117 0.062,1118 3.225,1119 3.509,1120 2.189,1121 11.013,1122 3.142,1123 1.926,1124 1.896,1125 2.126,1126 2.059,1127 1.536,1128 2.082,1129 1.915,1130 1.865,1131 2.056,1132 2.026,1133 1.309,1134 2.035,1135 1.754,1136 1.71,1137 1.947,1138 1.937,1139 1.241,1140 1.936,1141 1.708,1142 1.663,1143 1.935,1144 1.906,1145 1.144,1146 1.915,1147 1.693,1148 1.644,1149 1.876,1150 1.864,1151 1.118,1152 1.877,1153 1.631,1154 1.58,1155 1.818,1156 1.84,1157 1.088,1158 1.832,1159 1.533,1160 1.486,1161 1.711,1162 1.741,1163 0.904,1164 1.733,1165 1.42,1166 1.36,1167 1.66,1168 1.694,1169 0.892,1170 1.671,1171 4.635,1173 5.958,1174 3.045,1175 7.445,1176 5.352,1177 9.002,1178 7.391,1179 10.6,1180 6.894,1184 11.692,1185 6.417,1186 8.562,1187 5.437,1189 -4.599,1190 1.589,1191 -0.782,1192 58.534,1193 150.826,1194 370.136,1195 519.659,1196 574.082,1197 586.347,1198 586.347,1199 198.901,1200 7.753,1201 165.75,1202 165.75,1203 22,1204 12.931,1205 4.087,1206 3.524,1207 96.792,1208 244,1209 242,1210 0.181,1211 361.99,1212 652.46,1213 875.017,1214 22459,1216 34.846,1217 0.726,1218 0.596,1219 34.846,1220 28.614,1221 22.84,1222 0.448,1223 0.334,1224 16.812,1225 21.95,1226 16.32,1227 13.586,1228 22.84,1229 17.034,1230 21.323,1231 0.3,1232 0.199,1233 21.323,1234 14.154,1235 16.223,1236 0.189,1237 0.108,1238 16.223,1239 9.285,1240 13.189,1241 0.122,1242 0.062,1243 13.189,1244 6.716,1245 9.514,1246 0.078,1247 0.037,1248 9.514,1249 4.518,1250 0.282,1251 143.487,1252 0.175,1253 40.946,1254 0.505,1255 244,1256 693.449,1257 271.904,1258 658.31,1259 868.13,1260 610,1261 279,1262 611.978,1263 305.193,1264 614.503,1265 887.58,1266 575,1267 6.444} {0 CHEMBL355128,1 1.521,2 12.935,3 3.051,4 9.31,5 172.447,6 6.655,7 0.224,8 4.629,9 4.765,10 4.074,11 4.087,12 5.655,13 4.055,14 5.229,15 5.424,16 4.453,17 4.517,18 6.233,19 4.45,20 5.578,21 5.809,22 4.481,23 4.691,24 6.545,25 4.582,26 5.697,27 5.961,28 4.543,29 4.683,30 6.736,31 4.583,32 5.649,33 5.885,34 4.669,35 4.677,36 6.882,37 4.619,38 5.693,39 5.92,40 4.737,41 4.792,42 6.794,43 4.731,44 5.822,45 6.047,46 4.826,47 4.902,48 6.958,49 4.835,50 5.911,51 6.148,52 4.837,53 4.973,54 7.045,55 4.886,56 0.057,57 1.38,58 22.691,59 8.791,60 18.753,61 12.626,62 0.592,63 2.201,64 43.007,65 15.015,66 70.823,67 22.196,68 0.859,69 2.693,70 62.585,71 20.014,72 117.448,73 29.697,74 1.076,75 2.779,76 71.964,77 20.26,78 179.489,79 31.407,80 1.656,81 2.771,82 69.46,83 18.308,84 262.018,85 28.391,86 1.091,87 3.016,88 71.168,89 20.652,90 169.285,91 31.15,92 1.221,93 3.354,94 81.145,95 23.67,96 210.685,97 35.428,98 1.822,99 3.64,100 89.386,101 25.446,102 283.508,103 38.621,104 86,105 68,106 0.225,107 0.535,108 0.755,109 0.835,110 0.854,111 0.854,112 3.853,113 1.007,114 -2.6,115 -2.62,116 -2.55,117 35.4,118 3,119 9,120 2,122 1,123 1,125 4,127 1,135 5,136 1,139 1,141 1,145 3,146 1,147 1,154 15,156 2,157 7,160 5,162 4,163 19,167 3,169 2,170 3,171 8,174 11,178 8,181 3,183 10,186 4,189 4,190 8,192 7,193 1,194 10,197 5,200 1,201 12,204 2,205 3,206 10,208 10,211 2,212 20,215 2,217 9,220 11,223 2,224 16,226 6,227 1,228 7,231 12,235 2,236 12,240 2,241 9,243 14,246 5278,247 30.084,248 30.084,249 30.084,250 30.084,251 30.084,252 28.191,253 30.603,254 17.868,255 30.572,256 24.196,257 24.196,258 24.196,259 24.196,260 24.196,261 21.244,262 35.284,263 8.573,264 24.926,265 5.064,266 2.965,267 1.479,268 0.941,269 0.813,270 0.813,271 4.536,276 1245,277 6.083,279 340.986,280 403.61,285 1.903,286 71.214,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 101,297 595,298 4.24,299 3.864,300 6.687,301 4.128,302 3.149,303 3.509,304 2.189,305 10.632,306 3.077,307 4.176,308 3.843,309 6.448,310 4.074,311 3.135,312 3.472,313 1.983,314 10.161,315 2.934,316 4.099,317 3.751,318 6.198,319 3.918,320 2.935,321 3.365,322 1.94,323 9.225,324 2.876,325 3.985,326 3.623,327 6.024,328 3.754,329 2.769,330 3.235,331 1.923,332 8.625,333 2.725,334 3.849,335 3.167,336 5.886,337 3.63,338 2.651,339 3.153,340 0.555,341 8.132,342 2.6,343 3.778,344 2.967,345 5.352,346 3.414,347 2.438,348 2.971,349 0.424,350 6.856,351 2.394,352 3.632,353 2.749,354 5.311,355 3.385,356 2.396,357 2.689,358 0.3,359 6.808,360 2.344,361 3.421,362 2.723,363 5.286,364 3.287,365 2.32,366 2.535,367 0.114,368 6.689,369 2.232,370 3.371,371 2.474,372 4.93,373 3.042,374 2.056,375 2.382,377 5.631,378 1.993,379 2.931,380 2.157,381 4.873,382 2.703,383 1.747,384 2.087,386 5.167,387 1.665,388 2.786,389 2.067,390 4.236,391 2.518,392 1.518,393 1.813,395 3.734,396 1.514,397 2.656,398 1.965,399 3.938,400 2.418,401 1.428,402 1.667,404 3.144,405 1.41,406 2.5,407 1.89,408 3.818,409 2.284,410 1.308,411 1.5,413 3.061,414 1.267,415 2.479,416 1.491,417 3.656,418 2.184,419 1.166,420 1.439,422 2.817,423 1.177,424 2.47,425 1.435,426 3.552,427 2.11,428 1.149,429 1.398,431 2.737,432 1.095,433 21.4,434 0.465,435 1.367,436 0.03,437 45.5,438 0.989,439 16,440 0.348,441 29.5,442 0.641,443 62.949,444 1.368,445 54.2,446 0.565,447 45.158,448 0.982,449 8.248,450 0.179,451 13.643,452 0.297,453 0.171,454 0.023,455 0.299,459 0.782,460 1.527,461 0.914,462 1.294,463 0.625,464 1.143,465 0.612,466 1.236,467 0.918,468 1.18,469 0.522,470 1.108,471 1.068,472 1.131,473 1.122,474 1.174,475 0.954,476 1.163,477 1.169,478 1.022,479 0.934,480 0.945,481 1.285,482 0.906,483 1.245,484 0.942,485 0.985,486 0.862,487 1.332,488 0.872,489 1.275,490 1.034,491 1.005,492 0.982,493 1.336,494 0.948,495 1.358,496 1.091,497 1.043,498 1.031,499 1.446,500 0.99,501 1.29,502 0.953,503 1.096,504 0.926,505 1.381,506 0.969,507 11,508 0.523,509 4.667,510 3.542,511 2.462,512 1.674,513 1.607,514 1.191,515 0.949,516 0.787,517 33847,518 80907,519 1.988,520 52.1,521 11,522 14,523 1,524 1,525 5,526 3,527 15,529 1.843,530 1.834,531 3.632,532 2.066,535 145.97,536 1.521,537 3.62,538 5.106,539 5.644,540 5.772,541 5.772,542 3.024,543 5.012,544 5.498,545 3.873,546 4008.67,547 9.816,548 77156.2,552 632.156,553 1.596,554 5.433,555 0.224,556 0.006,557 0.069,558 0.054,559 0.036,560 0.021,561 0.018,562 0.013,563 0.01,564 0.009,565 0.46,566 0.17,567 0.63,568 1.061,569 267.517,570 -0.057,571 -0.147,572 0.033,573 -0.034,574 -0.04,575 0.008,576 0.189,577 -0.022,578 0.044,579 -0.05,580 0.1,581 -0.033,582 -0.049,583 -0.072,584 -0.131,585 -0.134,586 -0.063,587 -0.147,588 -0.029,589 -0.073,590 0.08,591 0.008,592 -0.029,593 0.056,594 0.119,595 0.08,596 0.072,597 0.078,598 0.131,599 0.068,600 -0.055,601 0.027,602 0.025,603 0.015,604 -0.051,605 0.033,606 -0.085,607 -0.056,608 -0.01,609 -0.028,610 -0.051,611 -0.007,612 -0.037,613 0.072,614 -0.062,615 0.05,616 -0.025,617 -0.003,618 2.418,619 7.031,620 0.478,621 54.881,622 1,623 1.139,624 1.37,625 1.877,626 0.62,627 3.912,628 4.234,629 4.407,630 4.625,631 4.727,632 4.771,633 4.905,634 5.011,635 5.088,636 5.13,637 8.494,638 0.583,639 638.9,640 3.912,641 5.46,642 6.279,643 7.148,644 7.983,645 8.854,646 9.699,647 10.571,648 11.422,649 12.295,650 6.3,657 4,658 1,660 1,662 7,663 1,664 1,666 2,667 11,676 96,677 15,678 1,679 49,680 99,681 34,682 9,683 1,684 5,686 4,687 4,690 3,694 6,695 2,697 13,698 13,699 21,700 3,701 4,704 4,708 4,713 50,714 11,715 5,716 12,718 1,719 6,721 1,722 6,724 1,731 2,732 2,740 2,741 1,750 1,751 1,753 4,756 4,759 46,762 1,763 10,764 3,765 1,767 6,768 1,769 1,772 6.3,773 1,775 4,777 1,778 25.083,779 17.517,780 10.042,781 5.971,783 1.024,784 1.134,785 0.902,786 13.081,787 8.668,788 4.086,789 4.53,790 4.845,791 5.205,792 5.39,793 5.373,794 5.616,795 5.826,796 5.948,797 6.027,798 1,799 65,800 17.442,801 7.655,802 7.864,803 32.95,804 27.506,805 2.364,806 108.75,809 529.7,810 151.655,811 90.728,813 154.263,816 151.655,817 683.963,818 90.728,819 34.872,820 82.073,821 99.112,822 151.869,823 33.728,824 18.534,825 506.157,827 529.7,828 242.382,829 154.263,831 353.133,832 288.146,833 42.683,835 136.71,836 88.887,837 16.786,839 529.7,840 244.991,841 151.655,844 529.7,845 51.735,846 103.044,847 70.818,848 171.048,849 529.7,850 244.991,851 151.655,852 0.584,853 0.318,854 0.167,855 0.084,856 28,857 15,858 0.152,859 15,861 1,862 5.132,863 477.097,865 22,866 241.329,870 35.911,871 16.756,872 11.087,874 228.205,875 12.389,876 4.26,877 2.879,879 1.367,880 113.501,881 926.345,882 58.5,885 53.477,889 -1.944,891 96.014,892 109.381,893 0.231,894 0.55,895 0.775,896 0.857,897 0.877,898 0.877,899 5.355,900 2.32,901 6.286,902 6.808,903 4.92,904 5.218,905 3.381,906 7.077,907 4.863,908 6.518,909 2.056,910 7.841,911 6.689,912 4.635,913 4.956,914 2.895,915 8.057,916 4.552,917 7.798,918 1.747,919 9.498,920 5.631,921 6.535,922 7.121,923 4.505,924 11.056,925 6.416,926 9.102,927 1.518,928 11.214,929 5.167,930 7.031,931 7.601,932 4.617,933 12.809,934 6.877,935 10.435,936 1.428,937 12.968,938 3.734,939 8.438,940 9.286,941 5.797,942 15.367,943 8.253,944 11.786,945 1.308,946 14.746,947 3.144,948 9.27,949 10.089,950 6.175,951 17.432,952 9.045,953 13.15,954 1.166,955 16.541,956 3.061,957 10.493,958 11.579,959 7.16,960 19.843,961 10.238,962 3.149,963 1.149,964 18.35,965 2.817,966 11.478,967 12.541,968 7.684,969 22.048,970 11.18,971 3.135,972 10.632,973 20.169,974 2.737,975 12.632,976 13.937,977 8.566,978 24.406,979 12.302,980 2.935,981 10.161,982 21.997,983 3.509,984 13.688,985 14.987,986 9.177,987 26.676,988 13.316,989 2.769,990 9.225,991 23.831,992 3.472,993 14.818,994 16.331,995 10.003,996 29.018,997 14.411,998 2.651,999 8.625,1000 25.672,1001 3.365,1002 15.909,1003 17.436,1004 10.668,1005 31.321,1006 15.461,1007 2.438,1008 8.132,1009 27.517,1010 3.235,1011 17.033,1012 18.749,1013 11.464,1014 33.659,1015 16.549,1016 2.396,1017 6.856,1018 29.367,1019 3.153,1020 18.142,1021 19.889,1022 12.162,1023 35.98,1024 17.618,1025 32914,1026 51135,1027 31.611,1028 59.512,1029 73.877,1030 76.186,1031 74.409,1032 72.57,1033 72.599,1034 84.382,1035 18.86,1036 205.747,1037 70.639,1038 5.24,1039 5.864,1040 6.489,1041 5.202,1042 5.149,1043 6.509,1044 3.892,1045 18,1046 5.077,1047 28.295,1048 1.508,1049 1.555,1050 1.519,1051 1.481,1052 1.482,1053 1.722,1054 0.385,1055 4.199,1056 1.442,1057 4.014,1058 4.063,1059 3.932,1060 3.892,1061 7.44,1062 3.89,1063 3.922,1064 3.968,1065 3.84,1066 3.828,1067 7.429,1068 3.824,1069 3.902,1070 3.952,1071 3.831,1072 3.733,1073 7.426,1074 3.749,1075 3.847,1076 3.902,1077 3.723,1078 3.706,1079 7.423,1080 3.707,1081 3.754,1082 3.794,1083 3.671,1084 3.567,1085 6.448,1086 3.576,1087 3.691,1088 3.745,1089 3.601,1090 3.483,1091 4.988,1092 3.506,1093 3.586,1094 3.643,1095 3.479,1096 3.396,1097 4.753,1098 3.407,1099 3.441,1100 3.502,1101 3.315,1102 3.25,1103 4.567,1104 3.257,1105 0.087,1106 0.079,1107 0.136,1108 0.084,1109 0.064,1110 4.24,1111 0.072,1112 3.864,1113 0.045,1114 6.687,1115 0.217,1116 4.128,1117 0.063,1118 3.149,1119 3.509,1120 2.189,1121 10.632,1122 3.077,1123 1.926,1124 1.896,1125 2.126,1126 2.059,1127 1.536,1128 2.082,1129 1.914,1130 1.864,1131 2.056,1132 2.026,1133 1.303,1134 2.035,1135 1.749,1136 1.705,1137 1.947,1138 1.937,1139 1.241,1140 1.934,1141 1.701,1142 1.655,1143 1.922,1144 1.905,1145 1.141,1146 1.914,1147 1.677,1148 1.633,1149 1.857,1150 1.853,1151 1.118,1152 1.857,1153 1.534,1154 1.486,1155 1.771,1156 1.782,1157 1.073,1158 1.782,1159 1.516,1160 1.437,1161 1.71,1162 1.741,1163 0.892,1164 1.733,1165 1.419,1166 1.36,1167 1.659,1168 1.693,1169 0.886,1170 1.67,1171 4.595,1173 5.916,1174 3.045,1175 7.396,1176 5.283,1177 8.945,1178 7.248,1179 10.532,1180 6.922,1184 11.513,1185 7.211,1186 8.551,1187 5.428,1189 -4.138,1190 1.61,1191 -0.774,1192 56.007,1193 145.97,1194 347.558,1195 490.185,1196 541.853,1197 554.117,1198 554.117,1199 181.614,1200 7.644,1201 165.75,1202 165.75,1203 22,1204 12.84,1205 4,1206 3.392,1207 90.383,1208 227,1209 218,1210 0.181,1211 345.733,1212 620.5,1213 835.349,1214 19671,1216 33.269,1217 0.723,1218 0.597,1219 33.269,1220 27.46,1221 21.891,1222 0.447,1223 0.336,1224 16.219,1225 20.997,1226 15.753,1227 13.099,1228 21.891,1229 16.442,1230 20.614,1231 0.303,1232 0.202,1233 20.614,1234 13.715,1235 15.404,1236 0.19,1237 0.109,1238 15.404,1239 8.824,1240 12.503,1241 0.124,1242 0.063,1243 12.503,1244 6.398,1245 8.886,1246 0.079,1247 0.038,1248 8.886,1249 4.275,1250 0.281,1251 137.832,1252 0.178,1253 39.632,1254 0.505,1255 234,1256 675.449,1257 261.571,1258 638.721,1259 840.22,1260 592,1261 266,1262 589.626,1263 291.86,1264 591.404,1265 852.99,1266 553,1267 5} {0 CHEMBL403727,1 1.542,2 14.535,3 5.69,4 32.381,5 162.441,6 7.069,7 0.391,8 4.499,9 4.621,10 3.998,11 4.015,12 5.587,13 3.985,14 5.066,15 5.247,16 4.36,17 4.404,18 6.138,19 4.353,20 5.39,21 5.611,22 4.45,23 4.546,24 6.458,25 4.472,26 5.463,27 5.699,28 4.492,29 4.565,30 6.587,31 4.496,32 5.471,33 5.676,34 4.538,35 4.65,36 6.64,37 4.576,38 5.615,39 5.853,40 4.565,41 4.73,42 6.742,43 4.63,44 5.592,45 5.824,46 4.576,47 4.74,48 6.713,49 4.64,50 5.606,51 5.845,52 4.586,53 4.71,54 6.801,55 4.613,56 0.062,57 1.291,58 18.273,59 8.322,60 18.732,61 10.785,62 0.317,63 2.076,64 34.706,65 13.588,66 49.072,67 18.35,68 0.746,69 2.585,70 51.361,71 17.614,72 105.201,73 23.996,74 1.008,75 2.727,76 56.64,77 18.185,78 167.275,79 25.094,80 0.866,81 2.778,82 55.245,83 19.21,84 158.803,85 25.937,86 1.327,87 3.033,88 65.651,89 21.897,90 199.887,91 30.548,92 0.956,93 3.093,94 63.239,95 22.775,96 180.571,97 31.001,98 1.242,99 3.168,100 65.199,101 22.322,102 220.168,103 30.672,104 75,105 63,106 0.233,107 0.545,108 0.75,109 0.839,110 0.847,111 0.851,112 3.788,113 0.976,114 -5.34,115 -5.22,116 -4.88,117 40.5,118 3,119 4,123 3,125 4,135 11,136 4,137 3,145 2,154 16,156 1,157 8,160 1,162 3,163 17,167 10,169 1,170 2,171 5,174 8,178 10,182 1,183 7,186 9,190 9,192 2,194 8,197 14,200 2,201 4,204 4,206 8,208 19,212 1,217 8,220 18,223 1,224 8,228 11,231 16,236 6,239 2,241 7,243 12,246 4660,247 28.703,248 28.703,249 28.703,250 28.703,251 28.703,252 26.244,253 34.369,254 17.212,255 29.151,256 22.665,257 22.665,258 22.665,259 22.665,260 22.665,261 18.884,262 41.539,263 8.096,264 23.449,265 4.85,266 2.786,267 1.43,268 0.845,269 0.789,270 0.765,271 4.475,275 1,276 1312,277 5.148,279 142.951,280 519.088,285 2.082,286 68.454,288 0.75,289 0.67,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.74,296 94.5,297 625,298 4.378,299 3.702,300 6.451,301 4.056,302 3.072,303 3.996,304 1.2,305 9.954,306 3.034,307 4.187,308 3.577,309 6.416,310 3.978,311 3.007,312 3.813,313 1.058,314 9.805,315 2.905,316 4.05,317 3.233,318 6.037,319 3.739,320 2.777,321 3.458,322 0.86,323 8.64,324 2.688,325 3.977,326 3.139,327 5.713,328 3.715,329 2.734,330 3.321,331 0.4,332 8.06,333 2.658,334 3.881,335 2.978,336 5.591,337 3.546,338 2.605,339 3.012,340 0.293,341 7.671,342 2.441,343 3.6,344 2.653,345 5.333,346 3.326,347 2.357,348 2.842,350 6.791,351 2.28,352 3.447,353 2.592,354 5.238,355 3.196,356 2.209,357 2.613,359 6.424,360 2.168,361 3.235,362 2.554,363 4.927,364 2.943,365 1.984,366 2.481,368 5.695,369 1.887,370 3.232,371 2.327,372 4.844,373 2.904,374 1.92,375 2.374,377 5.381,378 1.881,379 3.154,380 2.315,381 4.704,382 2.787,383 1.879,384 2.277,386 4.963,387 1.678,388 2.921,389 1.917,390 4.618,391 2.627,392 1.67,393 2.05,395 4.947,396 1.588,397 2.761,398 1.859,399 4.066,400 2.381,401 1.404,402 1.797,404 3.261,405 1.366,406 2.553,407 1.58,408 3.712,409 2.237,410 1.247,411 1.501,413 2.996,414 1.233,415 2.5,416 1.518,417 3.614,418 2.195,419 1.184,420 1.5,422 2.318,423 1.187,424 2.431,425 1.298,426 3.475,427 2.03,428 1.021,429 1.301,431 2.136,432 1.023,433 20.105,434 0.468,435 1.099,436 0.026,437 48,438 1.116,439 21.5,440 0.5,441 26.5,442 0.616,443 49.937,444 1.161,445 48.895,446 0.582,447 45.858,448 1.066,449 9.349,450 0.217,451 11.31,452 0.263,453 0.153,455 0.343,458 2,459 0.678,460 1.149,461 0.83,462 1.15,463 0.601,464 1.046,465 0.728,466 1.1,467 0.882,468 1.118,469 0.568,470 1.045,471 1.034,472 1.03,473 1.007,474 1.046,475 0.884,476 1.022,477 1.075,478 0.82,479 0.925,480 0.861,481 1.041,482 0.858,483 1.082,484 1.072,485 1.097,486 1.128,487 1.135,488 1.115,489 0.914,490 0.776,491 1.004,492 0.924,493 1.036,494 0.976,495 0.879,496 1.014,497 0.97,498 1.078,499 0.918,500 1.052,501 0.894,502 0.993,503 0.951,504 1.03,505 0.969,506 1.01,507 10,508 0.454,509 4,510 3.66,511 2.423,512 1.612,513 1.19,514 0.994,515 0.721,516 0.493,517 29861,518 78642,519 2.006,520 48.8,521 9,522 21,525 3,527 6,528 2,529 1.824,530 1.856,531 3.79,532 0.687,535 129.566,536 1.542,537 3.607,538 4.963,539 5.547,540 5.603,541 5.627,542 3.228,543 5.008,544 5.395,545 3.994,546 3606.18,547 9.591,548 66475.1,552 536.955,553 1.483,554 5.343,555 0.217,556 0.007,557 0.063,558 0.056,559 0.036,560 0.023,561 0.017,562 0.014,563 0.01,564 0.007,565 0.451,566 0.17,567 0.75,568 1.242,569 247.412,570 -0.04,571 -0.055,572 0.026,573 -0.001,574 -0.048,575 0.022,576 0.02,577 -0.087,578 0.029,579 -0.063,580 0.047,581 -0.024,582 -0.038,583 -0.052,584 -0.028,585 -0.059,586 -0.027,587 -0.044,588 -0.028,589 0.06,590 0.074,591 0.087,592 0.003,593 0.101,594 -0.055,595 -0.097,596 -0.122,597 -0.125,598 -0.044,599 -0.134,600 0.037,601 0.087,602 -0.025,603 0.036,604 -0.011,605 -0.004,606 0.035,607 -0.067,608 -0.004,609 -0.07,610 0.022,611 -0.05,612 0.109,613 -0.019,614 0.038,615 -0.044,616 0.09,617 -0.024,618 2.435,619 6.612,620 0.535,621 57.171,622 1.004,623 1.135,624 4.105,625 16.853,626 0.642,627 3.85,628 4.159,629 4.382,630 4.635,631 4.796,632 4.86,633 4.949,634 5.069,635 5.165,636 5.242,637 8.733,638 0.61,639 593.78,640 3.85,641 5.389,642 6.221,643 7.091,644 7.94,645 8.814,646 9.671,647 10.548,648 11.408,649 12.287,650 3.6,652 1,657 2,662 11,666 7,667 18,668 1,669 1,674 1,675 2,676 84,677 20,678 3,679 46,680 87,681 34,682 18,683 7,684 11,685 2,686 4,687 4,690 3,694 3,697 8,698 20,699 14,701 2,704 2,708 2,712 2,713 41,714 9,715 3,716 9,719 3,721 1,722 4,724 1,729 1,731 1,732 3,748 1,751 1,753 4,756 3,758 2,759 43,762 1,763 7,764 2,765 1,767 4,768 1,771 2,772 4.8,773 1,775 2,777 1,778 23.167,779 15.436,780 9.639,781 5.423,783 2.175,784 1.271,785 0.932,786 11.694,787 10.187,788 4.06,789 4.58,790 5.045,791 5.529,792 5.97,793 6.031,794 6.201,795 6.35,796 6.532,797 6.756,798 0.9,799 65,800 16.247,801 7.102,802 7.95,803 30.428,804 25.033,805 2.45,806 105.333,809 447.302,810 192.807,811 39.146,813 103.973,814 29.92,816 192.807,817 551.275,818 69.066,819 26.476,820 37.59,821 164.933,822 59.699,823 47.228,824 29.92,825 447.302,827 447.302,828 231.952,829 133.893,831 383.053,832 155.459,833 42.683,835 82.077,836 149.876,839 477.222,840 143.119,841 192.807,844 447.302,845 62.092,846 133.839,847 36.022,848 133.893,849 447.302,850 173.039,851 192.807,852 0.573,853 0.329,854 0.183,855 0.098,856 26,857 14,858 0.149,859 13,861 1,862 5.011,863 431.43,865 23,866 217.329,870 32.599,871 15.425,872 9.09,874 173.039,875 17.532,879 0.952,880 78.705,881 813.148,882 57,885 26.898,889 -0.64,891 84.312,892 95.316,893 0.241,894 0.564,895 0.776,896 0.868,897 0.877,898 0.88,899 5.306,900 1.984,901 6.205,902 6.424,903 4.844,904 5.268,905 2.069,906 6.987,907 4.778,908 6.481,909 1.92,910 7.748,911 5.695,912 4.443,913 5.007,914 0.325,915 7.791,916 4.33,917 7.765,918 1.879,919 9.386,920 5.381,921 6.415,922 7.32,923 2.103,924 10.88,925 6.289,926 9.076,927 1.67,928 11.078,929 4.963,930 6.792,931 7.807,932 0.653,933 12.467,934 6.628,935 10.415,936 1.404,937 12.804,938 4.947,939 8.246,940 9.648,941 2.232,942 15.068,943 8.068,944 11.773,945 1.247,946 14.554,947 3.261,948 8.987,949 10.498,950 1.001,951 17.008,952 8.777,953 13.146,954 1.184,955 16.321,956 2.996,957 10.226,958 12.129,959 2.405,960 19.42,961 10.002,962 3.072,963 1.021,964 18.102,965 2.318,966 11.145,967 13.18,968 1.37,969 21.531,970 10.894,971 3.007,972 9.954,973 19.894,974 2.136,975 12.294,976 14.699,977 2.609,978 23.865,979 12.027,980 2.777,981 9.805,982 21.695,983 3.996,984 13.3,985 15.871,986 1.754,987 26.06,988 13.011,989 2.734,990 8.64,991 23.503,992 3.813,993 14.412,994 17.326,995 2.839,996 28.362,997 14.107,998 2.605,999 8.06,1000 25.318,1001 3.458,1002 15.462,1003 18.572,1004 2.143,1005 30.6,1006 15.137,1007 2.357,1008 7.671,1009 27.139,1010 3.321,1011 16.561,1012 19.99,1013 3.09,1014 32.889,1015 16.22,1016 2.209,1017 6.791,1018 28.964,1019 3.012,1020 17.633,1021 21.282,1022 2.535,1023 35.15,1024 17.275,1025 29058,1026 47451,1027 29.937,1028 53.938,1029 68.141,1030 70.581,1031 70.664,1032 67.873,1033 67.67,1034 82.929,1035 7.622,1036 190.369,1037 65.38,1038 5.357,1039 5.702,1040 6.253,1041 5.136,1042 5.072,1043 6.996,1044 2.293,1045 16.938,1046 5.034,1047 25.789,1048 1.481,1049 1.534,1050 1.536,1051 1.475,1052 1.471,1053 1.803,1054 0.166,1055 4.138,1056 1.421,1057 4.032,1058 4.064,1059 3.975,1060 3.939,1061 8.211,1062 3.943,1063 3.94,1064 3.967,1065 3.891,1066 3.862,1067 8.191,1068 3.863,1069 3.906,1070 3.933,1071 3.842,1072 3.817,1073 7.431,1074 3.817,1075 3.809,1076 3.854,1077 3.718,1078 3.682,1079 7.425,1080 3.684,1081 3.733,1082 3.799,1083 3.614,1084 3.56,1085 6.448,1086 3.56,1087 3.56,1088 3.614,1089 3.458,1090 3.377,1091 4.868,1092 3.388,1093 3.501,1094 3.586,1095 3.279,1096 3.348,1097 4.669,1098 3.32,1099 3.299,1100 3.351,1101 3.203,1102 3.118,1103 4.513,1104 3.122,1105 0.095,1106 0.08,1107 0.14,1108 0.088,1109 0.067,1110 4.378,1111 0.087,1112 3.702,1113 0.026,1114 6.451,1115 0.216,1116 4.056,1117 0.066,1118 3.072,1119 3.996,1120 1.2,1121 9.954,1122 3.034,1123 1.956,1124 1.935,1125 2.055,1126 2.061,1127 1.34,1128 2.058,1129 1.91,1130 1.886,1131 2.018,1132 2.013,1133 1.254,1134 2.015,1135 1.875,1136 1.85,1137 2.001,1138 1.978,1139 1.168,1140 1.985,1141 1.711,1142 1.648,1143 1.957,1144 1.909,1145 1.148,1146 1.925,1147 1.676,1148 1.628,1149 1.861,1150 1.853,1151 1.09,1152 1.853,1153 1.539,1154 1.459,1155 1.848,1156 1.738,1157 1.044,1158 1.785,1159 1.498,1160 1.443,1161 1.73,1162 1.706,1163 0.989,1164 1.72,1165 1.346,1166 1.281,1167 1.584,1168 1.606,1169 0.793,1170 1.598,1171 4.533,1173 5.844,1174 2.398,1175 7.331,1176 4.595,1177 8.902,1178 6.581,1179 10.517,1180 5.834,1182 28.102,1184 11.496,1185 3.806,1186 6.169,1187 6.042,1189 -2.638,1190 1.779,1192 51.226,1193 129.566,1194 302.955,1195 416.862,1196 465.935,1197 470.69,1198 472.69,1199 157.18,1200 8.012,1201 90.9,1202 90.9,1203 23,1204 12.827,1205 4.392,1206 3.585,1207 81.534,1208 214,1209 253,1210 0.172,1211 313.899,1212 565.88,1213 757.674,1214 34517,1215 2.4,1216 30.932,1217 0.719,1218 0.581,1219 29.192,1220 24.985,1221 20.659,1222 0.449,1223 0.325,1224 14.769,1225 19.878,1226 14.396,1227 11.979,1228 19.872,1229 14.963,1230 18.559,1231 0.295,1232 0.178,1233 17.28,1234 11.236,1235 14.674,1236 0.186,1237 0.096,1238 14.122,1239 7.55,1240 12.416,1241 0.122,1242 0.055,1243 11.533,1244 5.621,1245 9.369,1246 0.078,1247 0.03,1248 9.15,1249 3.581,1250 0.271,1251 129.675,1252 0.183,1253 37.965,1254 0.473,1255 218,1256 725.889,1257 242.591,1258 643.51,1259 845.63,1260 598,1261 251,1262 591.773,1263 274.611,1264 585.4,1265 853.83,1266 551,1267 7.62} {0 CHEMBL418948,1 1.602,2 13.755,3 3.376,4 11.4,5 194.843,6 6.796,7 0.118,8 4.729,9 4.862,10 4.274,11 4.186,12 5.682,13 4.129,14 5.344,15 5.541,16 4.572,17 4.597,18 6.39,19 4.497,20 5.694,21 5.943,22 4.658,23 4.806,24 6.614,25 4.656,26 5.782,27 6.034,28 4.695,29 4.812,30 6.788,31 4.678,32 5.791,33 6.038,34 4.786,35 4.811,36 7.009,37 4.71,38 5.81,39 6.044,40 4.821,41 4.908,42 6.846,43 4.799,44 5.948,45 6.189,46 4.909,47 5.002,48 7.012,49 4.895,50 6.005,51 6.243,52 4.942,53 5.068,54 7.139,55 4.949,56 0.161,57 1.532,58 29.852,59 10.056,60 29.626,61 14.334,62 0.808,63 2.411,64 53.189,65 17.105,66 102.816,67 24.742,68 1.044,69 3.003,70 80.439,71 24.395,72 135.07,73 33.946,74 1.256,75 3.099,76 92.064,77 24.249,78 194.103,79 34.656,80 1.998,81 3.084,82 85.484,83 23.093,84 315.769,85 33.917,86 1.159,87 3.349,88 87.307,89 25.366,90 179.764,91 36.155,92 1.507,93 3.69,94 101.591,95 28.097,96 238.82,97 40.577,98 2.057,99 3.9,100 105.088,101 30.691,102 322.495,103 44.116,104 101,105 67,106 0.233,107 0.497,108 0.726,109 0.85,110 0.876,111 0.876,112 3.915,113 1.158,114 -2.37,115 -2.4,116 -2.36,117 31.8,118 1,119 12,120 1,122 1,123 5,125 5,135 5,136 1,145 2,146 1,154 17,156 3,160 5,161 1,162 7,163 18,166 1,167 2,169 2,170 3,171 9,174 12,178 7,182 1,183 11,186 3,189 6,190 9,192 6,193 1,194 15,197 5,201 12,204 1,205 3,206 14,208 9,212 16,215 2,216 1,217 9,220 13,223 4,224 13,226 6,227 2,228 10,231 17,236 9,239 1,240 3,241 11,243 18,246 6814,247 32.576,248 32.576,249 32.576,250 32.576,251 32.576,252 31.094,253 34.434,254 19.843,255 33.194,256 25.06,257 25.06,258 25.06,259 25.06,260 25.06,261 22.583,262 39.404,263 9.368,264 26.034,265 5.139,266 3.324,267 1.752,268 0.9,269 0.724,270 0.724,271 4.592,276 1380,277 6.671,280 664.022,285 1.851,286 83.037,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 108,297 674,298 4.803,299 3.82,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.082,308 3.771,309 6.208,310 3.923,311 2.946,312 3.469,313 1.924,314 9.238,315 2.874,316 3.962,317 3.666,318 6.075,319 3.792,320 2.81,321 3.21,322 1.762,323 8.8,324 2.755,325 3.808,326 3.421,327 5.876,328 3.622,329 2.628,330 2.972,331 0.86,332 8.122,333 2.608,334 3.67,335 2.992,336 5.316,337 3.439,338 2.454,339 2.81,340 0.4,341 6.855,342 2.411,343 3.639,344 2.734,345 5.289,346 3.362,347 2.361,348 2.752,349 0.349,350 6.719,351 2.357,352 3.454,353 2.559,354 4.988,355 3.21,356 2.345,357 2.454,358 0.247,359 5.892,360 2.069,361 3.169,362 2.463,363 4.974,364 3.123,365 2.166,366 2.172,367 0.148,368 5.802,369 2.022,370 3.124,371 2.373,372 4.91,373 2.94,374 2.012,375 2.131,377 5.339,378 1.857,379 2.932,380 2.181,381 4.34,382 2.678,383 1.693,384 2.083,386 4.104,387 1.656,388 2.79,389 1.992,390 4.013,391 2.527,392 1.536,393 1.779,395 3.467,396 1.519,397 2.533,398 1.78,399 3.837,400 2.476,401 1.485,402 1.51,404 3.258,405 1.47,406 2.5,407 1.674,408 3.645,409 2.332,410 1.366,411 1.5,413 3.038,414 1.311,415 2.484,416 1.619,417 3.618,418 2.128,419 1.221,420 1.479,422 2.846,423 1.101,424 2.335,425 1.453,426 3.53,427 2,428 1.047,429 1.277,431 2.615,432 1,433 23.4,434 0.478,435 1.156,436 0.024,437 43.25,438 0.883,439 13,440 0.265,441 30.25,442 0.617,443 72.684,444 1.483,445 60,446 0.561,447 44.197,448 0.902,449 7.559,450 0.154,451 15.958,452 0.326,453 0.164,454 0.036,455 0.231,459 0.778,460 1.572,461 0.884,462 1.318,463 0.718,464 1.183,465 0.734,466 1.274,467 0.921,468 1.14,469 0.585,470 1.179,471 0.942,472 1.057,473 1.046,474 1.063,475 0.913,476 1.041,477 1.233,478 1.102,479 1.147,480 1.105,481 1.372,482 1.008,483 1.096,484 0.92,485 0.852,486 0.81,487 1.255,488 0.87,489 1.244,490 1.072,491 0.995,492 0.988,493 1.315,494 1.005,495 1.319,496 1.01,497 0.989,498 0.951,499 1.452,500 0.961,501 1.128,502 0.975,503 0.938,504 0.925,505 1.273,506 0.994,507 10.5,508 0.562,509 5.111,510 2.938,511 2.791,512 1.729,513 1.389,514 1.274,515 0.778,516 0.629,517 39557,518 101243,519 1.956,520 54.2,521 16,522 23,525 7,527 10,528 2,529 1.859,530 1.82,531 3.679,532 3.572,535 171.439,536 1.602,537 3.417,538 4.989,539 5.842,540 6.017,541 6.017,542 3.022,543 5.135,544 5.585,545 3.946,546 4640.4,547 10.002,548 96323.4,552 721.337,553 1.509,554 5.532,555 0.206,556 0.006,557 0.076,558 0.042,559 0.039,560 0.021,561 0.016,562 0.014,563 0.008,564 0.007,565 0.436,566 0.17,567 0.5,568 1.661,569 291.694,570 -0.01,571 -0.162,572 0.116,573 -0.062,574 -0.09,575 0.009,576 0.162,577 -0.067,578 0.001,579 -0.085,580 0.136,581 -0.108,582 -0.003,583 -0.002,584 -0.02,585 -0.017,586 -0.027,587 -0.023,588 -0.099,589 -0.082,590 -0.056,591 -0.073,592 -0.105,593 -0.025,594 0.176,595 0.063,596 0.076,597 0.081,598 0.171,599 0.074,600 -0.104,601 -0.017,602 -0.031,603 -0.013,604 -0.087,605 -0.013,606 -0.111,607 0.006,608 -0.024,610 -0.089,611 0.013,612 0.053,613 0.027,614 -0.023,615 0.01,616 0.055,617 -0.012,618 4.957,619 7.016,620 0.367,621 66.389,622 1,623 1.141,624 1.14,625 1.301,626 0.62,627 3.951,628 4.22,629 4.382,630 4.533,631 4.718,632 4.682,633 4.804,634 4.898,635 4.942,636 4.963,637 9.138,638 0.572,639 727.12,640 3.951,641 5.468,642 6.271,643 7.114,644 7.939,645 8.789,646 9.625,647 10.48,648 11.324,649 12.182,650 5.6,652 1,653 1,657 4,662 5,666 1,667 6,676 107,677 11,678 1,679 51,680 109,681 34,682 6,683 1,684 5,686 3,687 3,689 1,690 1,694 5,695 1,697 17,698 9,699 25,700 1,701 5,703 1,704 4,705 1,708 3,713 58,714 13,715 7,716 15,717 2,719 6,721 1,722 7,724 2,732 3,740 2,751 2,752 1,753 3,755 2,756 2,759 49,761 1,762 2,763 17,764 5,765 1,767 6,768 1,772 6.5,773 2,775 4,776 1,778 26.917,779 18.183,780 11.208,781 6.894,783 0.727,784 1.096,785 0.89,786 18.94,787 8.323,788 4.094,789 4.494,790 4.716,791 4.967,792 5.305,793 5.181,794 5.377,795 5.592,796 5.728,797 5.79,798 0.889,799 70,800 18.911,801 8.375,802 7.883,803 35.424,804 29.241,805 2.383,806 116.75,809 600.326,810 174.159,811 89.967,813 190.969,815 50.761,816 123.398,817 791.296,818 89.967,819 17.222,820 117.959,821 154.722,822 115.012,823 4.704,824 0.285,825 600.326,826 45.192,827 600.326,828 213.365,829 190.969,830 50.761,831 459.073,832 235.856,833 96.367,835 144.708,836 68.657,837 5.569,838 45.192,839 600.326,840 280.936,841 174.159,843 5.569,844 600.326,845 58.796,846 66.121,847 88.448,848 236.161,849 600.326,850 280.936,851 174.159,852 0.566,853 0.318,854 0.155,855 0.087,856 23,857 13,858 0.183,859 20,861 1,862 5.368,863 496.935,865 18,866 257.121,868 1,869 1,870 41.692,871 22.26,872 15.19,874 280.936,875 9.11,879 0.755,880 173.815,881 1055.42,882 59,884 -4.041,885 54.766,886 5.154,889 -0.568,891 107.028,892 122.091,893 0.238,894 0.507,895 0.74,896 0.867,897 0.893,898 0.893,899 5.34,900 2.166,901 6.248,902 5.892,903 4.905,904 5.182,905 3.064,906 7.011,907 4.84,908 6.477,909 2.012,910 7.787,911 5.802,912 4.511,913 5.103,914 2.444,915 8.038,916 4.431,917 7.762,918 1.693,919 9.44,920 5.339,921 6.485,922 7.176,923 3.998,924 11.057,925 6.374,926 9.084,927 1.536,928 11.168,929 4.104,930 6.929,931 8.007,932 4.029,933 12.988,934 6.814,935 10.452,936 1.485,937 12.947,938 3.467,939 8.385,940 9.65,941 5.137,942 15.61,943 8.245,944 11.852,945 1.366,946 14.765,947 3.258,948 9.218,949 10.873,950 5.455,951 17.902,952 9.075,953 13.279,954 1.221,955 16.613,956 3.038,957 10.484,958 12.408,959 6.358,960 20.43,961 10.32,962 3.397,963 1.047,964 18.485,965 2.846,966 11.505,967 13.796,968 6.827,969 22.864,970 11.334,971 2.946,972 12.526,973 20.377,974 2.615,975 12.707,976 15.309,977 7.623,978 25.378,979 12.518,980 2.81,981 9.238,982 22.285,983 4.56,984 13.819,985 16.767,986 8.176,987 27.866,988 13.62,989 2.628,990 8.8,991 24.207,992 3.469,993 15.006,994 18.278,995 8.913,996 30.383,997 14.791,998 2.454,999 8.122,1000 26.14,1001 3.21,1002 16.164,1003 19.767,1004 9.515,1005 32.893,1006 15.936,1007 2.361,1008 6.855,1009 28.082,1010 2.972,1011 17.353,1012 21.279,1013 10.22,1014 35.414,1015 17.11,1016 2.345,1017 6.719,1018 30.033,1019 2.81,1020 18.535,1021 22.783,1022 10.85,1023 37.933,1024 18.277,1025 39333,1026 63294,1027 32.879,1028 66.307,1029 73.388,1030 76.964,1031 76.286,1032 73.333,1033 73.324,1034 83.283,1035 15.35,1036 199.029,1037 70.733,1038 5.803,1039 5.82,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 29.673,1048 1.439,1049 1.509,1050 1.496,1051 1.438,1052 1.438,1053 1.633,1054 0.301,1055 3.903,1056 1.387,1057 4.054,1058 4.07,1059 4.723,1060 3.953,1061 7.717,1062 3.904,1063 3.935,1064 3.972,1065 3.927,1066 3.835,1067 7.433,1068 3.803,1069 3.893,1070 3.917,1071 3.862,1072 3.814,1073 7.423,1074 3.771,1075 3.807,1076 3.862,1077 3.802,1078 3.662,1079 6.999,1080 3.656,1081 3.741,1082 3.795,1083 3.687,1084 3.595,1085 6.461,1086 3.586,1087 3.667,1088 3.727,1089 3.601,1090 3.491,1091 6.436,1092 3.479,1093 3.598,1094 3.643,1095 3.527,1096 3.409,1097 4.868,1098 3.404,1099 3.521,1100 3.588,1101 3.437,1102 3.364,1103 4.752,1104 3.339,1105 0.094,1106 0.075,1107 0.143,1108 0.086,1109 0.067,1110 4.803,1111 0.089,1112 3.82,1113 0.039,1114 7.311,1115 0.246,1116 4.381,1117 0.066,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.064,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.345,1134 2.065,1135 1.799,1136 1.788,1137 1.996,1138 1.978,1139 1.303,1140 1.994,1141 1.775,1142 1.726,1143 1.966,1144 1.962,1145 1.265,1146 1.976,1147 1.731,1148 1.679,1149 1.901,1150 1.916,1151 1.205,1152 1.934,1153 1.594,1154 1.538,1155 1.811,1156 1.825,1157 1.104,1158 1.824,1159 1.54,1160 1.485,1161 1.749,1162 1.757,1163 0.982,1164 1.767,1165 1.481,1166 1.422,1167 1.693,1168 1.709,1169 0.9,1170 1.73,1171 4.635,1173 5.916,1175 7.376,1177 8.913,1179 10.493,1180 3.566,1184 21.523,1185 9.598,1186 14.427,1187 5.315,1189 -4.116,1190 1.26,1192 61.203,1193 171.439,1194 365.616,1195 533.845,1196 625.072,1197 643.827,1198 643.827,1199 258.102,1200 7.596,1201 181.36,1202 221.83,1203 18,1204 12.737,1205 3.585,1206 3.17,1207 120.183,1208 254,1209 308,1210 0.209,1211 388.167,1212 697.49,1213 938.887,1214 19223,1216 35.65,1217 0.728,1218 0.627,1219 36.4,1220 30.704,1221 23.516,1222 0.461,1223 0.386,1224 17.74,1225 21.556,1226 17.247,1227 14.292,1228 24.626,1229 19.683,1230 20.591,1231 0.307,1232 0.228,1233 22.3,1234 15.27,1235 15.923,1236 0.202,1237 0.143,1238 17.363,1239 11.33,1240 11.755,1241 0.128,1242 0.085,1243 12.913,1244 7.802,1245 9.417,1246 0.085,1247 0.05,1248 10.453,1249 5.565,1250 0.327,1251 159.268,1252 0.174,1253 41.918,1254 0.58,1255 236,1256 696.007,1257 314.643,1258 694.663,1259 898.91,1260 640,1261 264,1262 570.97,1263 345.705,1264 614.676,1265 888.43,1266 577,1267 7.824} {0 CHEMBL501578,1 1.554,2 21.3,3 2.01,4 4.04,5 257.802,6 6.801,7 0.167,8 5.02,9 5.153,10 4.462,11 4.455,12 6.125,13 4.43,14 5.6,15 5.798,16 4.829,17 4.853,18 6.673,19 4.798,20 5.939,21 6.155,22 4.989,23 5.061,24 7.076,25 4.989,26 6.104,27 6.334,28 5.085,29 5.131,30 7.261,31 5.076,32 6.162,33 6.378,34 5.211,35 5.219,36 7.48,37 5.169,38 6.266,39 6.491,40 5.259,41 5.349,42 7.456,43 5.273,44 6.392,45 6.628,46 5.272,47 5.414,48 7.573,49 5.325,50 6.411,51 6.659,52 5.264,53 5.42,54 7.586,55 5.317,56 0.172,57 2.006,58 32.996,59 12.981,60 41.949,61 18.314,62 1,63 3.115,64 62.25,65 20.838,66 133.257,67 31.042,68 1.801,69 3.918,70 90.164,71 27.492,72 257.623,73 40.852,74 2.006,75 4.285,76 108.55,77 29.144,78 360.503,79 44.666,80 3.07,81 4.658,82 115.623,83 30.973,84 530.028,85 47.097,86 2.492,87 5.211,88 126.082,89 37.707,90 400.274,91 56.065,92 2.853,93 5.567,94 144.727,95 41.737,96 543.923,97 62.48,98 3.238,99 5.665,100 147.816,101 42.716,102 570.639,103 64.705,104 493,105 99,106 0.212,107 0.476,108 0.712,109 0.834,110 0.867,111 0.881,112 4.264,113 0.992,114 -0.52,115 -0.65,116 -0.79,117 34.7,118 6,119 8,120 2,122 3,123 1,125 9,135 10,136 2,145 9,148 1,149 1,150 1,154 21,156 4,157 6,159 1,160 5,162 8,163 20,165 1,166 5,167 14,169 7,170 3,171 10,174 11,176 1,178 20,181 1,182 1,183 7,186 4,189 11,190 20,191 1,192 5,193 1,194 12,197 10,200 3,201 23,203 1,204 10,205 2,206 11,207 1,208 16,211 2,212 22,214 1,215 3,216 1,217 10,220 17,223 8,224 24,226 5,227 2,228 16,230 1,231 17,233 2,236 22,239 6,240 3,241 17,242 1,243 18,245 4,246 15366,247 44.854,248 44.854,249 44.854,250 44.854,251 44.854,252 42.153,253 47.534,254 26.318,255 45.427,256 35.254,257 35.254,258 35.254,259 35.254,260 35.254,261 30.754,262 45.189,263 12.314,264 35.945,265 5.616,266 3.677,267 1.952,268 1.054,269 0.811,270 0.714,271 4.932,276 3030,277 8.718,279 284.668,280 667.62,285 3.034,286 141.944,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 156,297 1491,298 4.336,299 4.01,300 6.833,301 4.179,302 3.215,303 3.54,304 2.474,305 11.19,306 3.093,307 4.267,308 3.946,309 6.714,310 4.117,311 3.145,312 3.467,313 2.033,314 10.682,315 3.051,316 4.108,317 3.858,318 6.47,319 3.94,320 2.969,321 3.418,322 2.028,323 9.85,324 2.879,325 4.031,326 3.755,327 6.244,328 3.879,329 2.904,330 3.39,331 1.99,332 9.211,333 2.826,334 3.981,335 3.74,336 6.112,337 3.806,338 2.824,339 3.266,340 1.976,341 8.898,342 2.764,343 3.915,344 3.642,345 6.051,346 3.715,347 2.736,348 3.133,349 1.938,350 8.658,351 2.675,352 3.882,353 3.625,354 5.894,355 3.574,356 2.576,357 3.108,358 1.926,359 7.947,360 2.565,361 3.77,362 3.54,363 5.706,364 3.522,365 2.525,366 2.94,367 1.889,368 7.29,369 2.504,370 3.711,371 3.511,372 5.379,373 3.431,374 2.434,375 2.882,376 1.886,377 6.879,378 2.421,379 3.665,380 2.976,381 5.316,382 3.374,383 2.377,384 2.81,385 0.713,386 6.85,387 2.362,388 3.533,389 2.802,390 5.217,391 3.221,392 2.194,393 2.695,394 0.635,395 6.073,396 2.237,397 3.411,398 2.586,399 5.191,400 3.155,401 2.156,402 2.497,403 0.553,404 5.838,405 2.139,406 3.196,407 2.559,408 4.97,409 3.093,410 2.103,411 2.225,412 0.359,413 5.527,414 2.081,415 3.169,416 2.547,417 4.702,418 2.971,419 1.982,420 2.195,421 0.315,422 5.145,423 1.952,424 3.111,425 2.361,426 4.658,427 2.913,428 1.928,429 2.148,430 0.263,431 5.054,432 1.868,433 32.2,434 0.46,435 2.212,436 0.032,437 69.25,438 0.989,439 25.5,440 0.364,441 43.75,442 0.625,443 110.74,444 1.582,445 83.6,446 0.581,447 91.84,448 1.312,449 13.575,450 0.194,451 19.385,452 0.277,453 0.266,455 0.379,459 0.751,460 1.565,461 0.904,462 1.333,463 0.641,464 1.167,465 0.645,466 1.281,467 0.877,468 1.149,469 0.559,470 1.067,471 0.946,472 1.105,473 1.04,474 1.11,475 0.988,476 1.093,477 1.316,478 1.095,479 1.037,480 0.974,481 1.329,482 0.944,483 1.19,484 1.018,485 1.067,486 0.942,487 1.175,488 0.964,489 1.029,490 1.06,491 1.037,492 1.075,493 1.051,494 1.056,495 1.191,496 1.045,497 1.06,498 1.021,499 1.221,500 1.016,501 0.999,502 1.005,503 1.011,504 1.003,505 1.015,506 1.01,507 16.5,508 1.004,509 9.111,510 5.556,511 5.032,512 3.483,513 2.62,514 1.969,515 1.549,516 1.159,517 108125,518 305392,519 1.878,520 51.4,521 13,522 30,525 8,526 4,527 19,529 1.93,530 1.694,531 4.312,532 3.934,535 223.757,536 1.554,537 3.493,538 5.218,539 6.116,540 6.359,541 6.456,542 3.713,543 5.64,544 6.105,545 4.558,546 11007.8,547 10.992,548 294128,552 1032.47,553 1.581,554 6.011,555 0.229,556 0.008,557 0.092,558 0.051,559 0.042,560 0.026,561 0.018,562 0.014,563 0.011,564 0.008,565 0.498,566 0.17,567 0.5,568 1.788,569 463.572,570 -0.066,571 -0.16,572 0.012,573 -0.048,574 -0.059,575 -0.008,576 0.124,577 -0.059,578 0.07,579 -0.023,580 0.063,581 0.004,582 0.034,583 0.016,584 -0.05,585 -0.068,586 -0.043,587 -0.079,588 -0.151,589 -0.062,590 -0.011,591 0.003,592 -0.125,593 0.025,594 0.032,595 0.056,596 -0.029,597 0.038,598 0.067,600 -0.003,601 0.013,602 -0.039,603 -0.05,604 -0.007,605 -0.052,606 -0.089,607 -0.047,608 -0.051,609 -0.022,610 -0.059,611 -0.027,612 0.027,613 -0.013,614 -0.012,615 -0.016,616 0.017,617 -0.022,618 2.902,619 7.181,620 0.243,621 119.087,622 1.006,623 1.14,624 -0.705,625 0.498,626 0.615,627 4.29,628 4.605,629 4.804,630 4.977,631 5.118,632 5.142,633 5.187,634 5.252,635 5.298,636 5.273,637 12.733,638 0.584,639 979.32,640 4.29,641 5.838,642 6.663,643 7.528,644 8.376,645 9.244,646 10.103,647 10.974,648 11.838,649 12.711,650 5.6,657 8,662 10,666 2,667 12,676 144,677 21,678 2,679 72,680 146,681 50,682 12,683 2,684 10,686 3,687 3,690 6,694 3,697 17,698 21,699 29,700 2,701 9,704 9,708 9,713 74,714 20,715 8,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 2,739 1,740 4,741 3,743 1,751 2,753 3,756 9,759 70,760 1,762 2,763 9,764 4,765 1,767 11,768 3,772 8.3,773 2,775 9,777 1,778 41.333,779 27.25,780 15.75,781 8.678,783 1.057,784 1.128,785 0.873,786 24.452,787 9.293,788 4.477,789 4.905,790 5.218,791 5.502,792 5.832,793 5.719,794 5.862,795 6.086,796 6.235,797 6.281,798 0.929,799 110,800 26.792,801 11.827,802 8.114,803 48.734,804 39.27,805 2.614,806 183,809 776.893,810 248.971,811 114.313,813 322.671,816 248.971,817 1099.56,818 114.313,819 80.627,820 136.695,821 180.129,822 271.133,823 17.371,825 776.893,827 776.893,828 363.284,829 322.671,831 553.242,832 460.955,833 85.367,835 189.646,836 173.638,839 776.893,840 436.984,841 248.971,844 776.893,845 73.582,846 184.762,847 72.043,848 355.568,849 776.893,850 436.984,851 248.971,852 0.583,853 0.333,854 0.166,855 0.091,856 34,857 25,858 0.185,859 27,861 1,862 6.449,863 819.578,865 17,866 417.05,870 59.4,871 28.816,872 18.339,874 436.984,875 17.829,879 1.433,880 190.307,881 1462.85,882 87,885 120.945,889 -6.114,891 144.901,892 164.201,893 0.217,894 0.487,895 0.728,896 0.853,897 0.887,898 0.9,899 5.746,900 2.525,901 6.671,902 7.947,903 5.293,904 5.595,905 4.181,906 7.474,907 5.255,908 6.912,909 2.434,910 8.244,911 7.29,912 5.017,913 5.394,914 3.735,915 8.404,916 4.964,917 8.192,918 2.377,919 9.917,920 6.879,921 6.891,922 7.482,923 5.336,924 11.487,925 6.804,926 9.495,927 2.194,928 11.647,929 6.85,930 7.385,931 7.998,932 5.529,933 13.211,934 7.274,935 10.827,936 2.156,937 13.413,938 6.073,939 8.774,940 9.637,941 6.683,942 15.843,943 8.631,944 12.176,945 2.103,946 15.204,947 5.838,948 9.601,949 10.448,950 7.167,951 17.906,952 9.426,953 13.54,954 1.982,955 17.013,956 5.527,957 10.815,958 11.923,959 8.141,960 20.377,961 10.606,962 3.215,963 1.928,964 18.837,965 5.145,966 11.797,967 12.875,968 8.786,969 22.599,970 11.552,971 3.145,972 11.19,973 20.672,974 5.054,975 12.945,976 14.276,977 9.686,978 25.009,979 12.666,980 2.969,981 10.682,982 22.515,983 3.54,984 14.001,985 15.306,986 10.427,987 27.31,988 13.683,989 2.904,990 9.85,991 24.367,992 3.467,993 15.129,994 16.665,995 11.301,996 29.699,997 14.776,998 2.824,999 9.211,1000 26.225,1001 3.418,1002 16.221,1003 17.747,1004 12.102,1005 32.04,1006 15.829,1007 2.736,1008 8.898,1009 28.088,1010 3.39,1011 17.346,1012 19.078,1013 12.972,1014 34.424,1015 16.917,1016 2.576,1017 8.658,1018 29.957,1019 3.266,1020 18.458,1021 20.197,1022 13.81,1023 36.787,1024 17.99,1025 108039,1026 181759,1027 44.101,1028 88.626,1029 108.713,1030 114.769,1031 113.677,1032 106.494,1033 106.42,1034 124.073,1035 42.564,1036 301.899,1037 104.566,1038 5.334,1039 6.01,1040 6.635,1041 5.239,1042 5.215,1043 6.54,1044 4.216,1045 18.868,1046 5.093,1047 57.509,1048 1.51,1049 1.594,1050 1.579,1051 1.479,1052 1.478,1053 1.723,1054 0.591,1055 4.193,1056 1.452,1057 4.033,1058 4.076,1059 3.952,1060 3.916,1061 7.45,1062 3.915,1063 3.937,1064 3.974,1065 3.863,1066 3.859,1067 7.434,1068 3.852,1069 3.872,1070 3.913,1071 3.796,1072 3.742,1073 7.431,1074 3.75,1075 3.864,1076 3.906,1077 3.783,1078 3.704,1079 7.43,1080 3.717,1081 3.84,1082 3.888,1083 3.756,1084 3.673,1085 7.427,1086 3.681,1087 3.755,1088 3.801,1089 3.666,1090 3.588,1091 7.426,1092 3.595,1093 3.721,1094 3.772,1095 3.631,1096 3.537,1097 7.424,1098 3.551,1099 3.672,1100 3.721,1101 3.555,1102 3.516,1103 7.422,1104 3.516,1105 0.06,1106 0.056,1107 0.095,1108 0.058,1109 0.045,1110 4.336,1111 0.049,1112 4.01,1113 0.034,1114 6.833,1115 0.155,1116 4.179,1117 0.043,1118 3.215,1119 3.54,1120 2.474,1121 11.19,1122 3.093,1123 1.931,1124 1.9,1125 2.065,1126 2.047,1127 1.326,1128 2.049,1129 1.929,1130 1.899,1131 2.058,1132 2.037,1133 1.306,1134 2.041,1135 1.809,1136 1.763,1137 2.014,1138 1.999,1139 1.269,1140 1.996,1141 1.8,1142 1.749,1143 1.993,1144 1.982,1145 1.262,1146 1.989,1147 1.716,1148 1.668,1149 1.921,1150 1.909,1151 1.215,1152 1.912,1153 1.699,1154 1.652,1155 1.877,1156 1.899,1157 1.211,1158 1.896,1159 1.646,1160 1.599,1161 1.858,1162 1.838,1163 1.051,1164 1.844,1165 1.618,1166 1.574,1167 1.846,1168 1.832,1169 1.037,1170 1.822,1171 4.977,1173 6.293,1174 2.398,1175 7.776,1176 4.595,1177 9.335,1178 6.605,1179 10.937,1180 13.7,1183 5.445,1184 21.495,1185 0.407,1186 10.626,1187 4.955,1189 -11.474,1190 3.752,1192 84.133,1193 223.757,1194 503.005,1195 751.397,1196 880.656,1197 915.675,1198 929.675,1199 589.256,1200 8.236,1201 287.18,1202 287.18,1203 17,1204 13.254,1205 4.459,1206 4,1207 220.448,1208 545,1209 495,1210 0.189,1211 526.606,1212 968.56,1213 1276.68,1214 47506,1216 52.404,1217 0.749,1218 0.598,1219 52.404,1220 41.884,1221 32.96,1222 0.458,1223 0.331,1224 23.438,1225 31.482,1226 22.633,1227 18.922,1228 32.96,1229 23.81,1230 30.19,1231 0.305,1232 0.19,1233 30.19,1234 18.8,1235 23.351,1236 0.193,1237 0.102,1238 23.351,1239 12.346,1240 17.452,1241 0.121,1242 0.058,1243 17.452,1244 8.324,1245 13.094,1246 0.079,1247 0.032,1248 13.094,1249 5.31,1250 0.305,1251 208.931,1252 0.151,1253 55.631,1254 0.501,1255 342,1256 1123.23,1257 385.944,1258 1051.45,1259 1350.34,1260 968,1261 391,1262 910.353,1263 434.484,1264 911.445,1265 1316.61,1266 851,1267 7.426} {0 CHEMBL507651,1 1.585,2 14.523,3 5.012,4 25.12,5 164.626,6 7.224,7 0.383,8 4.501,9 4.626,10 4.018,11 4.015,12 5.616,13 3.99,14 5.063,15 5.249,16 4.384,17 4.409,18 6.162,19 4.362,20 5.37,21 5.583,22 4.499,23 4.568,24 6.494,25 4.501,26 5.497,27 5.73,28 4.546,29 4.583,30 6.706,31 4.524,32 5.473,33 5.677,34 4.588,35 4.643,36 6.692,37 4.585,38 5.601,39 5.824,40 4.615,41 4.715,42 6.817,43 4.64,44 5.582,45 5.806,46 4.641,47 4.734,48 6.811,49 4.652,50 5.608,51 5.846,52 4.628,53 4.706,54 6.841,55 4.627,56 0.08,57 1.322,58 17.714,59 8.012,60 20.697,61 10.445,62 0.435,63 2.123,64 34.04,65 13.039,66 50.674,67 17.795,68 0.669,69 2.632,70 48.955,71 17.392,72 109.696,73 23.687,74 1.268,75 2.815,76 58.619,77 18.02,78 216.611,79 25.046,80 0.905,81 2.787,82 54.897,83 18.686,84 168.211,85 25.067,86 1.433,87 2.995,88 64.511,89 20.701,90 228.346,91 28.341,92 1.121,93 3.092,94 62.103,95 21.962,96 215.556,97 29.85,98 1.269,99 3.182,100 65.308,101 21.681,102 230.54,103 29.745,104 92,105 65,106 0.239,107 0.559,108 0.776,109 0.837,110 0.845,111 0.849,112 3.81,113 0.958,114 -5.33,115 -5.21,116 -4.87,117 40.5,118 3,119 3,123 3,124 1,125 3,135 11,136 5,137 2,145 3,154 18,156 2,157 6,160 2,162 2,163 19,167 10,169 1,170 2,171 4,174 9,178 12,181 2,182 1,183 7,186 6,190 14,192 3,194 8,197 11,200 2,201 6,204 3,206 9,208 15,211 2,212 7,217 9,220 17,224 9,228 11,231 14,236 11,239 2,241 7,243 13,246 4900,247 29.256,248 29.256,249 29.256,250 29.256,251 29.256,252 26.691,253 33.021,254 17.416,255 29.661,256 23.116,257 23.116,258 23.116,259 23.116,260 23.116,261 19.093,262 35.992,263 8.148,264 23.788,265 4.808,266 2.688,267 1.251,268 0.845,269 0.789,270 0.765,271 4.496,275 1,276 1339,277 5.196,279 146.251,280 529.753,285 2.046,286 75.345,288 0.75,289 0.67,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.74,296 97,297 639,298 4.379,299 3.9,300 6.71,301 4.135,302 3.168,303 3.996,304 1.993,305 10.745,306 3.063,307 4.265,308 3.702,309 6.431,310 4.033,311 3.04,312 3.814,313 1.2,314 9.875,315 3.011,316 4.163,317 3.571,318 6.122,319 3.808,320 2.836,321 3.495,322 1.058,323 8.923,324 2.754,325 4.019,326 3.165,327 5.961,328 3.715,329 2.737,330 3.342,331 0.787,332 8.41,333 2.674,334 3.894,335 2.969,336 5.659,337 3.583,338 2.615,339 3.296,340 0.501,341 7.835,342 2.536,343 3.685,344 2.766,345 5.398,346 3.406,347 2.423,348 2.901,349 0.293,350 7.017,351 2.366,352 3.521,353 2.646,354 5.287,355 3.217,356 2.227,357 2.713,358 0.157,359 6.515,360 2.196,361 3.258,362 2.592,363 5.048,364 2.947,365 1.99,366 2.481,368 5.832,369 1.889,370 3.232,371 2.415,372 4.844,373 2.904,374 1.92,375 2.438,377 5.382,378 1.881,379 3.154,380 2.327,381 4.761,382 2.787,383 1.879,384 2.278,386 5.045,387 1.678,388 2.95,389 2.167,390 4.618,391 2.642,392 1.678,393 2.098,395 4.963,396 1.612,397 2.772,398 1.926,399 4.15,400 2.408,401 1.418,402 1.806,404 3.369,405 1.399,406 2.564,407 1.859,408 3.917,409 2.237,410 1.247,411 1.517,413 3.017,414 1.233,415 2.5,416 1.58,417 3.708,418 2.206,419 1.198,420 1.5,422 2.81,423 1.197,424 2.459,425 1.518,426 3.594,427 2.134,428 1.15,429 1.347,431 2.318,432 1.116,433 20.505,434 0.466,435 1.171,436 0.027,437 50,438 1.136,439 22.5,440 0.511,441 27.5,442 0.625,443 50.077,444 1.138,445 49.695,446 0.592,447 50.453,448 1.147,449 10,450 0.227,451 11.087,452 0.252,453 0.166,455 0.356,458 2,459 0.65,460 1.194,461 0.808,462 1.144,463 0.581,464 1.035,465 0.657,466 1.035,467 0.857,468 1.035,469 0.561,470 0.992,471 0.91,472 1.111,473 0.973,474 1.129,475 0.895,476 1.074,477 1.066,478 0.821,479 0.946,480 0.858,481 1.068,482 0.867,483 1.117,484 1.052,485 1.059,486 1.107,487 1.13,488 1.074,489 1.105,490 0.785,491 1.055,492 0.911,493 1.187,494 0.964,495 0.856,496 1.031,497 0.939,498 1.086,499 0.88,500 1.043,501 0.978,502 0.988,503 0.939,504 0.999,505 0.997,506 0.969,507 10,508 0.483,509 4.667,510 4.007,511 2.743,512 1.723,513 1.335,514 1.084,515 0.791,516 0.548,517 31052,518 84326,519 1.993,520 47.6,521 9,522 20,523 2,525 3,527 6,529 1.83,530 1.833,531 3.78,532 0.696,535 133.104,536 1.585,537 3.704,538 5.141,539 5.547,540 5.603,541 5.627,542 3.217,543 4.806,544 5.428,545 3.986,546 3770.85,547 9.661,548 70001.8,552 536.955,553 1.515,554 5.37,555 0.213,556 0.008,557 0.072,558 0.058,559 0.039,560 0.023,561 0.018,562 0.014,563 0.01,564 0.008,565 0.461,566 0.17,567 0.75,568 1.246,569 254.123,570 -0.043,571 -0.093,572 0.024,573 -0.01,574 -0.045,575 0.015,576 0.047,577 -0.007,578 0.039,579 0.002,580 0.037,581 0.015,582 -0.008,583 -0.111,584 -0.02,585 -0.12,586 -0.029,587 -0.081,588 0.002,589 0.055,590 0.057,591 0.079,592 0.012,593 0.082,594 -0.07,595 -0.079,596 -0.084,597 -0.113,598 -0.052,599 -0.102,600 -0.034,601 0.084,602 -0.062,603 0.045,604 -0.059,605 -0.007,606 0.088,607 -0.076,608 0.029,609 -0.078,610 0.077,611 -0.044,612 0.056,613 -0.02,614 0.058,615 -0.018,616 0.054,617 0.012,618 2.769,619 6.623,620 0.523,621 57.851,622 1.006,623 1.136,624 4.098,625 16.791,626 0.645,627 3.871,628 4.19,629 4.431,630 4.682,631 4.844,632 4.905,633 5.011,634 5.13,635 5.231,636 5.303,637 8.704,638 0.616,639 606.78,640 3.871,641 5.416,642 6.256,643 7.132,644 7.989,645 8.87,646 9.735,647 10.619,648 11.489,649 12.374,650 4.8,652 1,657 3,662 11,666 7,667 18,668 1,669 1,675 2,676 84,677 21,678 3,679 47,680 87,681 34,682 18,683 7,684 11,685 2,686 4,687 4,690 3,694 1,697 6,698 21,699 13,701 3,704 3,708 3,712 2,713 40,714 10,715 3,716 10,719 4,721 1,722 4,724 1,731 1,732 3,741 1,748 1,751 1,753 4,756 3,758 2,759 44,762 1,763 7,764 2,767 3,768 2,771 2,772 4.8,773 1,775 3,778 24,779 15.552,780 9.861,781 5.326,783 2.164,784 1.269,785 0.935,786 11.63,787 10.222,788 4.094,789 4.62,790 5.095,791 5.568,792 6.005,793 6.071,794 6.263,795 6.426,796 6.636,797 6.832,798 0.9,799 69,800 16.683,801 7.378,802 8.027,803 30.887,804 25.333,805 2.527,806 111.167,809 435.531,810 194.596,811 42.27,813 118.118,814 29.92,816 194.596,817 553.649,818 72.19,819 26.476,820 39.857,821 164.933,822 89.549,823 34.17,824 53.462,825 411.989,827 435.531,828 236.866,829 148.038,831 394.824,832 146.061,833 42.683,835 84.343,836 152.523,839 465.451,840 160.388,841 194.596,844 435.531,845 63.881,846 136.963,847 36.022,848 148.038,849 435.531,850 190.308,851 194.596,852 0.576,853 0.335,854 0.186,855 0.099,856 27,857 15,858 0.149,859 13,861 1,862 5.016,863 450.171,865 23,866 224.215,870 33.261,871 15.386,872 8.731,874 190.308,875 17.249,879 0.782,880 78.705,881 820.435,882 59,885 40.25,889 -1.133,891 84.53,892 95.399,893 0.248,894 0.579,895 0.804,896 0.868,897 0.877,898 0.88,899 5.345,900 1.99,901 6.248,902 6.515,903 4.875,904 5.308,905 2.677,906 7.052,907 4.821,908 6.529,909 1.92,910 7.808,911 5.832,912 4.511,913 5.085,914 1.738,915 7.915,916 4.421,917 7.821,918 1.879,919 9.464,920 5.382,921 6.466,922 7.371,923 3.36,924 11.018,925 6.362,926 9.141,927 1.678,928 11.176,929 5.045,930 6.889,931 7.892,932 3.259,933 12.677,934 6.753,935 10.49,936 1.418,937 12.924,938 4.963,939 8.333,940 9.708,941 4.41,942 15.303,943 8.182,944 11.859,945 1.247,946 14.696,947 3.369,948 9.118,949 10.581,950 4.717,951 17.316,952 8.938,953 13.242,954 1.198,955 16.487,956 3.017,957 10.358,958 12.191,959 5.643,960 19.766,961 10.16,962 3.168,963 1.15,964 18.292,965 2.81,966 11.316,967 13.254,968 6.143,969 21.946,970 11.09,971 3.04,972 10.745,973 20.108,974 2.318,975 12.475,976 14.758,977 6.957,978 24.328,979 12.228,980 2.836,981 9.875,982 21.934,983 3.996,984 13.515,985 15.934,986 7.549,987 26.591,988 13.241,989 2.737,990 8.923,991 23.769,992 3.814,993 14.644,994 17.378,995 8.305,996 28.949,997 14.348,998 2.615,999 8.41,1000 25.61,1001 3.495,1002 15.725,1003 18.624,1004 8.943,1005 31.254,1006 15.401,1007 2.423,1008 7.835,1009 27.457,1010 3.342,1011 16.845,1012 20.034,1013 9.669,1014 33.605,1015 16.498,1016 2.227,1017 7.017,1018 29.309,1019 3.296,1020 17.947,1021 21.324,1022 10.331,1023 35.934,1024 17.572,1025 30296,1026 50245,1027 30.342,1028 54.182,1029 70.185,1030 73.357,1031 73.236,1032 69.566,1033 69.391,1034 85.678,1035 11.978,1036 197.716,1037 67.459,1038 5.358,1039 5.9,1040 6.512,1041 5.179,1042 5.168,1043 6.996,1044 3.471,1045 18.171,1046 5.063,1047 27.612,1048 1.493,1049 1.561,1050 1.558,1051 1.48,1052 1.476,1053 1.823,1054 0.255,1055 4.207,1056 1.435,1057 4.035,1058 4.069,1059 3.979,1060 3.94,1061 8.211,1062 3.944,1063 3.945,1064 3.975,1065 3.894,1066 3.866,1067 8.191,1068 3.867,1069 3.917,1070 3.947,1071 3.861,1072 3.844,1073 7.433,1074 3.841,1075 3.805,1076 3.846,1077 3.735,1078 3.634,1079 7.426,1080 3.656,1081 3.732,1082 3.798,1083 3.615,1084 3.56,1085 7.425,1086 3.559,1087 3.556,1088 3.613,1089 3.465,1090 3.349,1091 6.448,1092 3.37,1093 3.501,1094 3.586,1095 3.279,1096 3.348,1097 4.757,1098 3.32,1099 3.299,1100 3.351,1101 3.205,1102 3.118,1103 4.667,1104 3.123,1105 0.093,1106 0.083,1107 0.143,1108 0.088,1109 0.067,1110 4.379,1111 0.085,1112 3.9,1113 0.042,1114 6.71,1115 0.229,1116 4.135,1117 0.065,1118 3.168,1119 3.996,1120 1.993,1121 10.745,1122 3.063,1123 1.955,1124 1.935,1125 2.055,1126 2.06,1127 1.307,1128 2.058,1129 1.913,1130 1.886,1131 2.04,1132 2.014,1133 1.254,1134 2.018,1135 1.908,1136 1.88,1137 2.015,1138 2.002,1139 1.17,1140 2.012,1141 1.711,1142 1.645,1143 1.957,1144 1.909,1145 1.15,1146 1.925,1147 1.658,1148 1.618,1149 1.861,1150 1.848,1151 1.09,1152 1.837,1153 1.539,1154 1.459,1155 1.804,1156 1.738,1157 1.024,1158 1.785,1159 1.428,1160 1.363,1161 1.644,1162 1.694,1163 0.839,1164 1.683,1165 1.337,1166 1.278,1167 1.568,1168 1.599,1169 0.725,1170 1.577,1171 4.554,1173 5.872,1174 2.398,1175 7.371,1176 4.727,1177 8.954,1178 6.804,1179 10.582,1180 5.763,1182 28.138,1184 11.474,1185 3.123,1186 5.811,1189 -3.596,1190 3.306,1192 51.721,1193 133.104,1194 311.126,1195 431.881,1196 465.935,1197 470.69,1198 472.69,1199 171.681,1200 8.058,1201 101.98,1202 101.98,1203 23,1204 12.91,1205 4.459,1206 3.7,1207 84.539,1208 218,1209 256,1210 0.176,1211 317.766,1212 574.24,1213 767.11,1214 35969,1215 2.4,1216 31.802,1217 0.723,1218 0.576,1219 30.062,1220 25.355,1221 21.087,1222 0.449,1223 0.319,1224 14.795,1225 20.277,1226 14.404,1227 12.002,1228 20.299,1229 15.001,1230 18.98,1231 0.292,1232 0.174,1233 17.701,1234 11.294,1235 15.283,1236 0.184,1237 0.092,1238 14.731,1239 7.605,1240 12.888,1241 0.12,1242 0.052,1243 12.005,1244 5.574,1245 9.68,1246 0.077,1247 0.029,1248 9.461,1249 3.619,1250 0.276,1251 132.575,1252 0.182,1253 38.535,1254 0.484,1255 224,1256 761.534,1257 249.068,1258 680.432,1259 888.87,1260 630,1261 260,1262 615.863,1263 285.142,1264 613.37,1265 896.09,1266 575,1267 8.699} {0 CHEMBL509210,1 1.569,2 14.533,3 5.03,4 25.298,5 169.816,6 7.136,7 0.375,8 4.532,9 4.659,10 4.039,11 4.047,12 5.635,13 4.018,14 5.098,15 5.286,16 4.4,17 4.44,18 6.18,19 4.388,20 5.42,21 5.638,22 4.538,23 4.613,24 6.524,25 4.544,26 5.543,27 5.775,28 4.587,29 4.639,30 6.737,31 4.574,32 5.539,33 5.746,34 4.628,35 4.7,36 6.742,37 4.638,38 5.66,39 5.884,40 4.663,41 4.78,42 6.858,43 4.7,44 5.662,45 5.891,46 4.692,47 4.811,48 6.857,49 4.721,50 5.689,51 5.932,52 4.688,53 4.783,54 6.894,55 4.697,56 0.07,57 1.36,58 18.627,59 8.354,60 20.154,61 10.982,62 0.4,63 2.185,64 35.624,65 13.509,66 51.142,67 18.669,68 0.706,69 2.754,70 51.948,71 18.124,72 110.644,73 24.958,74 1.232,75 2.938,76 61.24,77 19.164,78 214.808,79 26.706,80 0.945,81 2.933,82 59.186,83 19.944,84 178.87,85 26.941,86 1.435,87 3.167,88 68.482,89 22.245,90 234.222,91 30.598,92 1.13,93 3.328,94 67.461,95 23.755,96 218.999,97 32.726,98 1.281,99 3.407,100 70.995,101 23.511,102 235.461,103 32.664,104 92,105 66,106 0.235,107 0.545,108 0.76,109 0.84,110 0.848,111 0.851,112 3.832,113 0.969,114 -5.1,115 -5,116 -4.68,117 40.2,118 3,119 3,123 5,125 3,135 11,136 5,137 2,145 3,154 18,156 2,157 6,160 1,162 2,163 19,167 10,169 2,170 2,171 4,174 9,178 12,181 2,182 1,183 6,186 6,190 14,192 3,194 7,197 11,200 2,201 6,204 3,206 9,208 15,211 2,212 7,217 10,220 17,224 9,228 12,231 14,236 11,239 2,241 7,243 13,246 5173,247 29.963,248 29.963,249 29.963,250 29.963,251 29.963,252 27.398,253 34.807,254 17.902,255 30.375,256 23.616,257 23.616,258 23.616,259 23.616,260 23.616,261 19.593,262 38.707,263 8.373,264 24.297,265 4.874,266 2.807,267 1.369,268 0.839,269 0.785,270 0.762,271 4.519,275 1,276 1369,277 5.196,280 703.051,285 2.012,286 76.572,288 0.75,289 0.67,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.74,296 99,297 654,298 4.379,299 3.881,300 6.696,301 4.117,302 3.148,303 3.996,304 1.988,305 10.696,306 3.054,307 4.247,308 3.702,309 6.431,310 4.031,311 3.038,312 3.814,313 1.2,314 9.874,315 3.005,316 4.158,317 3.571,318 6.12,319 3.805,320 2.833,321 3.489,322 1.058,323 8.913,324 2.752,325 4.018,326 3.166,327 5.963,328 3.715,329 2.737,330 3.336,331 0.767,332 8.416,333 2.674,334 3.897,335 2.983,336 5.663,337 3.593,338 2.625,339 3.287,340 0.422,341 7.852,342 2.543,343 3.685,344 2.767,345 5.406,346 3.404,347 2.42,348 2.901,349 0.293,350 7.024,351 2.365,352 3.524,353 2.646,354 5.287,355 3.221,356 2.231,357 2.716,358 0.074,359 6.518,360 2.199,361 3.271,362 2.592,363 5.077,364 2.972,365 2.017,366 2.481,368 5.917,369 1.912,370 3.232,371 2.426,372 4.844,373 2.904,374 1.92,375 2.451,377 5.385,378 1.881,379 3.154,380 2.327,381 4.774,382 2.787,383 1.879,384 2.278,386 5.137,387 1.678,388 2.965,389 2.158,390 4.618,391 2.688,392 1.727,393 2.104,395 4.963,396 1.653,397 2.797,398 1.999,399 4.161,400 2.421,401 1.428,402 1.846,404 3.402,405 1.415,406 2.622,407 1.863,408 3.926,409 2.39,410 1.414,411 1.58,413 3.165,414 1.369,415 2.566,416 1.58,417 3.715,418 2.237,419 1.247,420 1.518,422 3.031,423 1.233,424 2.5,425 1.541,426 3.634,427 2.221,428 1.217,429 1.5,431 2.334,432 1.212,433 21.005,434 0.467,435 1.171,436 0.026,437 50.5,438 1.122,439 22.5,440 0.5,441 28,442 0.622,443 52.769,444 1.173,445 50.995,446 0.586,447 51.505,448 1.145,449 10.048,450 0.223,451 11.539,452 0.256,453 0.162,455 0.348,458 2,459 0.649,460 1.201,461 0.821,462 1.154,463 0.579,464 1.047,465 0.667,466 1.079,467 0.87,468 1.06,469 0.558,470 1.01,471 0.911,472 1.067,473 0.966,474 1.084,475 0.881,476 1.04,477 1.057,478 0.842,479 0.948,480 0.891,481 1.071,482 0.892,483 1.153,484 1.022,485 1.071,486 1.085,487 1.172,488 1.062,489 1.103,490 0.8,491 1.053,492 0.926,493 1.186,494 0.974,495 0.831,496 1.026,497 0.945,498 1.086,499 0.841,500 1.05,501 0.951,502 0.973,503 0.918,504 0.985,505 0.969,506 0.953,507 10,508 0.512,509 4.667,510 4,511 2.911,512 1.701,513 1.384,514 1.087,515 0.819,516 0.558,517 32516,518 86790,519 1.993,520 48.3,521 9,522 24,525 3,527 6,529 1.835,530 1.837,531 3.778,532 0.682,535 136.534,536 1.569,537 3.636,538 5.074,539 5.604,540 5.658,541 5.681,542 3.202,543 4.942,544 5.462,545 3.983,546 3942.78,547 9.73,548 73985.2,552 560.536,553 1.506,554 5.405,555 0.208,556 0.007,557 0.071,558 0.056,559 0.039,560 0.022,561 0.017,562 0.013,563 0.01,564 0.007,565 0.451,566 0.17,567 0.75,568 1.23,569 261.078,570 -0.04,571 -0.091,572 0.024,573 -0.01,574 -0.042,575 0.014,576 0.038,577 -0.047,578 0.034,579 -0.016,580 0.039,581 0.003,582 -0.003,583 -0.064,584 -0.006,585 -0.083,586 -0.025,587 -0.051,588 0.01,589 0.039,590 0.052,591 0.055,592 0.017,593 0.062,594 -0.079,595 -0.056,596 -0.087,597 -0.094,598 -0.06,599 -0.09,600 -0.031,601 0.07,602 -0.06,603 0.038,604 -0.058,605 -0.012,606 0.085,607 -0.076,608 0.02,609 -0.08,610 0.079,611 -0.049,612 0.062,613 -0.017,614 0.076,615 -0.006,616 0.057,617 0.029,618 2.776,619 6.691,620 0.533,621 58.175,622 1.005,623 1.136,624 3.871,625 14.982,626 0.643,627 3.892,628 4.205,629 4.443,630 4.691,631 4.883,632 4.92,633 5.024,634 5.147,635 5.242,636 5.323,637 8.712,638 0.612,639 620.81,640 3.892,641 5.434,642 6.271,643 7.144,644 7.999,645 8.877,646 9.74,647 10.62,648 11.487,649 12.369,650 4.6,652 1,657 3,662 11,666 7,667 18,668 1,669 1,675 2,676 87,677 21,678 3,679 48,680 90,681 35,682 18,683 7,684 11,685 2,686 4,687 4,690 3,694 1,697 6,698 21,699 14,701 3,704 3,708 3,712 2,713 42,714 10,715 3,716 10,719 4,721 1,722 4,724 1,732 4,741 1,748 1,751 1,753 4,756 3,758 2,759 45,762 1,763 8,764 2,767 3,768 2,771 2,772 4.6,773 1,775 3,778 24.5,779 16.052,780 10.111,781 5.576,783 2.136,784 1.264,785 0.934,786 12.236,787 10.238,788 4.111,789 4.63,790 5.101,791 5.572,792 6.018,793 6.076,794 6.263,795 6.423,796 6.629,797 6.822,798 0.9,799 72,800 17.075,801 7.533,802 8.004,803 31.704,804 26,805 2.504,806 112.667,809 459.073,810 197.13,811 42.27,813 118.118,814 29.92,816 197.13,817 577.191,818 72.19,819 26.476,820 42.391,821 164.933,822 89.549,823 34.17,824 29.92,825 459.073,827 459.073,828 239.4,829 148.038,831 418.367,832 146.061,833 42.683,835 86.878,836 152.523,839 488.993,840 160.388,841 197.13,844 459.073,845 66.416,846 136.963,847 36.022,848 148.038,849 459.073,850 190.308,851 197.13,852 0.574,853 0.335,854 0.186,855 0.101,856 27,857 15,858 0.144,859 13,861 1,862 5.053,863 465.969,865 24,866 231.133,870 34.241,871 16.081,872 9.198,874 190.308,875 17.349,879 0.809,880 78.705,881 846.512,882 60,885 40.57,889 -1.118,891 87.414,892 98.814,893 0.244,894 0.564,895 0.788,896 0.87,897 0.878,898 0.882,899 5.359,900 2.017,901 6.26,902 6.518,903 4.89,904 5.318,905 2.654,906 7.059,907 4.837,908 6.539,909 1.92,910 7.816,911 5.917,912 4.511,913 5.085,914 1.738,915 7.915,916 4.421,917 7.828,918 1.879,919 9.47,920 5.385,921 6.475,922 7.375,923 3.347,924 11.019,925 6.372,926 9.145,927 1.727,928 11.18,929 5.137,930 6.878,931 7.889,932 3.249,933 12.668,934 6.747,935 10.492,936 1.428,937 12.925,938 4.963,939 8.332,940 9.707,941 4.395,942 15.297,943 8.183,944 11.858,945 1.414,946 14.696,947 3.402,948 9.101,949 10.576,950 4.701,951 17.3,952 8.927,953 13.239,954 1.247,955 16.485,956 3.165,957 10.346,958 12.187,959 5.624,960 19.751,961 10.154,962 3.148,963 1.217,964 18.289,965 3.031,966 11.292,967 13.249,968 6.122,969 21.923,970 11.075,971 3.038,972 10.696,973 20.104,974 2.334,975 12.451,976 14.753,977 6.933,978 24.304,979 12.215,980 2.833,981 9.874,982 21.928,983 3.996,984 13.482,985 15.929,986 7.523,987 26.56,988 13.222,989 2.737,990 8.913,991 23.761,992 3.814,993 14.609,994 17.373,995 8.276,996 28.915,997 14.328,998 2.625,999 8.416,1000 25.6,1001 3.489,1002 15.682,1003 18.619,1004 8.912,1005 31.214,1006 15.377,1007 2.42,1008 7.852,1009 27.445,1010 3.336,1011 16.799,1012 20.029,1013 9.635,1014 33.561,1015 16.471,1016 2.231,1017 7.024,1018 29.296,1019 3.287,1020 17.894,1021 21.32,1022 10.295,1023 35.884,1024 17.543,1025 31748,1026 52187,1027 31.035,1028 55.944,1029 71.488,1030 74.617,1031 74.368,1032 70.889,1033 70.687,1034 86.97,1035 11.604,1036 200.305,1037 68.746,1038 5.379,1039 5.881,1040 6.498,1041 5.185,1042 5.148,1043 6.996,1044 3.462,1045 18.119,1046 5.054,1047 27.972,1048 1.489,1049 1.555,1050 1.549,1051 1.477,1052 1.473,1053 1.812,1054 0.242,1055 4.173,1056 1.432,1057 4.035,1058 4.068,1059 3.978,1060 3.941,1061 8.211,1062 3.944,1063 3.943,1064 3.974,1065 3.893,1066 3.866,1067 8.191,1068 3.866,1069 3.918,1070 3.948,1071 3.858,1072 3.844,1073 7.433,1074 3.842,1075 3.807,1076 3.85,1077 3.732,1078 3.642,1079 7.426,1080 3.66,1081 3.733,1082 3.799,1083 3.616,1084 3.56,1085 7.425,1086 3.56,1087 3.575,1088 3.632,1089 3.476,1090 3.384,1091 6.448,1092 3.397,1093 3.501,1094 3.586,1095 3.279,1096 3.348,1097 4.756,1098 3.32,1099 3.308,1100 3.351,1101 3.22,1102 3.119,1103 4.668,1104 3.131,1105 0.091,1106 0.081,1107 0.139,1108 0.086,1109 0.066,1110 4.379,1111 0.083,1112 3.881,1113 0.041,1114 6.696,1115 0.223,1116 4.117,1117 0.064,1118 3.148,1119 3.996,1120 1.988,1121 10.696,1122 3.054,1123 1.957,1124 1.935,1125 2.061,1126 2.077,1127 1.331,1128 2.071,1129 1.924,1130 1.894,1131 2.048,1132 2.041,1133 1.254,1134 2.042,1135 1.906,1136 1.88,1137 2.016,1138 2.004,1139 1.211,1140 2.009,1141 1.754,1142 1.709,1143 1.957,1144 1.93,1145 1.15,1146 1.931,1147 1.708,1148 1.64,1149 1.909,1150 1.904,1151 1.09,1152 1.922,1153 1.539,1154 1.465,1155 1.861,1156 1.74,1157 1.089,1158 1.785,1159 1.523,1160 1.459,1161 1.72,1162 1.738,1163 0.954,1164 1.735,1165 1.272,1166 1.211,1167 1.56,1168 1.495,1169 0.658,1170 1.517,1171 4.575,1173 5.889,1175 7.391,1177 8.981,1179 10.618,1180 5.771,1182 28.245,1184 11.599,1185 3.799,1186 5.871,1189 -3.618,1190 3.389,1192 53.247,1193 136.534,1194 316.313,1195 441.463,1196 487.517,1197 492.271,1198 494.271,1199 179.101,1200 8.102,1201 101.98,1202 101.98,1203 24,1204 12.907,1205 4.459,1206 3.7,1207 87.571,1208 223,1209 259,1210 0.177,1211 327.359,1212 591.54,1213 790.515,1214 38340,1215 2.3,1216 32.509,1217 0.722,1218 0.579,1219 30.769,1220 26.062,1221 21.587,1222 0.45,1223 0.323,1224 15.295,1225 20.77,1226 14.899,1227 12.403,1228 20.799,1229 15.501,1230 19.334,1231 0.293,1232 0.176,1233 18.055,1234 11.609,1235 15.524,1236 0.185,1237 0.093,1238 14.973,1239 7.849,1240 13.097,1241 0.121,1242 0.053,1243 12.214,1244 5.776,1245 10.141,1246 0.077,1247 0.03,1248 9.922,1249 3.891,1250 0.278,1251 135.575,1252 0.18,1253 39.138,1254 0.491,1255 228,1256 765.534,1257 253.012,1258 684.329,1259 894.51,1260 634,1261 264,1262 619.863,1263 289.003,1264 616.749,1265 900.6,1266 579,1267 7.523} {0 CHEMBL509903,1 1.696,2 15.791,3 7.545,4 56.932,5 166.987,6 8.627,7 0.375,8 4.422,9 4.528,10 4.109,11 4.025,12 5.495,13 3.995,14 4.99,15 5.148,16 4.505,17 4.433,18 6.051,19 4.378,20 5.305,21 5.503,22 4.783,23 4.62,24 6.437,25 4.545,26 5.358,27 5.559,28 4.645,29 4.616,30 6.476,31 4.524,32 5.364,33 5.568,34 4.579,35 4.631,36 6.496,37 4.538,38 5.418,39 5.619,40 4.658,41 4.713,42 6.457,43 4.613,44 5.508,45 5.741,46 4.591,47 4.744,48 6.463,49 4.606,50 5.437,51 5.686,52 4.539,53 4.69,54 6.321,55 4.536,56 0.101,57 1.155,58 12.322,59 7.033,60 13.777,61 8.595,62 0.368,63 1.918,64 27.191,65 12.353,66 35.058,67 15.313,68 0.996,69 2.433,70 52.588,71 17.909,72 103.341,73 22.014,74 1.074,75 2.436,76 55.281,77 19.153,78 121.36,79 23.579,80 1.092,81 2.586,82 54.689,83 19.083,84 153.348,85 23.715,86 0.842,87 2.662,88 52.349,89 20.012,90 115.24,91 24.988,92 1.039,93 2.793,94 66.32,95 22.644,96 130.74,97 29.104,98 0.74,99 2.59,100 62.09,101 22.222,102 92.987,103 29.708,104 37,105 69,106 0.261,107 0.585,108 0.782,109 0.882,110 0.892,111 0.892,112 3.788,113 0.983,114 -6.82,115 -6.63,116 -6.14,117 44,119 5,123 4,125 3,132 2,135 9,136 3,137 6,145 1,154 16,156 1,157 6,162 2,163 18,167 6,170 1,171 3,174 20,178 11,181 2,183 2,186 16,190 9,192 2,194 3,197 12,201 8,206 7,208 19,212 5,217 7,220 21,224 3,228 5,231 19,236 4,241 6,243 19,246 4439,247 29.068,248 29.068,249 29.068,250 29.068,251 29.068,252 26.289,253 35.23,254 16.787,255 29.785,256 23.613,257 23.613,258 23.613,259 23.613,260 23.613,261 19.477,262 43.029,263 7.919,264 25.06,265 4.533,266 2.421,267 1.141,268 0.49,269 0.427,270 0.427,271 4.491,272 3,276 1493,277 4.243,278 77.437,280 718.384,282 186.321,285 2.503,286 59.389,288 0.5,289 0.33,290 0.5,291 0.8,292 0.5,293 0.67,294 1,295 0.61,296 93.5,297 679,298 4.574,299 3.837,300 6.983,301 4.281,302 3.297,303 4.125,304 1.23,305 11.851,306 3.248,307 4.428,308 3.541,309 6.557,310 3.971,311 3.062,312 4.066,313 0.86,314 10.145,315 2.86,316 4.328,317 3.429,318 6.447,319 3.958,320 3.012,321 3.98,322 0.657,323 9.957,324 2.744,325 4.067,326 3.235,327 6.278,328 3.784,329 2.856,330 3.518,331 0.521,332 9.227,333 2.623,334 3.888,335 2.876,336 5.83,337 3.62,338 2.631,339 3.062,340 0.4,341 8.003,342 2.582,343 3.533,344 2.817,345 5.438,346 3.334,347 2.358,348 2.855,350 7.017,351 2.294,352 3.521,353 2.773,354 5.411,355 3.288,356 2.291,357 2.701,359 6.853,360 2.283,361 3.428,362 2.556,363 5.318,364 3.091,365 2.199,366 2.518,368 6.52,369 1.925,370 3.286,371 2.473,372 5.085,373 2.955,374 2.016,375 2.457,377 5.883,378 1.881,379 3.076,380 2.349,381 4.974,382 2.799,383 1.836,384 2.276,386 5.433,387 1.692,388 2.983,389 2.302,390 4.575,391 2.665,392 1.751,393 2.03,395 4.446,396 1.576,397 2.867,398 1.994,399 4.507,400 2.503,401 1.536,402 1.987,404 4.344,405 1.464,406 2.829,407 1.923,408 3.987,409 2.359,410 1.414,411 1.846,413 3.186,414 1.288,415 2.522,416 1.748,417 3.849,418 2.322,419 1.377,420 1.52,422 3.093,423 1.28,424 2.5,425 1.524,426 3.692,427 2.021,428 1.106,429 1.5,431 2.55,432 1.009,433 21.081,434 0.49,435 1.134,436 0.026,437 49.25,438 1.145,439 21.5,440 0.5,441 27.75,442 0.645,443 50.17,444 1.167,445 46.719,446 0.623,447 41.936,448 0.975,449 9.397,450 0.219,451 11.398,452 0.265,453 0.145,455 0.375,458 2,459 0.605,460 1.049,461 0.557,462 0.897,463 0.503,464 0.867,465 0.741,466 1.06,467 0.67,468 0.929,469 0.557,470 0.951,471 0.763,472 0.949,473 0.696,474 0.888,475 0.699,476 0.889,477 0.868,478 0.944,479 0.909,480 1.037,481 0.949,482 1.041,483 0.87,484 0.823,485 0.898,486 0.971,487 1.001,488 1.008,489 0.845,490 0.949,491 0.825,492 1.008,493 0.876,494 1.07,495 0.787,496 0.829,497 0.933,498 0.973,499 0.757,500 1.055,501 0.531,502 0.838,503 0.805,504 0.958,505 0.485,506 1.008,507 8,508 0.296,509 5.389,510 3.313,511 2.817,512 1.5,513 1.078,514 0.911,515 0.582,516 0.424,517 34625,518 110402,519 2.111,520 42.7,521 2,522 20,525 2,527 8,529 1.816,530 1.969,531 3.851,532 0.114,535 127.187,536 1.696,537 3.808,538 5.088,539 5.739,540 5.802,541 5.802,542 3.364,543 5.13,544 5.394,545 4.145,546 3743.05,547 9.544,548 69814.4,552 467.161,553 1.432,554 5.355,555 0.167,556 0.007,557 0.082,558 0.044,559 0.041,560 0.021,561 0.015,562 0.014,563 0.009,564 0.007,565 0.407,566 0.33,567 0.63,568 0.523,569 249.713,570 -0.032,571 -0.037,572 0.013,573 0.01,574 -0.008,575 0.034,576 -0.035,577 -0.086,578 0.008,579 -0.023,580 0.022,581 -0.033,582 0.119,583 0.015,584 0.164,585 0.06,586 0.1,587 0.072,588 0.047,589 -0.043,590 -0.03,591 -0.083,592 0.005,593 -0.073,594 0.002,595 0.058,596 -0.077,597 -0.029,598 0.007,599 -0.043,600 -0.069,601 -0.058,602 -0.061,603 -0.076,604 -0.045,605 -0.107,606 -0.064,607 0.013,608 -0.07,609 -0.02,610 -0.04,611 -0.055,612 0.038,613 -0.032,614 0.058,615 0.015,616 0.037,617 0.034,618 2.382,619 7.342,620 0.698,621 61.737,622 1.013,623 1.126,624 5.586,625 31.207,626 0.698,627 3.892,628 4.248,629 4.533,630 4.787,631 5.043,632 5.136,633 5.278,634 5.403,635 5.509,636 5.583,637 9.472,638 0.663,639 647.03,640 3.892,641 5.46,642 6.333,643 7.225,644 8.113,645 9.01,646 9.904,647 10.805,648 11.704,649 12.608,650 4,652 2,657 1,662 9,666 9,667 18,674 1,675 5,676 75,677 20,678 3,679 48,680 80,681 33,682 18,683 9,684 9,685 3,686 6,687 7,688 3,694 6,697 8,698 21,699 12,701 2,704 1,708 3,712 2,713 32,714 7,715 2,716 10,717 3,719 3,721 0.833,722 2,730 1,732 5,734 1,741 1,746 2,748 2,753 5,757 3,758 2,759 43,763 9,764 2,765 1,767 3,768 1,771 5,772 2.7,775 1,777 1,778 21.833,779 13.248,780 9.306,781 4.742,783 3.195,784 1.362,785 1.001,786 9.509,787 12.026,788 4.094,789 4.677,790 5.208,791 5.691,792 6.175,793 6.316,794 6.544,795 6.839,796 7.117,797 7.299,798 1,799 75,800 16.122,801 7.218,802 7.857,803 30.677,804 26.488,805 2.357,806 101.333,809 353.133,810 163.488,811 39.146,812 117.446,813 36.145,814 29.92,816 163.488,817 506.724,818 69.066,820 26.706,821 121.308,822 29.85,823 60.915,824 29.92,825 353.133,826 117.446,827 353.133,828 202.634,829 66.065,830 117.446,831 288.884,832 130.314,835 62.728,836 139.906,837 117.446,839 383.053,840 75.291,841 280.934,844 353.133,845 78.202,846 88.411,847 36.022,848 183.511,849 353.133,850 105.211,851 280.934,852 0.592,853 0.349,854 0.183,855 0.099,856 34,857 16,858 0.125,859 10,860 2,861 1.1,862 5.167,863 453.364,864 0.133,865 29,866 227.329,870 30.666,871 13.333,872 6.993,874 105.211,875 15.793,879 1.922,880 36.022,881 739.278,882 59,885 14.342,889 1.926,891 75.978,892 84.484,893 0.272,894 0.611,895 0.817,896 0.921,897 0.932,898 0.932,899 5.373,900 2.199,901 6.333,902 6.853,903 4.934,904 5.366,905 1.958,906 7.179,907 4.821,908 6.58,909 2.016,910 7.921,911 6.52,912 4.635,913 5.239,914 0.325,915 8.176,916 4.436,917 7.899,918 1.836,919 9.61,920 5.883,921 6.578,922 7.512,923 1.879,924 11.283,925 6.38,926 9.248,927 1.751,928 11.357,929 5.433,930 7.066,931 8.171,932 0.74,933 13.085,934 6.783,935 10.63,936 1.536,937 13.141,938 4.446,939 8.509,940 9.964,941 1.996,942 15.743,943 8.226,944 12.034,945 1.414,946 14.95,947 4.344,948 9.351,949 10.984,950 1.168,951 17.888,952 9.001,953 13.455,954 1.377,955 16.778,956 3.186,957 10.605,958 12.578,959 2.216,960 20.394,961 10.246,962 3.297,963 1.106,964 18.621,965 3.093,966 11.613,967 13.778,968 1.605,969 22.697,970 11.206,971 3.062,972 11.851,973 20.475,974 2.55,975 12.795,976 15.278,977 2.496,978 25.152,979 12.374,980 3.012,981 10.145,982 22.34,983 4.125,984 13.88,985 16.57,986 2.049,987 27.529,988 13.426,989 2.856,990 9.957,991 24.212,992 4.066,993 15.038,994 18.022,995 2.813,996 29.972,997 14.57,998 2.631,999 9.227,1000 26.091,1001 3.98,1002 16.16,1003 19.364,1004 2.494,1005 32.386,1006 15.671,1007 2.358,1008 8.003,1009 27.975,1010 3.518,1011 17.313,1012 20.792,1013 3.155,1014 34.83,1015 16.812,1016 2.291,1017 7.017,1018 29.865,1019 3.062,1020 18.453,1021 22.161,1022 2.938,1023 37.265,1024 17.939,1025 32140,1026 57692,1027 32.134,1028 52.319,1029 72.743,1030 76.617,1031 75.258,1032 72.055,1033 71.927,1034 88.148,1035 7.338,1036 212.73,1037 67.282,1038 5.574,1039 5.837,1040 6.658,1041 5.352,1042 5.297,1043 7.125,1044 2.335,1045 19.434,1046 5.248,1047 22.939,1048 1.515,1049 1.596,1050 1.568,1051 1.501,1052 1.498,1053 1.836,1054 0.153,1055 4.432,1056 1.402,1057 4.076,1058 4.112,1059 4.134,1060 3.992,1061 8.206,1062 3.991,1063 3.943,1064 3.978,1065 4.042,1066 3.885,1067 8.196,1068 3.876,1069 3.92,1070 3.935,1071 3.979,1072 3.827,1073 7.427,1074 3.835,1075 3.849,1076 3.884,1077 3.797,1078 3.76,1079 5.036,1080 3.755,1081 3.823,1082 3.87,1083 3.725,1084 3.706,1085 4.875,1086 3.701,1087 3.537,1088 3.595,1089 3.427,1090 3.389,1091 4.753,1092 3.381,1093 3.406,1094 3.448,1095 3.407,1096 3.224,1097 4.506,1098 3.237,1099 3.237,1100 3.314,1101 3.34,1102 3.071,1103 4.489,1104 3.062,1105 0.095,1106 0.08,1107 0.145,1108 0.089,1109 0.069,1110 4.574,1111 0.086,1112 3.837,1113 0.026,1114 6.983,1115 0.247,1116 4.281,1117 0.068,1118 3.297,1119 4.125,1120 1.23,1121 11.851,1122 3.248,1123 2.007,1124 1.98,1125 2.118,1126 2.117,1127 1.42,1128 2.119,1129 1.9,1130 1.883,1131 2.003,1132 1.99,1133 1.274,1134 1.997,1135 1.854,1136 1.84,1137 1.969,1138 1.968,1139 1.175,1140 1.979,1141 1.824,1142 1.784,1143 1.895,1144 1.943,1145 1.027,1146 1.936,1147 1.533,1148 1.475,1149 1.771,1150 1.72,1151 0.977,1152 1.737,1153 1.457,1154 1.407,1155 1.62,1156 1.674,1157 0.905,1158 1.663,1159 1.246,1160 1.176,1161 1.532,1162 1.466,1163 0.857,1164 1.49,1165 1.203,1166 1.143,1167 1.513,1168 1.376,1169 0.825,1170 1.429,1171 4.575,1172 1.946,1173 5.922,1174 3.714,1175 7.469,1176 5.476,1177 9.109,1178 7.252,1179 10.797,1181 18.669,1182 27.657,1185 6.117,1186 7.147,1187 5.45,1189 0.345,1190 1.964,1192 49.698,1193 127.187,1194 285.599,1195 381.613,1196 430.407,1197 435.161,1198 435.161,1199 108.773,1200 8.831,1201 53.6,1202 53.6,1203 33,1204 13.129,1205 4.392,1206 3.585,1207 63.976,1208 237,1209 252,1210 0.125,1211 306.526,1212 551.91,1213 739.684,1214 107803,1215 6.7,1216 30.087,1217 0.7,1218 0.598,1219 29.846,1220 25.713,1221 20.796,1222 0.433,1223 0.328,1224 14.513,1225 19.339,1226 14.179,1227 11.552,1228 20.84,1229 15.725,1230 19.013,1231 0.276,1232 0.182,1233 19.055,1234 12.532,1235 16.417,1236 0.178,1237 0.1,1238 16.753,1239 9.233,1240 13.247,1241 0.111,1242 0.054,1243 13.346,1244 6.478,1245 10.839,1246 0.07,1247 0.03,1248 10.903,1249 4.59,1250 0.201,1251 138.964,1252 0.176,1253 38.347,1254 0.332,1255 234,1256 752.614,1257 300.166,1258 763.518,1259 995.37,1260 710,1261 281,1262 644.332,1263 346.334,1264 669.475,1265 995.49,1266 632,1267 5.092} {0 CHEMBL559358,1 1.403,2 16.026,3 3.327,4 11.07,5 154.318,6 5.998,7 0.154,8 4.549,9 4.692,10 3.876,11 3.967,12 5.561,13 3.913,14 5.138,15 5.351,16 4.202,17 4.368,18 6.052,19 4.279,20 5.446,21 5.667,22 4.364,23 4.6,24 6.417,25 4.482,26 5.698,27 5.975,28 4.345,29 4.683,30 6.616,31 4.532,32 5.675,33 5.954,34 4.393,35 4.695,36 6.601,37 4.55,38 5.668,39 5.916,40 4.409,41 4.729,42 6.693,43 4.587,44 5.75,45 6.028,46 4.362,47 4.763,48 6.597,49 4.594,50 5.751,51 6.034,52 4.372,53 4.741,54 6.596,55 4.571,56 0.104,57 1.187,58 23.104,59 8.962,60 23.295,61 12.734,62 0.468,63 1.808,64 40.643,65 14.398,66 63.379,67 20.888,68 0.614,69 2.353,70 55.099,71 18.561,72 90.174,73 27.665,74 1.119,75 2.648,76 69.593,77 20.686,78 151.225,79 32.083,80 0.937,81 2.636,82 67.463,83 21.154,84 143.462,85 32.41,86 1.034,87 2.702,88 68.146,89 21.853,90 182.468,91 32.804,92 0.953,93 2.819,94 72.315,95 23.164,96 134.465,97 35.332,98 0.792,99 2.762,100 71.979,101 23.076,102 121.643,103 35.265,104 218,105 53,106 0.213,107 0.497,108 0.749,109 0.837,110 0.857,111 0.857,112 3.692,113 1.079,114 -3.24,115 -3.23,116 -3.1,117 32.6,118 6,119 4,120 4,121 1,122 2,123 3,125 2,135 3,136 1,137 2,145 2,148 2,149 2,150 2,154 15,157 6,159 1,160 2,162 5,163 16,165 2,166 1,167 8,170 1,171 10,173 1,174 13,176 4,177 1,178 6,181 1,182 1,183 7,185 1,186 11,188 3,190 5,192 1,193 1,194 8,197 16,199 4,200 1,201 6,203 2,204 2,205 1,206 9,207 1,208 18,210 5,211 1,212 9,217 7,220 14,222 3,224 8,225 1,226 1,228 8,231 13,233 3,236 5,238 1,239 3,240 1,241 5,242 1,243 14,245 2,246 3379,247 24.714,248 24.714,249 24.714,250 24.714,251 24.714,252 23.691,253 30.354,254 14.562,255 25.27,256 19.013,257 19.013,258 19.013,259 19.013,260 19.013,261 17.303,262 33.039,263 6.681,264 19.708,265 5.12,266 3.243,267 1.582,268 1,269 0.87,270 0.87,271 4.34,276 1222,277 6.519,280 171.635,285 2.489,286 52.401,288 0.5,289 0.33,290 0.5,291 0.8,292 1,293 0.33,295 0.5,296 85.5,297 625,298 4.411,299 3.935,300 7.207,301 4.337,302 3.334,303 3.913,304 1.907,305 11.928,306 3.341,307 4.274,308 3.721,309 6.37,310 3.969,311 2.977,312 3.527,313 1.886,314 9.558,315 2.958,316 4.057,317 3.228,318 6.183,319 3.897,320 2.924,321 3.181,322 0.86,323 9.217,324 2.861,325 3.844,326 2.981,327 6.043,328 3.755,329 2.778,330 2.968,331 0.86,332 8.632,333 2.689,334 3.581,335 2.76,336 5.736,337 3.47,338 2.5,339 2.714,340 0.86,341 7.511,342 2.413,343 3.375,344 2.556,345 5.18,346 3.121,347 2.142,348 2.451,349 0.149,350 6.311,351 2.087,352 3.064,353 2.384,354 4.725,355 2.878,356 1.876,357 2.1,359 4.762,360 1.869,361 2.977,362 2.341,363 4.418,364 2.738,365 1.825,366 2.072,368 4.377,369 1.658,370 2.804,371 2.316,372 4.337,373 2.461,374 1.547,375 1.746,377 3.515,378 1.44,379 2.699,380 2.14,381 4.094,382 2.443,383 1.421,384 1.712,386 3.301,387 1.409,388 2.404,389 1.571,390 3.703,391 2.362,392 1.373,393 1.402,395 3.265,396 1.349,397 2.119,398 1.441,399 3.618,400 1.983,401 1,402 1.09,404 2.43,405 0.98,406 2.04,407 1.209,408 3.309,409 1.881,410 1,411 1.027,413 1.884,414 0.87,415 1.788,416 1.156,417 3.149,418 1.644,419 0.708,420 0.744,422 1.649,423 0.657,424 1.695,425 1.024,426 3.003,427 1.514,428 0.612,429 0.652,431 1.114,432 0.546,433 18.2,434 0.467,435 1.274,436 0.033,437 32.75,438 0.84,439 10,440 0.256,441 22.75,442 0.583,443 57.867,444 1.484,445 49,446 0.533,447 29.487,448 0.756,449 5.784,450 0.148,451 12.443,452 0.319,453 0.319,454 0.027,455 0.302,459 0.891,460 1.491,461 1.07,462 1.427,463 0.851,464 1.287,465 0.983,466 1.124,467 0.97,468 1.096,469 0.667,470 1.043,471 0.947,472 1.389,473 1.111,474 1.338,475 0.987,476 1.265,477 1.113,478 0.945,479 1.058,480 0.946,481 1.321,482 0.98,483 0.931,484 0.957,485 0.923,486 0.941,487 0.988,488 0.928,489 1.094,490 1.118,491 1.131,492 1.134,493 1.195,494 1.142,495 0.943,496 1.03,497 1.028,498 1.045,499 1.013,500 1.048,501 0.862,502 1.09,503 0.944,504 1.09,505 0.788,506 1.04,507 10.5,508 0.277,509 5.556,510 2.563,511 2.373,512 1.66,513 1.1,514 0.908,515 0.765,516 0.437,517 21757,518 53478,519 1.812,520 57.6,521 23,522 17,525 6,526 1,527 4,528 2,529 1.795,530 1.631,531 3.913,532 2.94,535 129.117,536 1.403,537 3.281,538 4.941,539 5.523,540 5.654,541 5.654,542 3.384,543 4.926,544 5.254,545 4.122,546 3054.38,547 9.274,548 54550.9,552 600.168,553 1.709,554 5.153,555 0.269,556 0.007,557 0.105,558 0.044,559 0.043,560 0.028,561 0.019,562 0.016,563 0.014,564 0.009,565 0.553,566 0.17,567 0.75,568 2.871,569 221.822,570 -0.056,571 -0.025,572 0.004,573 -0.039,574 -0.101,575 -0.006,576 -0.006,577 0.076,578 0.066,579 0.088,580 0.058,581 0.087,582 0.008,583 -0.216,584 -0.086,585 -0.182,586 -0.008,587 -0.156,588 -0.059,589 0.068,590 -0.047,591 0.026,592 -0.114,593 -0.003,594 0.003,595 0.056,596 0.062,597 0.062,598 0.043,599 0.073,600 -0.036,601 -0.045,602 -0.11,603 -0.073,604 0.026,605 -0.103,606 -0.042,607 -0.016,608 -0.051,609 -0.028,610 -0.081,611 -0.038,612 -0.002,613 -0.099,614 0.019,615 -0.077,616 0.013,617 -0.032,618 2.177,619 5.935,620 0.154,621 52.602,622 0.993,623 1.143,624 2.008,625 4.032,626 0.595,627 3.689,628 3.989,629 4.127,630 4.174,631 4.344,632 4.357,633 4.369,634 4.443,635 4.419,636 4.234,637 9.21,638 0.549,639 551.86,640 3.689,641 5.22,642 6.023,643 6.872,644 7.703,645 8.552,646 9.393,647 10.243,648 11.088,649 11.94,650 3.3,651 1,657 2,662 3,666 3,667 6,674 2,676 92,677 8,678 1,679 39,680 92,681 30,682 6,683 3,684 3,686 1,687 1,690 6,691 1,697 6,698 8,699 22,700 4,701 2,704 2,708 2,713 53,714 9,715 6,716 9,719 3,721 1,722 6,724 1,732 1,739 1,740 1,747 1,751 1,752 1,753 1,756 8,759 39,760 2,762 1,763 7,764 1,765 3,767 6,769 1,772 6.5,773 1,775 2,776 1,777 2,778 23.917,779 17.95,780 8.931,781 5.518,783 1.122,784 1.159,785 0.851,786 15.568,787 8.189,788 3.807,789 4.227,790 4.535,791 4.799,792 5.198,793 5.277,794 5.367,795 5.522,796 5.574,797 5.456,798 0.909,799 58,800 14.614,801 5.968,802 7.835,803 27.857,804 22.073,805 2.335,806 91.083,809 553.242,810 147.656,811 83.805,813 125.973,816 147.656,817 679.215,818 83.805,819 74.717,820 105.234,821 71.112,822 70.699,823 35.672,825 553.242,827 553.242,828 231.462,829 125.973,831 482.615,832 142.916,833 53.683,835 158.185,836 73.277,839 553.242,840 209.778,841 147.656,844 553.242,845 44.51,846 103.146,847 18.011,848 191.767,849 553.242,850 209.778,851 147.656,852 0.58,853 0.328,854 0.141,855 0.078,856 17,857 13,858 0.207,859 19,861 1,862 4.577,863 339.163,865 6,866 200.131,870 35.326,871 17.187,872 12.144,874 209.778,875 5.957,879 2.485,880 126.488,881 910.676,882 44,885 24.546,889 -0.686,891 91.359,892 105.131,893 0.215,894 0.503,895 0.757,896 0.847,897 0.867,898 0.867,899 5.072,900 1.825,901 6.052,902 4.762,903 4.673,904 4.913,905 2.846,906 6.86,907 4.619,908 6.245,909 1.547,910 7.641,911 4.377,912 4.511,913 4.832,914 2.179,915 8.023,916 4.475,917 7.539,918 1.421,919 9.341,920 3.515,921 6.319,922 6.857,923 3.636,924 10.976,925 6.243,926 8.865,927 1.373,928 11.107,929 3.301,930 6.929,931 7.525,932 3.675,933 12.926,934 6.872,935 10.224,936 1,937 12.914,938 3.265,939 8.293,940 9.144,941 4.711,942 15.487,943 8.213,944 11.604,945 1,946 14.749,947 2.43,948 9.216,949 10.125,950 5.057,951 17.735,952 9.149,953 12.999,954 0.708,955 16.606,956 1.884,957 10.433,958 11.602,959 5.903,960 20.195,961 10.357,962 3.334,963 0.612,964 18.48,965 1.649,966 11.489,967 12.736,968 6.392,969 22.565,970 11.422,971 2.977,972 11.928,973 20.367,974 1.114,975 12.66,976 14.153,977 7.141,978 25.009,979 12.591,980 2.924,981 9.558,982 22.265,983 3.913,984 13.774,985 15.37,986 7.701,987 27.431,988 13.712,989 2.778,990 9.217,991 24.173,992 3.527,993 14.935,994 16.757,995 8.4,996 29.881,997 14.876,998 2.5,999 8.632,1000 26.089,1001 3.181,1002 16.078,1003 18.024,1004 8.997,1005 32.328,1006 16.025,1007 2.142,1008 7.511,1009 28.012,1010 2.968,1011 17.241,1012 19.396,1013 9.669,1014 34.787,1015 17.193,1016 1.876,1017 6.311,1018 29.941,1019 2.714,1020 18.4,1021 20.694,1022 10.286,1023 37.247,1024 18.359,1025 22865,1026 35934,1027 23.175,1028 54.779,1029 57.456,1030 60.054,1031 60.854,1032 56.781,1033 56.92,1034 63.571,1035 13.044,1036 160.702,1037 55.088,1038 5.385,1039 5.935,1040 7.143,1041 5.385,1042 5.334,1043 6.913,1044 3.306,1045 18.576,1046 5.341,1047 31.42,1048 1.473,1049 1.54,1050 1.56,1051 1.456,1052 1.459,1053 1.63,1054 0.334,1055 4.121,1056 1.413,1057 3.996,1058 4.03,1059 3.922,1060 3.906,1061 7.437,1062 3.904,1063 3.883,1064 3.92,1065 3.796,1066 3.756,1067 7.427,1068 3.757,1069 3.792,1070 3.838,1071 3.686,1072 3.658,1073 6.449,1074 3.656,1075 3.733,1076 3.782,1077 3.611,1078 3.612,1079 4.988,1080 3.604,1081 3.625,1082 3.677,1083 3.471,1084 3.433,1085 4.919,1086 3.431,1087 3.543,1088 3.613,1089 3.388,1090 3.374,1091 4.883,1092 3.366,1093 3.352,1094 3.421,1095 3.214,1096 3.124,1097 4.635,1098 3.123,1099 3.306,1100 3.365,1101 3.141,1102 3.068,1103 4.45,1104 3.083,1105 0.113,1106 0.101,1107 0.185,1108 0.111,1109 0.085,1110 4.411,1111 0.1,1112 3.935,1113 0.049,1114 7.207,1115 0.306,1116 4.337,1117 0.086,1118 3.334,1119 3.913,1120 1.907,1121 11.928,1122 3.341,1123 1.945,1124 1.918,1125 2.098,1126 2.058,1127 1.462,1128 2.071,1129 1.847,1130 1.806,1131 2.029,1132 2.007,1133 1.353,1134 2.012,1135 1.771,1136 1.727,1137 1.964,1138 1.94,1139 1.215,1140 1.947,1141 1.734,1142 1.685,1143 1.94,1144 1.894,1145 1.169,1146 1.914,1147 1.592,1148 1.537,1149 1.855,1150 1.815,1151 1.089,1152 1.828,1153 1.538,1154 1.471,1155 1.81,1156 1.752,1157 1.044,1158 1.775,1159 1.308,1160 1.238,1161 1.616,1162 1.574,1163 0.818,1164 1.582,1165 1.245,1166 1.184,1167 1.57,1168 1.54,1169 0.652,1170 1.548,1171 4.369,1173 5.673,1175 7.149,1177 8.703,1179 10.298,1180 14.86,1183 11.941,1184 11.026,1185 3.702,1186 2.837,1187 16.502,1189 -1.234,1191 -0.854,1192 50.523,1193 129.117,1194 301.814,1195 454.58,1196 508.129,1197 520.129,1198 520.129,1199 275.078,1200 7.067,1201 146.13,1202 146.13,1203 6,1204 12.498,1205 3.17,1206 2.585,1207 151.812,1208 215,1209 247,1210 0.337,1211 320.871,1212 576.84,1213 774.684,1214 10633,1216 29.75,1217 0.763,1218 0.648,1219 29.75,1220 25.289,1221 18.226,1222 0.467,1223 0.36,1224 13.819,1225 17.433,1226 13.132,1227 11.147,1228 18.226,1229 14.029,1230 16.69,1231 0.315,1232 0.225,1233 16.69,1234 11.907,1235 12.464,1236 0.204,1237 0.123,1238 12.464,1239 7.497,1240 8.066,1241 0.126,1242 0.069,1243 8.066,1244 4.39,1245 6.402,1246 0.084,1247 0.041,1248 6.402,1249 3.088,1250 0.543,1251 115.353,1252 0.208,1253 35.682,1254 0.888,1255 184,1256 523.785,1257 202.943,1258 488.113,1259 629.11,1260 452,1261 206,1262 419.442,1263 224.78,1264 428.977,1265 609.84,1266 394,1267 5} {0 CHEMBL567893,1 1.541,2 26.506,3 3.608,4 13.018,5 303.731,6 6.599,7 0.071,8 5.223,9 5.359,10 4.633,11 4.624,12 6.309,13 4.597,14 5.821,15 6.027,16 5.011,17 5.021,18 6.878,19 4.967,20 6.157,21 6.37,22 5.193,23 5.246,24 7.277,25 5.176,26 6.355,27 6.594,28 5.328,29 5.32,30 7.528,31 5.275,32 6.372,33 6.569,34 5.402,35 5.379,36 7.78,37 5.344,38 6.461,39 6.691,40 5.407,41 5.506,42 7.605,43 5.429,44 6.565,45 6.795,46 5.495,47 5.589,48 7.744,49 5.513,50 6.649,51 6.883,52 5.448,53 5.624,54 7.877,55 5.523,56 0.208,57 2.397,58 42.165,59 16.115,60 49.209,61 23.003,62 1.402,63 3.664,64 79.783,65 25.44,66 184.303,67 38.387,68 2.442,69 4.607,70 113.983,71 33.627,72 313.442,73 50.556,74 2.827,75 5.025,76 141.257,77 35.849,78 444.904,79 56.145,80 4.563,81 5.306,82 146.35,83 36.487,84 783.609,85 55.532,86 3.405,87 5.941,88 155.582,89 44.412,90 528.019,91 67.105,92 3.332,93 6.467,94 172.179,95 48.697,96 579.421,97 74.138,98 4.851,99 6.782,100 189.826,101 50.72,102 818.572,103 78.207,104 1032,105 117,106 0.203,107 0.436,108 0.675,109 0.797,110 0.856,111 0.874,112 4.432,113 1.019,114 -0.08,115 -0.22,116 -0.41,117 32.6,118 12,119 7,120 5,122 4,123 1,125 12,135 5,136 1,145 11,148 1,149 1,150 1,154 20,156 5,157 8,159 1,160 6,162 8,163 17,165 1,166 9,167 20,169 6,170 5,171 8,174 6,178 27,181 3,182 3,183 9,185 1,186 2,189 13,190 24,191 1,192 9,193 2,194 11,196 1,197 11,200 7,201 26,203 1,204 8,205 2,206 9,208 18,211 1,212 31,215 5,216 3,217 14,219 1,220 23,222 2,223 9,224 23,226 7,227 4,228 15,230 1,231 17,233 3,235 4,236 23,238 1,239 8,240 1,241 16,243 17,245 4,246 25763,247 51.992,248 51.992,249 51.992,250 51.992,251 51.992,252 49.757,253 53.05,254 30.172,255 52.786,256 41.117,257 41.117,258 41.117,259 41.117,260 41.117,261 37.149,262 51.43,263 14.001,264 42.174,265 5.935,266 4.165,267 2.353,268 1.423,269 0.978,270 0.843,271 5.091,276 4413,277 10.075,279 349.501,280 410.739,285 4.259,286 180.567,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 186.5,297 2200,298 4.336,299 4.011,300 6.833,301 4.179,302 3.215,303 3.54,304 2.581,305 11.19,306 3.094,307 4.2,308 3.991,309 6.622,310 4.045,311 3.085,312 3.39,313 2.474,314 10.323,315 2.954,316 4.132,317 3.866,318 6.476,319 3.979,320 3.005,321 3.349,322 2.421,323 9.874,324 2.923,325 4.125,326 3.864,327 6.432,328 3.968,329 2.995,330 3.286,331 2.028,332 9.784,333 2.906,334 4.06,335 3.809,336 6.355,337 3.912,338 2.939,339 3.278,340 2.012,341 9.512,342 2.852,343 4.028,344 3.772,345 6.268,346 3.865,347 2.894,348 3.2,349 1.976,350 9.289,351 2.8,352 3.936,353 3.704,354 6.2,355 3.803,356 2.827,357 3.157,358 1.972,359 9.096,360 2.748,361 3.89,362 3.643,363 6.054,364 3.722,365 2.741,366 3.061,367 1.938,368 8.684,369 2.68,370 3.835,371 3.604,372 5.92,373 3.601,374 2.605,375 2.943,376 1.918,377 8.107,378 2.587,379 3.744,380 3.545,381 5.876,382 3.576,383 2.58,384 2.888,385 1.889,386 8.001,387 2.563,388 3.687,389 3.483,390 5.38,391 3.379,392 2.382,393 2.838,394 1.886,395 6.878,396 2.366,397 3.513,398 2.891,399 5.208,400 3.255,401 2.245,402 2.656,403 0.85,404 6.141,405 2.258,406 3.413,407 2.802,408 5.043,409 3.112,410 2.088,411 2.504,412 0.713,413 5.865,414 2.124,415 3.18,416 2.796,417 4.782,418 3.071,419 2.065,420 2.223,421 0.626,422 5.097,423 2.072,424 3.164,425 2.602,426 4.751,427 2.998,428 2.044,429 2.189,430 0.553,431 5.072,432 1.947,433 37.933,434 0.457,435 2.963,436 0.036,437 74.25,438 0.895,439 22.5,440 0.271,441 51.75,442 0.623,443 152.734,444 1.84,445 102.467,446 0.576,447 107.414,448 1.294,449 13.993,450 0.169,451 24.629,452 0.297,453 0.336,455 0.414,459 0.759,460 1.679,461 0.934,462 1.459,463 0.644,464 1.254,465 0.667,466 1.283,467 0.854,468 1.155,469 0.543,470 1.051,471 0.946,472 1.173,473 1.042,474 1.181,475 0.99,476 1.137,477 1.281,478 1.029,479 0.931,480 0.921,481 1.201,482 0.853,483 1.454,484 1.041,485 1.212,486 0.981,487 1.394,488 1.033,489 1.099,490 1.019,491 1.041,492 1.02,493 1.184,494 1.017,495 1.134,496 1.135,497 1.022,498 1.087,499 1.144,500 1.038,501 1.21,502 1.048,503 1.197,504 1.06,505 1.197,506 1.117,507 22,508 1.095,509 11.111,510 7.993,511 6.161,512 3.809,513 3.701,514 2.425,515 1.767,516 1.687,517 179727,518 491865,519 1.82,520 53.4,521 32,522 31,525 9,526 4,527 19,529 1.961,530 1.622,531 4.609,532 4.505,535 274.252,536 1.541,537 3.311,538 5.122,539 6.053,540 6.498,541 6.633,542 4.084,543 5.989,544 6.349,545 4.897,546 16665.4,547 11.457,548 522744,552 1330.68,553 1.562,554 6.237,555 0.262,556 0.007,557 0.095,558 0.061,559 0.04,560 0.024,561 0.022,562 0.014,563 0.011,564 0.011,565 0.546,566 0.17,567 0.5,568 3.119,569 579.72,570 -0.058,571 -0.202,572 0.014,573 -0.092,574 -0.061,575 -0.031,576 0.142,577 -0.047,578 0.115,579 -0.003,580 0.085,581 0.042,582 0.068,583 -0.026,584 -0.036,585 -0.102,586 -0.054,587 -0.097,588 -0.088,589 -0.023,590 0.107,591 0.049,592 -0.043,593 0.116,594 -0.014,595 0.045,596 -0.12,597 0.013,598 0.073,599 -0.066,600 -0.03,601 0.053,602 -0.028,603 0.017,604 -0.07,605 -0.004,606 -0.059,607 -0.084,608 -0.011,609 -0.047,610 -0.026,611 -0.023,612 -0.056,613 -0.015,614 -0.167,615 -0.065,616 -0.025,617 -0.133,618 3.009,619 7.137,620 0.133,621 179.202,622 1.006,623 1.144,624 -1.155,625 1.333,626 0.601,627 4.443,628 4.771,629 4.949,630 5.136,631 5.198,632 5.231,633 5.328,634 5.293,635 5.323,636 5.328,637 15.663,638 0.569,639 1174.62,640 4.443,641 5.999,642 6.821,643 7.694,644 8.538,645 9.411,646 10.264,647 11.137,648 11.996,649 12.869,650 5.1,653 1,657 8,662 5,666 1,667 6,676 178,677 17,678 1,679 84,680 179,681 58,682 6,683 1,684 5,686 2,687 2,690 12,694 3,697 19,698 17,699 41,700 5,701 11,704 11,708 11,713 95,714 25,715 9,716 25,719 9,721 1,722 16,724 2,729 1,731 1,732 1,739 1,740 5,741 2,743 3,749 1,751 2,753 2,756 16,759 83,760 1,762 2,763 8,764 5,765 3,767 17,768 3,772 9,773 2,775 11,777 3,778 51.167,779 35.25,780 18.611,781 10.932,783 0.648,784 1.077,785 0.853,786 31.769,787 9.069,788 4.595,789 5.001,790 5.251,791 5.524,792 5.741,793 5.639,794 5.798,795 5.917,796 6.014,797 6.033,798 1,799 132,800 31.998,801 14.191,802 8.135,803 57.76,804 46.178,805 2.635,806 218.667,809 1012.32,810 271.6,811 132.324,813 394.961,816 271.6,817 1407.28,818 132.324,819 141.975,820 149.047,821 132.748,822 335.805,823 39.31,825 1012.32,827 1012.32,828 403.924,829 394.961,831 788.664,832 533.245,833 85.367,835 258.074,836 145.85,839 1012.32,840 527.284,841 271.6,844 1012.32,845 82.244,846 198.729,847 90.054,848 427.858,849 1012.32,850 527.284,851 271.6,852 0.587,853 0.332,854 0.173,855 0.086,856 38,857 32,858 0.201,859 36,861 1,862 7.132,863 1005.75,865 11,866 511.128,870 74.204,871 35.534,872 23.827,874 527.284,875 8.895,879 0.717,880 208.318,881 1811.2,882 98,885 149.482,889 -9.161,891 179.148,892 203.689,893 0.206,894 0.443,895 0.685,896 0.81,897 0.869,898 0.887,899 5.885,900 2.741,901 6.847,902 9.096,903 5.46,904 5.69,905 4.472,906 7.663,907 5.41,908 7.054,909 2.605,910 8.432,911 8.684,912 5.263,913 5.585,914 4.073,915 8.63,916 5.202,917 8.337,918 2.58,919 10.115,920 8.107,921 7.072,922 7.527,923 5.737,924 11.695,925 6.965,926 9.642,927 2.382,928 11.852,929 8.001,930 7.611,931 8.132,932 5.999,933 13.434,934 7.485,935 10.974,936 2.245,937 13.623,938 6.878,939 8.97,940 9.641,941 7.217,942 16.046,943 8.799,944 12.323,945 2.088,946 15.417,947 6.141,948 9.822,949 10.536,950 7.778,951 18.109,952 9.624,953 13.686,954 2.065,955 17.229,956 5.865,957 11.02,958 11.896,959 8.822,960 20.553,961 10.781,962 3.215,963 2.044,964 19.054,965 5.097,966 12.013,967 12.92,968 9.541,969 22.764,970 11.74,971 3.085,972 11.19,973 20.889,974 5.072,975 13.151,976 14.223,977 10.51,978 25.146,979 12.839,980 3.005,981 10.323,982 22.732,983 3.54,984 14.208,985 15.31,986 11.318,987 27.429,988 13.859,989 2.995,990 9.874,991 24.581,992 3.39,993 15.326,994 16.588,995 12.256,996 29.792,997 14.939,998 2.939,999 9.784,1000 26.436,1001 3.349,1002 16.414,1003 17.711,1004 13.114,1005 32.113,1006 15.988,1007 2.894,1008 9.512,1009 28.295,1010 3.286,1011 17.528,1012 18.976,1013 14.04,1014 34.474,1015 17.063,1016 2.827,1017 9.289,1018 30.158,1019 3.278,1020 18.632,1021 20.124,1022 14.927,1023 36.818,1024 18.128,1025 181673,1026 301024,1027 49.712,1028 107.064,1029 127.512,1030 135.102,1031 135.15,1032 125.034,1033 125.081,1034 140.69,1035 54.67,1036 359.199,1037 122.146,1038 5.335,1039 6.011,1040 6.635,1041 5.283,1042 5.215,1043 6.54,1044 4.447,1045 18.869,1046 5.094,1047 77.446,1048 1.518,1049 1.608,1050 1.609,1051 1.488,1052 1.489,1053 1.675,1054 0.651,1055 4.276,1056 1.454,1057 4.037,1058 4.081,1059 3.953,1060 3.903,1061 7.456,1062 3.904,1063 3.915,1064 3.956,1065 3.839,1066 3.782,1067 7.435,1068 3.787,1069 3.864,1070 3.906,1071 3.783,1072 3.711,1073 7.433,1074 3.723,1075 3.853,1076 3.892,1077 3.772,1078 3.683,1079 7.43,1080 3.692,1081 3.829,1082 3.876,1083 3.749,1084 3.66,1085 7.43,1086 3.668,1087 3.797,1088 3.846,1089 3.707,1090 3.611,1091 7.427,1092 3.629,1093 3.753,1094 3.799,1095 3.65,1096 3.598,1097 7.426,1098 3.598,1099 3.705,1100 3.754,1101 3.608,1102 3.543,1103 7.424,1104 3.541,1105 0.052,1106 0.048,1107 0.081,1108 0.05,1109 0.038,1110 4.336,1111 0.042,1112 4.011,1113 0.031,1114 6.833,1115 0.133,1116 4.179,1117 0.037,1118 3.215,1119 3.54,1120 2.581,1121 11.19,1122 3.094,1123 1.929,1124 1.899,1125 2.058,1126 2.038,1127 1.363,1128 2.041,1129 1.829,1130 1.782,1131 2.031,1132 2.024,1133 1.316,1134 2.019,1135 1.805,1136 1.761,1137 2.016,1138 1.998,1139 1.267,1140 1.997,1141 1.785,1142 1.737,1143 1.997,1144 1.979,1145 1.262,1146 1.983,1147 1.741,1148 1.696,1149 1.966,1150 1.952,1151 1.228,1152 1.944,1153 1.732,1154 1.682,1155 1.94,1156 1.917,1157 1.215,1158 1.931,1159 1.684,1160 1.63,1161 1.914,1162 1.886,1163 1.2,1164 1.887,1165 1.671,1166 1.627,1167 1.858,1168 1.866,1169 1.133,1170 1.873,1171 5.13,1173 6.457,1174 2.398,1175 7.941,1176 4.595,1177 9.501,1178 6.605,1179 11.105,1180 25.804,1183 5.546,1184 22.254,1185 -0.193,1186 12.578,1187 16.283,1189 -17.767,1190 4.228,1192 101.282,1193 274.252,1194 589.318,1195 911.805,1196 1077.44,1197 1156.6,1198 1180.6,1199 1119.21,1200 8.422,1201 351.81,1202 351.81,1203 11,1204 13.413,1205 4.17,1206 3.907,1207 385.518,1208 789,1209 712,1210 0.226,1211 636.444,1212 1179.02,1213 1544.68,1214 66187,1216 63.324,1217 0.763,1218 0.619,1219 63.324,1220 51.387,1221 38.623,1222 0.46,1223 0.34,1224 28.06,1225 36.71,1226 26.853,1227 22.664,1228 38.623,1229 28.546,1230 36.392,1231 0.311,1232 0.202,1233 36.392,1234 23.677,1235 26.282,1236 0.188,1237 0.101,1238 26.282,1239 14.099,1240 21.235,1241 0.126,1242 0.058,1243 21.235,1244 9.782,1245 14.403,1246 0.08,1247 0.03,1248 14.403,1249 5.442,1250 0.37,1251 246.224,1252 0.142,1253 63.95,1254 0.583,1255 402,1256 1360.51,1257 460.396,1258 1257.91,1259 1606.09,1260 1156,1261 458,1262 1079.27,1263 516.493,1264 1074.76,1265 1559.39,1266 999,1267 5.301} {0 CHEMBL568553,1 1.534,2 26.512,3 4.132,4 17.071,5 308.255,6 6.567,7 0.071,8 5.239,9 5.375,10 4.644,11 4.641,12 6.319,13 4.612,14 5.838,15 6.044,16 5.02,17 5.039,18 6.887,19 4.982,20 6.174,21 6.39,22 5.206,23 5.263,24 7.284,25 5.191,26 6.37,27 6.61,28 5.347,29 5.339,30 7.539,31 5.294,32 6.393,33 6.591,34 5.424,35 5.402,36 7.797,37 5.367,38 6.481,39 6.707,40 5.431,41 5.536,42 7.622,43 5.457,44 6.6,45 6.833,46 5.527,47 5.626,48 7.765,49 5.547,50 6.688,51 6.923,52 5.482,53 5.663,54 7.908,55 5.561,56 0.196,57 2.436,58 43.015,59 16.456,60 48.599,61 23.505,62 1.388,63 3.726,64 81.218,65 26.001,66 183.475,67 39.227,68 2.426,69 4.689,70 116.041,71 34.292,72 313.569,73 51.654,74 2.785,75 5.129,76 143.359,77 36.399,78 438.906,79 57.131,80 4.609,81 5.429,82 149.735,83 37.242,84 790.893,85 56.753,86 3.395,87 6.112,88 158.584,89 45.703,90 533.669,91 68.828,92 3.305,93 6.719,94 178.136,95 50.643,96 577.955,97 77.28,98 4.964,99 7.054,100 197.272,101 52.826,102 837.421,103 81.403,104 1051,105 118,106 0.201,107 0.433,108 0.673,109 0.798,110 0.857,111 0.875,112 4.444,113 1.026,114 -0.22,115 -0.36,116 -0.53,117 32.6,118 12,119 8,120 5,122 4,123 1,125 12,135 5,136 1,145 11,148 1,149 1,150 1,154 21,156 5,157 8,159 1,160 6,162 8,163 17,165 1,166 9,167 20,169 6,170 5,171 9,174 6,178 29,181 3,182 3,183 9,185 1,186 2,189 13,190 25,191 1,192 9,193 2,194 11,196 1,197 11,200 7,201 26,203 1,204 8,205 2,206 10,208 19,211 1,212 33,215 5,216 3,217 15,219 1,220 25,222 2,223 9,224 24,226 7,227 4,228 15,230 1,231 20,233 3,235 4,236 23,238 1,239 8,240 1,241 16,243 21,245 4,246 26356,247 52.862,248 52.862,249 52.862,250 52.862,251 52.862,252 50.627,253 53.05,254 30.695,255 53.647,256 41.555,257 41.555,258 41.555,259 41.555,260 41.555,261 37.593,262 51.43,263 14.156,264 42.611,265 5.966,266 4.202,267 2.376,268 1.421,269 0.973,270 0.84,271 5.103,276 4466,277 10.124,279 353.755,280 415.708,285 4.214,286 182.432,288 0.25,289 0.33,290 0.33,291 0.6,292 1,293 0.17,295 0.38,296 188.5,297 2227,298 4.339,299 4.012,300 6.836,301 4.183,302 3.218,303 3.542,304 2.581,305 11.205,306 3.098,307 4.2,308 3.991,309 6.622,310 4.045,311 3.085,312 3.392,313 2.474,314 10.323,315 2.954,316 4.139,317 3.869,318 6.498,319 3.983,320 3.009,321 3.349,322 2.421,323 9.985,324 2.924,325 4.127,326 3.865,327 6.432,328 3.974,329 3,330 3.293,331 2.028,332 9.784,333 2.914,334 4.061,335 3.809,336 6.355,337 3.914,338 2.941,339 3.279,340 2.012,341 9.512,342 2.853,343 4.029,344 3.773,345 6.268,346 3.868,347 2.896,348 3.201,349 1.976,350 9.289,351 2.805,352 3.937,353 3.704,354 6.2,355 3.803,356 2.827,357 3.16,358 1.972,359 9.097,360 2.748,361 3.895,362 3.646,363 6.054,364 3.722,365 2.741,366 3.061,367 1.938,368 8.684,369 2.68,370 3.835,371 3.604,372 5.977,373 3.609,374 2.614,375 2.943,376 1.918,377 8.272,378 2.595,379 3.744,380 3.545,381 5.876,382 3.589,383 2.595,384 2.893,385 1.889,386 8.103,387 2.574,388 3.696,389 3.483,390 5.389,391 3.387,392 2.391,393 2.84,394 1.886,395 6.883,396 2.374,397 3.513,398 2.891,399 5.255,400 3.255,401 2.245,402 2.656,403 0.85,404 6.19,405 2.258,406 3.413,407 2.804,408 5.044,409 3.112,410 2.088,411 2.504,412 0.713,413 5.976,414 2.124,415 3.201,416 2.796,417 4.782,418 3.071,419 2.069,420 2.239,421 0.626,422 5.097,423 2.072,424 3.164,425 2.604,426 4.763,427 3.018,428 2.061,429 2.189,430 0.553,431 5.072,432 1.958,433 38.433,434 0.458,435 2.925,436 0.035,437 74.75,438 0.89,439 22.5,440 0.268,441 52.25,442 0.622,443 156.476,444 1.863,445 103.767,446 0.573,447 108.502,448 1.292,449 13.981,450 0.166,451 25.18,452 0.3,453 0.331,455 0.408,459 0.758,460 1.676,461 0.939,462 1.46,463 0.643,464 1.257,465 0.666,466 1.287,467 0.861,468 1.162,469 0.543,470 1.059,471 0.939,472 1.173,473 1.031,474 1.173,475 0.986,476 1.127,477 1.283,478 1.037,479 0.931,480 0.924,481 1.199,482 0.854,483 1.481,484 1.025,485 1.213,486 0.965,487 1.421,488 1.019,489 1.122,490 1.043,491 1.064,492 1.042,493 1.219,494 1.04,495 1.11,496 1.135,497 1.008,498 1.086,499 1.114,500 1.033,501 1.231,502 1.034,503 1.2,504 1.047,505 1.216,506 1.107,507 22,508 1.124,509 11.111,510 8.118,511 6.321,512 3.809,513 3.824,514 2.457,515 1.767,516 1.762,517 183910,518 498734,519 1.822,520 53.6,521 35,522 31,525 9,526 4,527 18,529 1.964,530 1.626,531 4.611,532 4.488,535 277.675,536 1.534,537 3.298,538 5.124,539 6.079,540 6.527,541 6.66,542 4.086,543 5.922,544 6.367,545 4.895,546 17064.2,547 11.493,548 537160,552 1357.47,553 1.567,554 6.256,555 0.259,556 0.007,557 0.094,558 0.061,559 0.041,560 0.023,561 0.023,562 0.013,563 0.011,564 0.011,565 0.542,566 0.17,567 0.5,568 3.117,569 587.734,570 -0.057,571 -0.199,572 0.014,573 -0.091,574 -0.059,575 -0.031,576 0.143,577 -0.05,578 0.111,579 -0.008,580 0.085,581 0.037,582 0.073,583 -0.029,584 -0.024,585 -0.095,586 -0.051,587 -0.087,588 -0.086,589 -0.025,590 0.11,591 0.046,592 -0.04,593 0.115,594 -0.019,595 0.062,596 -0.115,597 0.027,598 0.072,599 -0.053,600 -0.038,601 0.041,602 -0.047,603 0.004,604 -0.081,605 -0.022,606 -0.049,607 -0.083,608 0.001,609 -0.046,610 -0.016,611 -0.016,612 -0.063,613 -0.002,614 -0.167,615 -0.053,616 -0.029,617 -0.124,618 3.008,619 7.247,620 0.131,621 179.495,622 1.006,623 1.144,624 -1.008,625 1.016,626 0.601,627 4.454,628 4.779,629 4.963,630 5.153,631 5.22,632 5.252,633 5.357,634 5.323,635 5.352,636 5.366,637 15.652,638 0.568,639 1188.65,640 4.454,641 6.009,642 6.832,643 7.705,644 8.55,645 9.423,646 10.278,647 11.151,648 12.011,649 12.884,650 5,653 1,657 8,662 5,666 1,667 6,676 181,677 17,678 1,679 85,680 182,681 59,682 6,683 1,684 5,686 2,687 2,690 12,694 3,697 20,698 17,699 42,700 5,701 11,704 11,708 11,713 97,714 25,715 9,716 25,719 9,721 1,722 16,724 2,729 1,731 1,732 1,739 1,740 5,741 2,743 3,749 1,751 2,753 2,756 16,759 84,760 1,762 2,763 9,764 5,765 3,767 17,768 3,772 8.8,773 2,775 11,777 3,778 51.667,779 35.75,780 18.944,781 11.265,783 0.642,784 1.076,785 0.853,786 32.496,787 9.085,788 4.605,789 5.007,790 5.261,791 5.54,792 5.757,793 5.654,794 5.819,795 5.938,796 6.035,797 6.066,798 1,799 134,800 32.398,801 14.356,802 8.121,803 58.577,804 46.85,805 2.621,806 220.167,809 1035.86,810 274.135,811 132.324,813 394.961,816 274.135,817 1430.82,818 132.324,819 141.975,820 151.582,821 132.748,822 335.805,823 39.31,825 1035.86,827 1035.86,828 406.458,829 394.961,831 823.977,832 521.474,833 85.367,835 260.608,836 145.85,839 1035.86,840 527.284,841 274.135,844 1035.86,845 84.779,846 198.729,847 90.054,848 427.858,849 1035.86,850 527.284,851 274.135,852 0.585,853 0.333,854 0.175,855 0.088,856 38,857 32,858 0.203,859 37,861 1,862 7.158,863 1026.36,865 11,866 516.955,870 75.203,871 36.297,872 24.069,874 527.284,875 8.928,879 0.722,880 208.318,881 1837.28,882 99,885 150.176,889 -9.088,891 182.031,892 207.104,893 0.205,894 0.44,895 0.683,896 0.81,897 0.87,898 0.888,899 5.893,900 2.741,901 6.855,902 9.097,903 5.468,904 5.697,905 4.472,906 7.673,907 5.419,908 7.06,909 2.614,910 8.44,911 8.684,912 5.263,913 5.585,914 4.073,915 8.643,916 5.202,917 8.343,918 2.595,919 10.123,920 8.272,921 7.081,922 7.532,923 5.737,924 11.709,925 6.974,926 9.647,927 2.391,928 11.86,929 8.103,930 7.616,931 8.135,932 5.999,933 13.452,934 7.49,935 10.979,936 2.245,937 13.632,938 6.883,939 8.978,940 9.645,941 7.217,942 16.062,943 8.809,944 12.329,945 2.088,946 15.427,947 6.19,948 9.83,949 10.541,950 7.778,951 18.129,952 9.632,953 13.692,954 2.069,955 17.239,956 5.976,957 11.029,958 11.901,959 8.822,960 20.573,961 10.791,962 3.218,963 2.061,964 19.065,965 5.097,966 12.022,967 12.926,968 9.541,969 22.786,970 11.75,971 3.085,972 11.205,973 20.9,974 5.072,975 13.161,976 14.228,977 10.51,978 25.169,979 12.851,980 3.009,981 10.323,982 22.744,983 3.542,984 14.219,985 15.317,986 11.318,987 27.454,988 13.871,989 3,990 9.985,991 24.594,992 3.392,993 15.338,994 16.594,995 12.256,996 29.817,997 14.952,998 2.941,999 9.784,1000 26.449,1001 3.349,1002 16.426,1003 17.719,1004 13.114,1005 32.14,1006 16.002,1007 2.896,1008 9.512,1009 28.308,1010 3.293,1011 17.541,1012 18.984,1013 14.04,1014 34.501,1015 17.079,1016 2.827,1017 9.289,1018 30.172,1019 3.279,1020 18.645,1021 20.133,1022 14.927,1023 36.847,1024 18.144,1025 185993,1026 306742,1027 50.405,1028 108.825,1029 128.467,1030 135.989,1031 136.599,1032 126.066,1033 126.106,1034 141.699,1035 54.67,1036 361.872,1037 123.176,1038 5.338,1039 6.012,1040 6.638,1041 5.286,1042 5.218,1043 6.542,1044 4.447,1045 18.898,1046 5.098,1047 77.999,1048 1.511,1049 1.6,1050 1.607,1051 1.483,1052 1.484,1053 1.667,1054 0.643,1055 4.257,1056 1.449,1057 4.04,1058 4.084,1059 3.956,1060 3.905,1061 7.456,1062 3.906,1063 3.915,1064 3.956,1065 3.839,1066 3.783,1067 7.435,1068 3.788,1069 3.864,1070 3.906,1071 3.783,1072 3.712,1073 7.433,1074 3.723,1075 3.853,1076 3.892,1077 3.773,1078 3.684,1079 7.43,1080 3.692,1081 3.832,1082 3.878,1083 3.752,1084 3.661,1085 7.43,1086 3.669,1087 3.804,1088 3.853,1089 3.71,1090 3.627,1091 7.427,1092 3.641,1093 3.754,1094 3.8,1095 3.653,1096 3.599,1097 7.426,1098 3.599,1099 3.711,1100 3.76,1101 3.611,1102 3.544,1103 7.424,1104 3.545,1105 0.051,1106 0.047,1107 0.08,1108 0.049,1109 0.038,1110 4.339,1111 0.042,1112 4.012,1113 0.03,1114 6.836,1115 0.132,1116 4.183,1117 0.036,1118 3.218,1119 3.542,1120 2.581,1121 11.205,1122 3.098,1123 1.929,1124 1.899,1125 2.058,1126 2.04,1127 1.363,1128 2.043,1129 1.829,1130 1.782,1131 2.031,1132 2.024,1133 1.316,1134 2.019,1135 1.805,1136 1.761,1137 2.016,1138 1.999,1139 1.268,1140 1.997,1141 1.785,1142 1.737,1143 1.997,1144 1.98,1145 1.267,1146 1.983,1147 1.759,1148 1.712,1149 1.966,1150 1.958,1151 1.228,1152 1.956,1153 1.732,1154 1.683,1155 1.944,1156 1.917,1157 1.215,1158 1.931,1159 1.684,1160 1.631,1161 1.94,1162 1.888,1163 1.2,1164 1.887,1165 1.673,1166 1.627,1167 1.874,1168 1.866,1169 1.18,1170 1.879,1171 5.142,1173 6.466,1174 2.398,1175 7.95,1176 4.595,1177 9.511,1178 6.605,1179 11.116,1180 26.109,1183 5.555,1184 22.365,1185 -0.166,1186 12.704,1187 16.309,1189 -17.717,1190 4.27,1192 102.809,1193 277.675,1194 596.9,1195 927.377,1196 1100.23,1197 1181.39,1198 1205.39,1199 1145.84,1200 8.443,1201 351.81,1202 351.81,1203 11,1204 13.428,1205 4.17,1206 3.907,1207 393.565,1208 799,1209 722,1210 0.228,1211 646.037,1212 1196.32,1213 1568.09,1214 67448,1216 64.032,1217 0.762,1218 0.62,1219 64.032,1220 52.095,1221 39.161,1222 0.461,1223 0.342,1224 28.598,1225 37.252,1226 27.39,1227 23.126,1228 39.161,1229 29.084,1230 36.583,1231 0.31,1232 0.203,1233 36.583,1234 23.917,1235 26.583,1236 0.187,1237 0.101,1238 26.583,1239 14.393,1240 21.576,1241 0.125,1242 0.058,1243 21.576,1244 9.957,1245 14.787,1246 0.08,1247 0.031,1248 14.787,1249 5.634,1250 0.373,1251 249.452,1252 0.141,1253 64.438,1254 0.59,1255 406,1256 1364.51,1257 464.396,1258 1261.87,1259 1612.39,1260 1160,1261 463,1262 1084.27,1263 521.659,1264 1079.57,1265 1567.81,1266 1004,1267 9.451} {0 CHEMBL569445,1 1.521,2 22.671,3 3.064,4 9.386,5 260.636,6 6.496,7 0.085,8 5.062,9 5.202,10 4.458,11 4.479,12 6.129,13 4.443,14 5.659,15 5.87,16 4.819,17 4.882,18 6.677,19 4.812,20 6,21 6.228,22 4.997,23 5.104,24 7.088,25 5.017,26 6.182,27 6.423,28 5.107,29 5.181,30 7.303,31 5.111,32 6.244,33 6.48,34 5.207,35 5.236,36 7.529,37 5.176,38 6.287,39 6.518,40 5.23,41 5.338,42 7.458,43 5.258,44 6.384,45 6.617,46 5.267,47 5.411,48 7.554,49 5.32,50 6.462,51 6.716,52 5.261,53 5.44,54 7.615,55 5.332,56 0.131,57 2.074,58 36.281,59 13.852,60 38.766,61 19.969,62 0.981,63 3.194,64 67.677,65 22.191,66 133.122,67 33.606,68 1.724,69 4.016,70 96.874,71 29.423,72 253.483,73 44.485,74 1.889,75 4.426,76 117.517,77 31.101,78 350.006,79 49.049,80 3.261,81 4.716,82 127.343,83 31.707,84 552.897,85 50.324,86 2.624,87 5.069,88 130.652,89 37.249,90 424.192,91 56.513,92 2.485,93 5.444,94 143.32,95 41.017,96 501.513,97 62.605,98 3.431,99 5.686,100 156.031,101 42.691,102 588.94,103 66.342,104 625,105 97,106 0.206,107 0.448,108 0.708,109 0.831,110 0.871,111 0.893,112 4.264,113 1.041,114 -0.73,115 -0.85,116 -0.97,117 32.9,118 8,119 10,120 4,122 3,123 2,125 8,135 5,136 1,145 9,148 1,149 1,150 1,154 21,156 4,157 6,159 1,160 5,162 7,163 18,165 1,166 5,167 12,169 7,170 3,171 12,174 8,176 1,178 20,181 1,182 1,183 12,186 3,189 11,190 24,191 1,192 5,193 1,194 9,197 9,200 3,201 22,203 1,204 10,205 2,206 7,207 1,208 11,211 2,212 24,214 1,215 3,216 1,217 11,220 17,223 8,224 21,226 5,227 2,228 16,230 1,231 19,233 2,236 17,239 6,240 3,241 13,242 1,243 18,245 3,246 15510,247 44.733,248 44.733,249 44.733,250 44.733,251 44.733,252 42.758,253 44.765,254 26.105,255 45.27,256 34.578,257 34.578,258 34.578,259 34.578,260 34.578,261 31.094,262 43.785,263 11.996,264 35.238,265 5.727,266 3.944,267 2.03,268 1.129,269 0.831,270 0.673,271 4.925,276 3185,277 9.028,279 287.916,280 337.679,285 3.357,286 143.236,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 156,297 1587,298 4.321,299 3.998,300 6.816,301 4.165,302 3.202,303 3.53,304 2.474,305 11.142,306 3.078,307 4.247,308 3.938,309 6.657,310 4.091,311 3.12,312 3.406,313 2.033,314 10.504,315 3.021,316 4.095,317 3.815,318 6.403,319 3.96,320 2.974,321 3.383,322 2.028,323 9.702,324 2.926,325 4.029,326 3.768,327 6.376,328 3.887,329 2.907,330 3.241,331 1.99,332 9.572,333 2.841,334 4.016,335 3.764,336 6.274,337 3.843,338 2.878,339 3.169,340 1.976,341 9.152,342 2.769,343 3.892,344 3.632,345 6.113,346 3.787,347 2.814,348 3.122,349 1.938,350 8.841,351 2.734,352 3.854,353 3.599,354 5.941,355 3.589,356 2.596,357 2.997,358 1.926,359 8.203,360 2.573,361 3.728,362 3.541,363 5.647,364 3.487,365 2.489,366 2.851,367 1.889,368 7.188,369 2.478,370 3.627,371 3.51,372 5.361,373 3.315,374 2.315,375 2.796,376 1.886,377 6.844,378 2.301,379 3.536,380 2.898,381 5.117,382 3.263,383 2.253,384 2.696,385 0.713,386 6.143,387 2.266,388 3.469,389 2.792,390 5.021,391 3.216,392 2.192,393 2.548,394 0.635,395 5.663,396 2.229,397 3.23,398 2.568,399 4.956,400 3.117,401 2.113,402 2.249,403 0.553,404 5.337,405 2.114,406 3.156,407 2.555,408 4.841,409 2.983,410 1.992,411 2.188,412 0.359,413 5.157,414 1.969,415 3.117,416 2.493,417 4.801,418 2.978,419 1.984,420 2.132,421 0.315,422 5.088,423 1.964,424 3.068,425 2.46,426 4.66,427 2.937,428 1.933,429 2.128,430 0.263,431 4.963,432 1.928,433 32.2,434 0.46,435 2.211,436 0.032,437 62.75,438 0.896,439 19.5,440 0.279,441 43.25,442 0.618,443 120.61,444 1.723,445 86,446 0.566,447 82.609,448 1.18,449 11.611,450 0.166,451 21.263,452 0.304,453 0.297,455 0.379,459 0.75,460 1.65,461 0.956,462 1.422,463 0.64,464 1.246,465 0.635,466 1.299,467 0.894,468 1.179,469 0.549,470 1.093,471 0.902,472 1.129,473 1.016,474 1.139,475 0.957,476 1.103,477 1.277,478 1.155,479 1.012,480 1.022,481 1.284,482 0.967,483 1.261,484 0.96,485 1.063,486 0.881,487 1.218,488 0.913,489 1.168,490 1.009,491 1.071,492 1.018,493 1.209,494 1.022,495 1.202,496 1.156,497 1.082,498 1.113,499 1.263,500 1.081,501 1.126,502 0.968,503 1.057,504 0.959,505 1.101,506 0.989,507 17,508 0.963,509 9.778,510 5.993,511 4.961,512 3.365,513 2.518,514 2.163,515 1.369,516 1.252,517 109108,518 290806,519 1.841,520 53.9,521 30,522 26,525 8,526 4,527 14,529 1.928,530 1.654,531 4.386,532 3.934,535 231.153,536 1.521,537 3.304,538 5.218,539 6.119,540 6.417,541 6.575,542 3.802,543 5.901,544 6.105,545 4.639,546 11203.8,547 10.979,548 304949,552 1101.69,553 1.583,554 6.003,555 0.239,556 0.008,557 0.101,558 0.054,559 0.041,560 0.025,561 0.018,562 0.015,563 0.01,564 0.01,565 0.521,566 0.17,567 0.5,568 3.033,569 466.163,570 -0.059,571 -0.181,572 0.01,573 -0.065,574 -0.053,575 -0.021,576 0.131,577 -0.056,578 0.076,579 -0.022,580 0.068,581 0.008,582 0.06,583 0.004,584 -0.016,585 -0.067,586 -0.024,587 -0.062,588 -0.116,589 -0.12,590 0.02,591 -0.029,592 -0.101,593 0.018,594 0.022,595 0.094,597 0.071,598 0.066,599 0.04,600 -0.033,601 0.069,602 -0.042,603 0.007,604 -0.039,605 -0.017,606 -0.076,607 -0.11,608 -0.062,609 -0.077,610 -0.051,611 -0.068,612 -0.012,613 0.034,614 -0.038,615 0.018,616 0.003,617 -0.012,618 2.83,619 7.129,620 0.157,621 125.935,622 1.003,623 1.144,624 -0.498,625 0.248,626 0.603,627 4.277,628 4.585,629 4.779,630 4.934,631 5.043,632 5.075,633 5.124,634 5.17,635 5.147,636 5.147,637 13.315,638 0.567,639 987.4,640 4.277,641 5.82,642 6.642,643 7.505,644 8.351,645 9.217,646 10.073,647 10.941,648 11.803,649 12.673,650 5.3,657 8,662 5,666 1,667 6,676 152,677 15,678 1,679 71,680 153,681 50,682 6,683 1,684 5,686 2,687 2,690 8,694 3,697 18,698 15,699 35,700 4,701 9,704 9,708 9,713 82,714 20,715 8,716 20,719 8,721 1,722 12,724 2,729 1,731 1,732 1,739 1,740 4,741 3,743 1,751 2,753 2,756 11,759 70,760 1,762 2,763 12,764 4,765 1,767 12,768 3,772 7.9,773 2,775 9,777 1,778 42.333,779 29.167,780 16,781 9.636,783 0.69,784 1.085,785 0.86,786 27.171,787 8.815,788 4.431,789 4.824,790 5.092,791 5.331,792 5.6,793 5.527,794 5.634,795 5.81,796 5.885,797 5.905,798 0.933,799 110,800 26.843,801 11.73,802 8.088,803 49.154,804 39.498,805 2.588,806 181.167,809 871.062,810 223.23,811 114.313,813 322.671,816 223.23,817 1193.73,818 114.313,819 98.277,820 143.87,821 132.748,822 271.133,823 14.185,825 871.062,827 871.062,828 337.543,829 322.671,831 706.266,832 402.1,833 85.367,835 214.471,836 123.071,839 871.062,840 436.984,841 223.23,844 871.062,845 77.571,846 155.032,847 72.043,848 355.568,849 871.062,850 436.984,851 223.23,852 0.58,853 0.334,854 0.166,855 0.088,856 31,857 25,858 0.196,859 30,861 1,862 6.429,863 799.086,865 11,866 421.05,870 61.989,871 30.682,872 19.78,874 436.984,875 9.072,879 0.771,880 190.307,881 1531.28,882 83,885 120.913,889 -5.879,891 152.435,892 173.862,893 0.21,894 0.456,895 0.72,896 0.844,897 0.885,898 0.907,899 5.705,900 2.489,901 6.653,902 8.203,903 5.273,904 5.513,905 4.181,906 7.458,907 5.235,908 6.863,909 2.315,910 8.23,911 7.188,912 5.017,913 5.359,914 3.735,915 8.405,916 4.968,917 8.141,918 2.253,919 9.907,920 6.844,921 6.874,922 7.351,923 5.336,924 11.48,925 6.787,926 9.443,927 2.192,928 11.64,929 6.143,930 7.385,931 7.928,932 5.529,933 13.214,934 7.275,935 10.773,936 2.113,937 13.408,938 5.663,939 8.76,940 9.464,941 6.683,942 15.839,943 8.615,944 12.121,945 1.992,946 15.201,947 5.337,948 9.599,949 10.339,950 7.167,951 17.904,952 9.423,953 13.483,954 1.984,955 17.013,956 5.157,957 10.805,958 11.721,959 8.141,960 20.366,961 10.594,962 3.202,963 1.933,964 18.838,965 5.088,966 11.793,967 12.73,968 8.786,969 22.584,970 11.547,971 3.12,972 11.142,973 20.674,974 4.963,975 12.937,976 14.052,977 9.686,978 24.983,979 12.656,980 2.974,981 10.504,982 22.518,983 3.53,984 13.995,985 15.128,986 10.427,987 27.275,988 13.677,989 2.907,990 9.702,991 24.37,992 3.406,993 15.118,994 16.424,995 11.301,996 29.653,997 14.765,998 2.878,999 9.572,1000 26.227,1001 3.383,1002 16.21,1003 17.54,1004 12.102,1005 31.984,1006 15.819,1007 2.814,1008 9.152,1009 28.089,1010 3.241,1011 17.329,1012 18.821,1013 12.972,1014 34.356,1015 16.903,1016 2.596,1017 8.841,1018 29.956,1019 3.169,1020 18.438,1021 19.965,1022 13.81,1023 36.709,1024 17.974,1025 110569,1026 180818,1027 42.715,1028 91.671,1029 105.645,1030 112.628,1031 113.111,1032 103.743,1033 103.75,1034 117.238,1035 42.564,1036 294.854,1037 101.951,1038 5.32,1039 5.998,1040 6.618,1041 5.225,1042 5.202,1043 6.53,1044 4.216,1045 18.731,1046 5.078,1047 60.547,1048 1.488,1049 1.586,1050 1.593,1051 1.461,1052 1.461,1053 1.651,1054 0.599,1055 4.153,1056 1.436,1057 4.024,1058 4.07,1059 3.941,1060 3.898,1061 7.45,1062 3.898,1063 3.916,1064 3.96,1065 3.838,1066 3.783,1067 7.434,1068 3.788,1069 3.865,1070 3.906,1071 3.783,1072 3.713,1073 7.431,1074 3.724,1075 3.85,1076 3.897,1077 3.764,1078 3.689,1079 7.43,1080 3.695,1081 3.81,1082 3.86,1083 3.71,1084 3.659,1085 7.427,1086 3.659,1087 3.757,1088 3.809,1089 3.643,1090 3.616,1091 7.427,1092 3.611,1093 3.707,1094 3.765,1095 3.599,1096 3.567,1097 7.424,1098 3.559,1099 3.69,1100 3.743,1101 3.568,1102 3.492,1103 7.422,1104 3.511,1105 0.061,1106 0.056,1107 0.096,1108 0.059,1109 0.045,1110 4.321,1111 0.05,1112 3.998,1113 0.035,1114 6.816,1115 0.157,1116 4.165,1117 0.043,1118 3.202,1119 3.53,1120 2.474,1121 11.142,1122 3.078,1123 1.928,1124 1.898,1125 2.058,1126 2.038,1127 1.366,1128 2.041,1129 1.84,1130 1.793,1131 2.035,1132 2.031,1133 1.325,1134 2.029,1135 1.813,1136 1.765,1137 2.021,1138 1.999,1139 1.319,1140 2.002,1141 1.787,1142 1.735,1143 2.008,1144 1.965,1145 1.288,1146 1.977,1147 1.75,1148 1.697,1149 1.989,1150 1.923,1151 1.26,1152 1.944,1153 1.705,1154 1.65,1155 1.925,1156 1.891,1157 1.235,1158 1.907,1159 1.68,1160 1.638,1161 1.858,1162 1.884,1163 1.215,1164 1.878,1165 1.61,1166 1.561,1167 1.836,1168 1.816,1169 1.058,1170 1.816,1171 4.963,1173 6.275,1174 2.398,1175 7.752,1176 4.595,1177 9.307,1178 6.605,1179 10.906,1180 18.475,1183 5.462,1184 22.105,1185 1.171,1186 10.698,1187 4.94,1189 -10.344,1190 3.784,1192 86.24,1193 231.153,1194 502.168,1195 793.085,1196 930.097,1197 975.381,1198 999.381,1199 790.631,1200 8.124,1201 287.18,1202 287.18,1203 11,1204 13.218,1205 4,1206 3.7,1207 286.471,1208 572,1209 538,1210 0.235,1211 542.781,1212 999.74,1213 1316.15,1214 42734,1216 52.99,1217 0.757,1218 0.617,1219 52.99,1220 43.196,1221 32.875,1222 0.463,1223 0.347,1224 24.273,1225 31.404,1226 23.364,1227 19.658,1228 32.875,1229 24.648,1230 29.704,1231 0.306,1232 0.202,1233 29.704,1234 19.579,1235 23.083,1236 0.196,1237 0.111,1238 23.083,1239 13.12,1240 16.839,1241 0.122,1242 0.061,1243 16.839,1244 8.378,1245 12.314,1246 0.08,1247 0.033,1248 12.314,1249 5.132,1250 0.382,1251 208.462,1252 0.153,1253 55.952,1254 0.615,1255 336,1256 1085.23,1257 379.611,1258 1011.49,1259 1292.41,1260 930,1261 383,1262 865.072,1263 426.483,1264 864.601,1265 1250.11,1266 806,1267 7.368} {0 CHEMBL589369,1 1.43,2 13.289,3 4.941,4 24.41,5 149.278,6 6.724,7 0.439,8 4.41,9 4.533,10 3.878,11 3.929,12 5.434,13 3.89,14 4.972,15 5.155,16 4.211,17 4.315,18 5.956,19 4.248,20 5.277,21 5.494,22 4.308,23 4.49,24 6.241,25 4.395,26 5.4,27 5.642,28 4.327,29 4.534,30 6.32,31 4.427,32 5.437,33 5.666,34 4.403,35 4.582,36 6.482,37 4.479,38 5.469,39 5.697,40 4.417,41 4.646,42 6.447,43 4.533,44 5.576,45 5.825,46 4.488,47 4.686,48 6.531,49 4.577,50 5.539,51 5.778,52 4.435,53 4.653,54 6.523,55 4.538,56 0.066,57 1.059,58 17.743,59 7.563,60 13.772,61 10.212,62 0.33,63 1.702,64 32.636,65 12.394,66 38.358,67 17.244,68 0.527,69 2.17,70 45.397,71 16.087,72 67.157,73 22.757,74 0.539,75 2.369,76 51.898,77 17.807,78 71.536,79 25.455,80 1.014,81 2.45,82 54.379,83 18.44,84 121.081,85 26.175,86 0.57,87 2.598,88 55.004,89 19.602,90 88.599,91 27.968,92 0.779,93 2.776,94 62.315,95 21.086,96 103.223,97 30.31,98 0.938,99 2.672,100 60.205,101 20.399,102 110.755,103 29.105,104 27,105 55,106 0.22,107 0.558,108 0.789,109 0.859,110 0.885,111 0.893,112 3.668,113 0.987,114 -4.81,115 -4.72,116 -4.43,117 40.3,118 3,119 3,120 1,123 4,125 2,135 10,136 4,137 1,139 1,140 1,145 1,154 17,156 1,157 9,160 1,162 3,163 19,167 8,170 2,171 6,174 13,178 6,182 1,183 6,186 11,189 3,190 3,192 3,194 9,197 11,201 2,204 2,206 12,208 12,211 1,212 7,215 1,217 9,220 13,223 1,224 7,226 3,228 7,231 11,236 8,239 2,241 6,243 17,246 3124,247 25.515,248 25.515,249 25.515,250 25.515,251 25.515,252 23.252,253 34.136,254 15.407,255 25.981,256 20.289,257 20.289,258 20.289,259 20.289,260 20.289,261 16.74,262 39.126,263 7.406,264 21.037,265 4.837,266 2.642,267 1.146,268 0.689,269 0.523,270 0.471,271 4.363,275 1,276 1076,277 3.674,280 272.489,285 1.921,286 39.835,288 0.75,289 0.83,290 0.83,291 0.9,292 1,293 0.83,294 1,295 0.88,296 81.5,297 505,298 4.292,299 3.588,300 6.196,301 3.945,302 2.965,303 3.918,304 1.058,305 9.24,306 2.906,307 4.14,308 3.062,309 5.987,310 3.817,311 2.821,312 3.716,313 0.86,314 8.595,315 2.814,316 4.095,317 3.038,318 5.975,319 3.775,320 2.802,321 3.677,322 0.86,323 8.463,324 2.728,325 3.829,326 2.942,327 5.564,328 3.565,329 2.611,330 3.079,331 0.657,332 7.591,333 2.487,334 3.615,335 2.867,336 5.374,337 3.306,338 2.346,339 2.781,341 6.895,342 2.278,343 3.52,344 2.604,345 5.239,346 3.27,347 2.286,348 2.747,350 6.528,351 2.21,352 3.325,353 2.441,354 4.973,355 3.023,356 2.074,357 2.558,359 5.881,360 1.954,361 3.304,362 2.391,363 4.788,364 2.949,365 2.006,366 2.5,368 5.4,369 1.878,370 2.802,371 1.869,372 4.296,373 2.656,374 1.682,375 1.874,377 4.055,378 1.634,379 2.757,380 1.752,381 3.872,382 2.493,383 1.536,384 1.818,386 3.471,387 1.467,388 2.709,389 1.72,390 3.779,391 2.348,392 1.364,393 1.742,395 3.14,396 1.337,397 2.662,398 1.503,399 3.771,400 2.234,401 1.253,402 1.693,404 2.893,405 1.223,406 2.41,407 1.43,408 3.497,409 2.078,410 1.092,411 1.359,413 2.593,414 1.069,415 2.311,416 1.217,417 3.437,418 2,419 1.006,420 1.269,422 2.324,423 1,424 2.134,425 1.177,426 3.288,427 1.936,428 1,429 1.108,431 2.2,432 0.926,433 18.033,434 0.475,435 0.89,436 0.023,437 44,438 1.158,439 20.5,440 0.539,441 23.5,442 0.618,443 41.624,444 1.095,445 42.567,446 0.553,447 37.611,448 0.99,449 8.413,450 0.221,451 9.955,452 0.262,453 0.12,455 0.305,459 0.87,460 1.289,461 0.905,462 1.161,463 0.8,464 1.053,465 0.973,466 1.151,467 0.964,468 1.077,469 0.718,470 1.026,471 1.143,472 1.104,473 1.055,474 1.062,475 1.015,476 1.047,477 1.175,478 1.047,479 1.006,480 1.012,481 1.215,482 0.987,483 1.124,484 1.002,485 1.04,486 0.978,487 1.126,488 0.996,489 1.033,490 1.163,491 1.072,492 1.141,493 1.285,494 1.114,495 1.119,496 0.989,497 0.957,498 0.957,499 1.261,500 0.934,501 1.155,502 1.031,503 1.055,504 1.019,505 1.182,506 1.022,507 8,508 0.186,509 3.111,510 2.313,511 2.058,512 1.278,513 0.937,514 0.618,515 0.625,516 0.304,517 22017,518 49495,519 2.053,520 50.6,521 7,522 20,525 3,526 3,527 6,529 1.793,530 1.932,531 3.68,532 0.712,535 110.077,536 1.43,537 3.625,538 5.121,539 5.578,540 5.744,541 5.796,542 3.097,543 4.827,544 5.223,545 3.866,546 2717.52,547 9.227,548 45444.1,552 482.543,553 1.359,554 5.183,555 0.195,556 0.005,557 0.057,558 0.04,559 0.035,560 0.021,561 0.015,562 0.009,563 0.01,564 0.006,565 0.392,566 0.17,567 0.88,568 0.661,569 210.528,570 -0.04,571 -0.058,572 0.041,573 -0.01,574 -0.083,575 0.022,576 0.026,577 -0.028,578 0.016,579 -0.017,580 0.05,581 -0.006,582 -0.04,583 -0.051,584 -0.057,585 -0.054,586 -0.034,587 -0.059,588 -0.068,589 -0.039,590 -0.002,591 -0.035,592 -0.089,593 -0.013,594 0.131,595 0.011,596 -0.02,598 0.139,599 -0.028,600 -0.02,601 -0.128,602 -0.084,603 -0.139,604 -0.034,605 -0.123,606 0.01,607 0.001,608 0.051,609 0.011,610 -0.012,611 0.035,612 0.052,613 -0.035,614 -0.041,615 -0.045,616 0.03,617 -0.054,618 2.144,619 6.308,620 0.737,621 39.053,622 0.994,623 1.127,624 3.578,625 12.803,626 0.643,627 3.738,628 4.025,629 4.22,630 4.431,631 4.635,632 4.654,633 4.754,634 4.812,635 4.949,636 5.043,637 7.992,638 0.603,639 517.73,640 3.738,641 5.263,642 6.08,643 6.93,644 7.763,645 8.615,646 9.453,647 10.306,648 11.148,649 12.001,650 3.9,652 1,657 1,660 1,662 10,663 1,666 7,667 18,668 1,674 2,676 77,677 19,678 2,679 41,680 80,681 31,682 17,683 4,684 8,685 1,686 4,687 7,690 3,694 4,697 5,698 18,699 13,700 1,701 1,704 1,708 1,713 39,714 7,715 3,716 7,719 3,721 0.5,722 4,724 1,728 1,732 3,748 1,751 1,753 2,756 3,759 38,762 1,763 7,764 2,765 2,767 3,772 5.2,773 1,775 1,777 2,778 19.667,779 14.233,780 8.417,781 4.806,783 3.058,784 1.366,785 0.932,786 10.165,787 11.412,788 3.951,789 4.472,790 4.943,791 5.434,792 5.907,793 5.924,794 6.1,795 6.128,796 6.369,797 6.602,798 0.889,799 58,800 14.192,801 5.968,802 7.654,803 27.4,804 22.357,805 2.154,806 81.833,809 423.76,810 172.5,811 52.807,813 89.828,816 172.5,817 513.588,818 52.807,819 26.476,820 39.011,821 155.457,822 46.635,823 42.742,824 4.815,825 423.76,827 423.76,828 225.307,829 89.828,831 353.133,832 117.771,833 42.683,835 86.254,836 122.267,837 16.786,839 423.76,840 142.635,841 172.5,844 423.76,845 51.261,846 121.238,847 36.022,848 106.614,849 423.76,850 142.635,851 172.5,852 0.574,853 0.321,854 0.169,855 0.095,856 23,857 11,858 0.075,859 6,860 4,861 1.214,862 4.689,863 362.768,864 0.286,865 26,866 197.421,870 28.095,871 13.748,872 8.548,874 142.635,875 19.714,876 4.408,879 5.803,880 78.705,881 738.894,882 51,885 13.308,889 -0.27,891 76.519,892 86.806,893 0.228,894 0.578,895 0.817,896 0.89,897 0.917,898 0.925,899 5.179,900 2.006,901 6.043,902 5.881,903 4.71,904 5.159,905 1.955,906 6.779,907 4.645,908 6.343,909 1.682,910 7.555,911 5.4,912 4.205,913 4.832,915 7.489,916 4.13,917 7.615,918 1.536,919 9.162,920 4.055,921 6.236,922 7.219,923 1.803,924 10.544,925 6.12,926 8.915,927 1.364,928 10.823,929 3.471,930 6.509,931 7.654,933 12.039,934 6.389,935 10.244,936 1.253,937 12.517,938 3.14,939 8.005,940 9.552,941 1.721,942 14.583,943 7.851,944 11.593,945 1.092,946 14.235,947 2.893,948 8.655,949 10.361,951 16.428,952 8.498,953 12.957,954 1.006,955 15.968,956 2.593,957 9.913,958 12.027,959 1.689,960 18.767,961 9.728,962 2.965,963 1,964 17.714,965 2.324,966 10.758,967 13.045,969 20.783,970 10.567,971 2.821,972 9.24,973 19.469,974 2.2,975 11.903,976 14.582,977 1.694,978 23.034,979 11.69,980 2.802,981 8.595,982 21.231,983 3.918,984 12.849,985 15.724,987 25.135,988 12.627,989 2.611,990 8.463,991 22.999,992 3.716,993 13.943,994 17.186,995 1.726,996 27.349,997 13.703,998 2.346,999 7.591,1000 24.772,1001 3.677,1002 14.942,1003 18.404,1005 29.495,1006 14.691,1007 2.286,1008 6.895,1009 26.549,1010 3.079,1011 16.014,1012 19.82,1013 1.777,1014 31.695,1015 15.745,1016 2.074,1017 6.528,1018 28.33,1019 2.781,1020 17.041,1021 21.085,1023 33.864,1024 16.76,1025 21056,1026 31790,1027 27.334,1028 49.54,1029 60.247,1030 61.75,1031 61.264,1032 59.823,1033 59.888,1034 74.107,1035 6.871,1036 163.674,1037 57.844,1038 5.238,1039 5.588,1040 6.021,1041 5.033,1042 4.965,1043 6.918,1044 2.117,1045 15.678,1046 4.906,1047 18.892,1048 1.469,1049 1.506,1050 1.494,1051 1.459,1052 1.461,1053 1.807,1054 0.168,1055 3.992,1056 1.411,1057 4.011,1058 4.045,1059 3.945,1060 3.926,1061 7.429,1062 3.923,1063 3.94,1064 3.97,1065 3.877,1066 3.87,1067 6.449,1068 3.868,1069 3.898,1070 3.923,1071 3.847,1072 3.8,1073 4.941,1074 3.81,1075 3.717,1076 3.768,1077 3.606,1078 3.54,1079 4.842,1080 3.545,1081 3.634,1082 3.695,1083 3.484,1084 3.487,1085 4.739,1086 3.477,1087 3.527,1088 3.596,1089 3.371,1090 3.395,1091 4.395,1092 3.378,1093 3.372,1094 3.445,1095 3.254,1096 3.153,1097 4.303,1098 3.162,1099 3.264,1100 3.302,1101 3.142,1102 3.061,1103 4.22,1104 3.057,1105 0.105,1106 0.088,1107 0.151,1108 0.096,1109 0.072,1110 4.292,1111 0.096,1112 3.588,1113 0.026,1114 6.196,1115 0.225,1116 3.945,1117 0.071,1118 2.965,1119 3.918,1120 1.058,1121 9.24,1122 2.906,1123 1.958,1124 1.929,1125 2.089,1126 2.059,1127 1.316,1128 2.066,1129 1.929,1130 1.904,1131 2.051,1132 2.034,1133 1.275,1134 2.043,1135 1.862,1136 1.837,1137 1.962,1138 1.986,1139 1.256,1140 1.98,1141 1.682,1142 1.629,1143 1.92,1144 1.889,1145 1.066,1146 1.897,1147 1.628,1148 1.57,1149 1.857,1150 1.812,1151 1.032,1152 1.833,1153 1.543,1154 1.479,1155 1.79,1156 1.718,1157 0.971,1158 1.748,1159 1.324,1160 1.25,1161 1.587,1162 1.577,1163 0.754,1164 1.583,1165 1.226,1166 1.158,1167 1.526,1168 1.472,1169 0.711,1170 1.483,1171 4.419,1173 5.714,1175 7.18,1177 8.727,1179 10.318,1180 6.19,1184 11.217,1185 4.166,1186 6.428,1187 11.74,1189 -0.871,1192 46.406,1193 110.077,1194 279.138,1195 394.304,1196 429.523,1197 442.278,1198 446.278,1199 89.672,1200 8.354,1201 92.71,1202 92.71,1203 34,1204 12.559,1205 4.322,1206 3.459,1207 67.206,1208 177,1209 198,1210 0.173,1211 285.653,1212 504.48,1213 688.754,1214 65874,1216 26.907,1217 0.708,1218 0.594,1219 26.907,1220 22.574,1221 18.368,1222 0.448,1223 0.329,1224 13.333,1225 17.764,1226 12.926,1227 10.775,1228 18.368,1229 13.489,1230 16.482,1231 0.3,1232 0.187,1233 16.482,1234 10.269,1235 12.901,1236 0.193,1237 0.1,1238 12.901,1239 6.685,1240 10.425,1241 0.126,1242 0.055,1243 10.425,1244 4.534,1245 8.47,1246 0.083,1247 0.031,1248 8.47,1249 3.115,1250 0.273,1251 114.497,1252 0.191,1253 34.341,1254 0.473,1255 192,1256 517.667,1257 209.01,1258 495.392,1259 673.29,1260 466,1261 218,1262 484.734,1263 234.404,1264 490.978,1265 711.89,1266 462,1267 8.097} {0 CHEMBL595066,1 1.392,2 13.429,3 5.244,4 27.505,5 168.927,6 6.573,7 0.391,8 4.533,9 4.66,10 3.986,11 4.06,12 5.519,13 4.015,14 5.099,15 5.284,16 4.303,17 4.449,18 6.026,19 4.373,20 5.398,21 5.618,22 4.434,23 4.649,24 6.324,25 4.545,26 5.56,27 5.805,28 4.469,29 4.729,30 6.429,31 4.607,32 5.611,33 5.852,34 4.574,35 4.785,36 6.569,37 4.67,38 5.671,39 5.899,40 4.614,41 4.845,42 6.647,43 4.729,44 5.758,45 6.002,46 4.624,47 4.892,48 6.673,49 4.767,50 5.782,51 6.049,52 4.601,53 4.866,54 6.67,55 4.735,56 0.092,57 1.202,58 20.604,59 8.7,60 15.319,61 11.891,62 0.347,63 1.941,64 37.473,65 14.238,66 37.991,67 19.964,68 0.526,69 2.516,70 51.03,71 18.61,72 66.802,73 26.691,74 0.572,75 2.838,76 60.42,77 21.595,78 72.562,79 31.092,80 0.81,81 2.986,82 63.843,83 22.783,84 103.911,85 32.767,86 0.885,87 3.154,88 67.984,89 24.138,90 117.144,91 34.372,92 0.82,93 3.413,94 74.222,95 25.64,96 107.827,97 37.089,98 0.989,99 3.366,100 76.584,101 26.186,102 112.495,103 37.983,104 31,105 64,106 0.209,107 0.536,108 0.779,109 0.876,110 0.888,111 0.888,112 3.765,113 0.997,114 -4.73,115 -4.65,116 -4.37,117 40.2,118 2,119 5,120 1,122 1,123 4,125 2,127 1,135 11,136 5,137 2,145 1,154 20,157 5,160 1,162 8,163 23,167 7,170 2,171 9,174 18,178 5,182 1,183 8,186 15,190 3,192 4,193 1,194 11,197 17,200 1,201 2,204 3,206 14,208 19,212 5,215 1,217 13,220 15,223 1,224 9,226 1,227 1,228 10,231 19,236 4,239 1,240 1,241 7,243 25,246 3986,247 28.463,248 28.463,249 28.463,250 28.463,251 28.463,252 26.29,253 41.537,254 16.944,255 28.959,256 22.678,257 22.678,258 22.678,259 22.678,260 22.678,261 19.201,262 56.596,263 7.99,264 23.388,265 5.051,266 2.874,267 1.254,268 0.609,269 0.532,270 0.532,271 4.462,275 1,276 1216,277 4.183,278 66.075,280 306.433,285 1.905,286 41.294,288 0.75,289 0.83,290 0.83,291 0.9,292 1,293 0.83,294 1,295 0.88,296 89.5,297 564,298 4.666,299 3.851,300 7.704,301 4.572,302 3.591,303 3.971,304 1.151,305 14.216,306 3.523,307 4.303,308 3.587,309 6.202,310 3.961,311 2.972,312 3.93,313 1.058,314 9.275,315 2.94,316 4.096,317 3.05,318 5.998,319 3.791,320 2.813,321 3.677,322 0.86,323 8.649,324 2.748,325 3.99,326 2.967,327 5.946,328 3.727,329 2.728,330 3.323,331 0.657,332 8.295,333 2.723,334 3.836,335 2.92,336 5.566,337 3.57,338 2.61,339 3.093,340 0.4,341 7.602,342 2.504,343 3.617,344 2.856,345 5.444,346 3.348,347 2.358,348 2.768,350 7.066,351 2.323,352 3.388,353 2.478,354 5.125,355 3.094,356 2.134,357 2.629,359 6.037,360 2.046,361 3.318,362 2.44,363 5.015,364 3.014,365 2.065,366 2.503,368 5.885,369 1.95,370 3.19,371 1.995,372 4.972,373 2.898,374 1.902,375 2.36,377 5.482,378 1.893,379 2.791,380 1.933,381 4.32,382 2.671,383 1.691,384 1.826,386 4.052,387 1.654,388 2.716,389 1.771,390 3.927,391 2.42,392 1.463,393 1.753,395 3.47,396 1.394,397 2.663,398 1.644,399 3.817,400 2.246,401 1.269,402 1.71,404 2.941,405 1.239,406 2.645,407 1.599,408 3.778,409 2.237,410 1.238,411 1.686,413 2.906,414 1.234,415 2.321,416 1.375,417 3.611,418 2.062,419 1.101,420 1.27,422 2.578,423 1.051,424 2.308,425 1.28,426 3.482,427 2,428 1,429 1.264,431 2.323,432 1,433 20.033,434 0.477,435 0.997,436 0.024,437 46.5,438 1.107,439 20.5,440 0.488,441 26,442 0.619,443 50.057,444 1.192,445 47.167,446 0.542,447 41.424,448 0.986,449 8.699,450 0.207,451 11.649,452 0.277,453 0.108,454 0.025,455 0.275,459 0.892,460 1.253,461 0.931,462 1.138,463 0.8,464 1.049,465 1.102,466 1.159,467 1.014,468 1.059,469 0.77,470 1.03,471 1.008,472 1.113,473 1.04,474 1.064,475 0.945,476 1.052,477 1.073,478 1.067,479 1.007,480 1.024,481 1.159,482 1.007,483 0.929,484 1.043,485 0.961,486 1.025,487 1.04,488 0.998,489 1.155,490 1.143,491 1.082,492 1.099,493 1.467,494 1.087,495 1.175,496 1.105,497 1.082,498 1.067,499 1.281,500 1.057,501 1.106,502 0.908,503 0.94,504 0.894,505 1.223,506 0.893,507 9.5,508 0.286,509 4.111,510 2.729,511 2.231,512 1.833,513 1.159,514 0.755,515 0.786,516 0.382,517 28505,518 59935,519 2.082,520 51.7,521 7,522 24,525 4,527 10,529 1.818,530 1.961,531 3.709,532 1.32,535 121.123,536 1.392,537 3.569,538 5.189,539 5.834,540 5.911,541 5.911,542 3.091,543 4.964,544 5.368,545 3.894,546 3352.56,547 9.529,548 59411.3,552 560.536,553 1.446,554 5.325,555 0.207,556 0.005,557 0.067,558 0.041,559 0.033,560 0.024,561 0.015,562 0.01,563 0.01,564 0.006,565 0.418,567 0.75,568 0.831,569 238.41,570 -0.041,571 -0.012,572 0.045,573 0.019,574 -0.073,575 0.041,576 -0.052,577 -0.03,578 -0.015,579 0.006,580 0.01,581 -0.001,582 -0.015,583 -0.03,584 -0.045,585 -0.044,586 -0.002,587 -0.048,588 -0.054,589 -0.042,590 -0.012,591 -0.031,592 -0.083,593 -0.019,594 0.118,595 -0.011,596 0.039,597 -0.031,598 0.122,599 -0.01,600 0.034,601 -0.112,602 -0.07,603 -0.097,604 0.003,605 -0.099,606 -0.048,607 -0.081,608 -0.073,609 -0.088,610 -0.035,611 -0.082,612 0.03,613 0.067,614 0.069,615 0.062,616 0.015,617 0.071,618 2.136,619 6.667,620 0.738,621 43.814,622 0.99,623 1.127,624 3.504,625 12.276,626 0.642,627 3.85,628 4.174,629 4.394,630 4.605,631 4.828,632 4.913,633 5.004,634 5.056,635 5.153,636 5.226,637 8.216,638 0.598,639 571.83,640 3.85,641 5.398,642 6.244,643 7.122,644 7.99,645 8.875,646 9.753,647 10.643,648 11.527,649 12.421,650 3.4,652 1,655 1,657 1,662 11,666 7,667 18,668 1,671 1,674 1,676 87,677 19,678 3,679 46,680 91,681 35,682 18,683 7,684 11,685 1,686 5,687 8,690 2,694 6,695 1,697 7,698 19,699 16,700 2,701 1,704 1,708 1,713 45,714 7,715 4,716 7,719 3,721 0.6,722 4,724 1,730 1,732 3,748 1,751 1,752 1,753 3,756 3,759 42,762 1,763 9,764 3,765 2,767 3,769 1,772 4.6,773 1,775 1,776 1,777 1,778 21.417,779 15.867,780 9.292,781 5.435,783 2.986,784 1.348,785 0.939,786 10.222,787 11.578,788 4.043,789 4.57,790 5.051,791 5.544,792 6.031,793 6.13,794 6.35,795 6.384,796 6.517,797 6.715,798 0.889,799 67,800 15.72,801 6.728,802 7.585,803 30.69,804 25.85,805 2.085,806 87.583,809 482.615,810 187.474,811 54.032,813 89.828,816 187.474,817 572.443,818 54.032,819 28.533,820 44.08,821 164.933,822 58.86,823 34.928,825 482.615,827 482.615,828 241.506,829 89.828,831 364.904,832 153.856,833 53.683,835 79.741,836 143.754,837 18.011,839 482.615,840 143.86,841 187.474,844 482.615,845 54.702,846 132.772,847 54.032,848 89.828,849 482.615,850 143.86,851 187.474,852 0.578,853 0.325,854 0.17,855 0.096,856 29,857 13,858 0.088,859 8,860 4,861 1.194,862 4.949,863 433.568,864 0.258,865 29,866 222.477,870 30.558,871 14.05,872 8.361,874 143.86,875 22.493,879 6.742,880 96.716,881 813.949,882 56,885 13.667,889 -0.217,891 86.17,892 98.052,893 0.216,894 0.554,895 0.805,896 0.905,897 0.917,898 0.917,899 5.301,900 2.065,901 6.24,902 6.037,903 4.86,904 5.257,905 2.146,906 7.069,907 4.809,908 6.489,909 1.902,910 7.816,911 5.885,912 4.575,913 5.047,915 8.286,916 4.523,917 7.796,918 1.691,919 9.508,920 5.482,921 6.524,922 7.345,923 2.144,924 11.327,925 6.437,926 9.138,927 1.463,928 11.276,929 4.052,930 7.074,931 7.896,933 13.479,934 6.983,935 10.515,936 1.269,937 13.1,938 3.47,939 8.533,940 9.721,941 2.244,942 16.179,943 8.416,944 11.916,945 1.238,946 14.967,947 2.941,948 9.466,949 10.629,951 18.676,952 9.337,953 13.336,954 1.101,955 16.868,956 2.906,957 10.759,958 12.243,959 2.395,960 21.323,961 10.61,962 3.591,963 1,964 18.797,965 2.578,966 11.868,967 13.341,969 23.929,970 11.703,971 2.972,972 14.216,973 20.748,974 2.323,975 13.116,976 14.847,977 2.576,978 26.575,979 12.932,980 2.813,981 9.275,982 22.719,983 3.971,984 14.307,985 16.052,987 29.214,988 14.104,989 2.728,990 8.649,991 24.704,992 3.93,993 15.551,994 17.497,995 2.778,996 31.864,997 15.329,998 2.61,999 8.295,1000 26.701,1001 3.677,1002 16.781,1003 18.767,1005 34.513,1006 16.539,1007 2.358,1008 7.602,1009 28.708,1010 3.323,1011 18.032,1012 20.178,1013 2.994,1014 37.165,1015 17.77,1016 2.134,1017 7.066,1018 30.723,1019 3.093,1020 19.282,1021 21.485,1023 39.818,1024 19,1025 26939,1026 39242,1027 30.8,1028 55.824,1029 68.193,1030 69.677,1031 70.483,1032 67.624,1033 67.721,1034 81.939,1035 8.253,1036 194.034,1037 65.791,1038 5.652,1039 5.851,1040 7.529,1041 5.638,1042 5.591,1043 6.971,1044 2.302,1045 21.816,1046 5.523,1047 20.186,1048 1.482,1049 1.515,1050 1.532,1051 1.47,1052 1.472,1053 1.781,1054 0.179,1055 4.218,1056 1.43,1057 4.074,1058 4.11,1059 4.003,1060 3.998,1061 7.429,1062 3.994,1063 3.984,1064 4.013,1065 3.927,1066 3.906,1067 6.449,1068 3.907,1069 3.916,1070 3.941,1071 3.857,1072 3.851,1073 4.854,1074 3.848,1075 3.779,1076 3.829,1077 3.673,1078 3.673,1079 4.775,1080 3.665,1081 3.696,1082 3.755,1083 3.576,1084 3.534,1085 4.747,1086 3.532,1087 3.617,1088 3.67,1089 3.477,1090 3.474,1091 4.538,1092 3.469,1093 3.454,1094 3.523,1095 3.299,1096 3.325,1097 4.367,1098 3.304,1099 3.412,1100 3.458,1101 3.266,1102 3.172,1103 4.344,1104 3.192,1105 0.101,1106 0.084,1107 0.167,1108 0.099,1109 0.078,1110 4.666,1111 0.086,1112 3.851,1113 0.025,1114 7.704,1115 0.309,1116 4.572,1117 0.077,1118 3.591,1119 3.971,1120 1.151,1121 14.216,1122 3.523,1123 1.953,1124 1.927,1125 2.076,1126 2.064,1127 1.317,1128 2.065,1129 1.944,1130 1.919,1131 2.06,1132 2.027,1133 1.281,1134 2.042,1135 1.911,1136 1.888,1137 2.019,1138 2.002,1139 1.268,1140 2.009,1141 1.69,1142 1.634,1143 1.927,1144 1.894,1145 1.163,1146 1.903,1147 1.631,1148 1.574,1149 1.84,1150 1.812,1151 1.058,1152 1.828,1153 1.538,1154 1.476,1155 1.788,1156 1.709,1157 0.968,1158 1.739,1159 1.347,1160 1.296,1161 1.632,1162 1.635,1163 0.825,1164 1.633,1165 1.282,1166 1.213,1167 1.538,1168 1.545,1169 0.778,1170 1.543,1171 4.533,1172 1.946,1173 5.855,1174 3.932,1175 7.366,1176 5.9,1177 8.966,1178 7.842,1179 10.616,1180 6.065,1184 11.566,1185 6.57,1186 10.283,1187 11.396,1189 -0.853,1191 -0.128,1192 51.986,1193 121.123,1194 310.467,1195 451.463,1196 507.517,1197 514.271,1198 514.271,1199 97.078,1200 8.592,1201 91.85,1202 91.85,1203 37,1204 12.95,1205 4.322,1206 3.459,1207 68.376,1208 202,1209 218,1210 0.155,1211 316.629,1212 561.32,1213 764.336,1214 84772,1216 29.529,1217 0.703,1218 0.598,1219 29.529,1220 25.119,1221 20.347,1222 0.442,1223 0.332,1224 15.109,1225 19.72,1226 14.661,1227 12.178,1228 20.347,1229 15.28,1230 18.333,1231 0.286,1232 0.189,1233 18.333,1234 12.076,1235 14.685,1236 0.184,1237 0.102,1238 14.685,1239 8.125,1240 11.72,1241 0.118,1242 0.056,1243 11.72,1244 5.581,1245 9.566,1246 0.077,1247 0.031,1248 9.566,1249 3.835,1250 0.243,1251 126.643,1252 0.18,1253 36.947,1254 0.428,1255 220,1256 540.355,1257 235.903,1258 520.215,1259 711.25,1260 490,1261 257,1262 511.443,1263 272.907,1264 524.358,1265 764.37,1266 492,1267 9.398} {0 CHEMBL595267,1 1.437,2 13.429,3 5.236,4 27.42,5 162.981,6 6.751,7 0.391,8 4.518,9 4.638,10 3.995,11 4.03,12 5.527,13 3.996,14 5.085,15 5.263,16 4.316,17 4.408,18 6.049,19 4.347,20 5.368,21 5.582,22 4.44,23 4.599,24 6.329,25 4.512,26 5.515,27 5.749,28 4.476,29 4.679,30 6.423,31 4.575,32 5.585,33 5.816,34 4.584,35 4.738,36 6.599,37 4.64,38 5.616,39 5.832,40 4.615,41 4.807,42 6.613,43 4.703,44 5.739,45 5.976,46 4.632,47 4.856,48 6.684,49 4.744,50 5.75,51 6.007,52 4.609,53 4.818,54 6.682,55 4.703,56 0.062,57 1.17,58 19.741,59 8.483,60 15.127,61 11.333,62 0.404,63 1.874,64 36.759,65 13.706,66 43.902,67 18.893,68 0.612,69 2.399,70 49.649,71 17.557,72 72.521,73 24.865,74 0.566,75 2.689,76 57.902,77 20.315,78 75.743,79 28.892,80 1.138,81 2.845,82 62.84,83 21.532,84 126.35,85 30.677,86 0.787,87 3.003,88 63.794,89 22.87,90 111.065,91 32.271,92 0.919,93 3.282,94 73.263,95 24.736,96 117.099,97 35.342,98 1.146,99 3.198,100 75.022,101 24.826,102 128.54,103 35.712,104 31,105 64,106 0.217,107 0.551,108 0.778,109 0.855,110 0.878,111 0.885,112 3.765,113 0.981,114 -4.62,115 -4.54,116 -4.27,117 40,118 2,119 5,120 1,122 1,123 4,125 2,127 1,135 10,136 4,137 1,139 1,140 1,145 1,154 18,156 1,157 8,160 1,162 5,163 20,166 1,167 9,170 2,171 6,174 16,178 6,182 1,183 6,186 14,189 4,190 3,192 3,194 10,197 15,200 1,201 2,204 3,206 14,208 17,211 1,212 8,215 1,217 9,220 13,223 1,224 11,226 3,228 6,231 16,236 8,239 3,241 5,243 21,246 3986,247 28.463,248 28.463,249 28.463,250 28.463,251 28.463,252 26.29,253 39.023,254 16.944,255 29.093,256 22.678,257 22.678,258 22.678,259 22.678,260 22.678,261 19.201,262 49.3,263 7.99,264 23.617,265 4.973,266 2.758,267 1.25,268 0.741,269 0.591,270 0.544,271 4.462,275 1,276 1216,277 4.183,278 66.075,280 306.433,285 1.905,286 46.368,288 0.75,289 0.83,290 0.83,291 0.9,292 1,293 0.83,294 1,295 0.88,296 90.5,297 564,298 4.666,299 3.851,300 7.704,301 4.572,302 3.591,303 3.971,304 1.151,305 14.216,306 3.523,307 4.303,308 3.589,309 6.202,310 3.951,311 2.972,312 3.93,313 1.058,314 9.275,315 2.911,316 4.096,317 3.056,318 5.998,319 3.782,320 2.813,321 3.677,322 0.86,323 8.649,324 2.735,325 3.99,326 2.984,327 5.946,328 3.727,329 2.728,330 3.323,331 0.86,332 8.295,333 2.721,334 3.836,335 2.967,336 5.566,337 3.565,338 2.61,339 3.093,340 0.657,341 7.602,342 2.486,343 3.617,344 2.863,345 5.444,346 3.32,347 2.358,348 2.768,350 7.066,351 2.254,352 3.388,353 2.627,354 5.125,355 3.059,356 2.134,357 2.629,359 6.037,360 1.966,361 3.318,362 2.442,363 5.015,364 3.011,365 2.065,366 2.503,368 5.885,369 1.937,370 3.19,371 2.004,372 4.972,373 2.898,374 1.902,375 2.36,377 5.482,378 1.893,379 2.791,380 1.982,381 4.32,382 2.664,383 1.691,384 1.826,386 4.052,387 1.641,388 2.716,389 1.785,390 3.927,391 2.415,392 1.463,393 1.753,395 3.47,396 1.385,397 2.663,398 1.655,399 3.817,400 2.243,401 1.269,402 1.71,404 2.941,405 1.238,406 2.645,407 1.6,408 3.778,409 2.237,410 1.238,411 1.686,413 2.906,414 1.229,415 2.321,416 1.442,417 3.611,418 2.059,419 1.101,420 1.27,422 2.578,423 1.047,424 2.308,425 1.28,426 3.482,427 2,428 1,429 1.264,431 2.323,432 1,433 19.867,434 0.473,435 0.997,436 0.024,437 47,438 1.119,439 20.5,440 0.488,441 26.5,442 0.631,443 49.448,444 1.177,445 47.333,446 0.557,447 42.033,448 1.001,449 8.821,450 0.21,451 11.527,452 0.274,453 0.109,454 0.025,455 0.277,459 0.867,460 1.3,461 0.89,462 1.181,463 0.791,464 1.056,465 1.1,466 1.162,467 0.987,468 1.056,469 0.781,470 1.015,471 1.046,472 1.072,473 1.026,474 1.028,475 0.978,476 1.02,477 1.069,478 1.09,479 1.009,480 1.052,481 1.177,482 1.023,483 0.931,484 0.99,485 0.96,486 0.97,487 1.033,488 0.967,489 0.996,490 1.193,491 1.067,492 1.159,493 1.32,494 1.129,495 1.162,496 1.082,497 1.08,498 1.06,499 1.28,500 1.053,501 1.091,502 0.904,503 0.939,504 0.888,505 1.216,506 0.887,507 9.5,508 0.286,509 4.111,510 2.729,511 2.231,512 1.833,513 1.159,514 0.755,515 0.786,516 0.382,517 28505,518 63635,519 2.082,520 50.6,521 7,522 23,525 3,527 10,529 1.818,530 1.961,531 3.709,532 0.677,535 122.131,536 1.437,537 3.652,538 5.16,539 5.668,540 5.818,541 5.865,542 3.091,543 4.964,544 5.368,545 3.894,546 3352.56,547 9.529,548 59411.3,552 544.798,553 1.446,554 5.325,555 0.207,556 0.005,557 0.067,558 0.041,559 0.033,560 0.024,561 0.015,562 0.01,563 0.01,564 0.006,565 0.418,566 0.17,567 0.75,568 0.831,569 238.41,570 -0.035,571 -0.064,572 0.052,573 -0.018,574 -0.067,575 0.024,576 -0.027,577 -0.045,578 0.001,579 0.003,580 0.023,581 0.001,582 -0.018,583 0.008,584 -0.035,585 -0.016,586 -0.01,587 -0.027,588 -0.064,589 -0.06,590 -0.019,591 -0.055,592 -0.094,593 -0.034,594 0.176,595 0.033,596 0.044,597 0.016,598 0.156,599 0.012,600 0.035,601 -0.147,602 -0.078,603 -0.142,604 0.011,605 -0.131,606 -0.051,607 -0.066,608 -0.075,609 -0.083,610 -0.047,611 -0.08,612 0.041,613 0.064,614 0.074,615 0.068,616 0.028,617 0.076,618 2.167,619 6.611,620 0.738,621 43.814,622 0.995,623 1.128,624 3.386,625 11.467,626 0.641,627 3.85,628 4.174,629 4.394,630 4.605,631 4.828,632 4.913,633 5.004,634 5.056,635 5.153,636 5.226,637 8.216,638 0.602,639 573.8,640 3.85,641 5.398,642 6.244,643 7.122,644 7.99,645 8.875,646 9.753,647 10.643,648 11.527,649 12.421,650 3.5,652 1,657 1,660 1,662 10,663 1,666 7,667 18,668 1,674 2,676 85,677 19,678 2,679 46,680 89,681 34,682 17,683 4,684 8,685 1,686 5,687 8,690 2,694 6,695 1,697 7,698 18,699 16,700 2,701 1,704 1,708 1,713 43,714 8,715 3,716 8,719 3,721 0.6,722 5,724 1,728 1,730 1,732 3,748 1,751 1,752 1,753 3,756 3,759 42,762 1,763 9,764 2,765 3,767 3,769 1,772 5.9,773 1,775 1,776 1,777 2,778 21.417,779 15.65,780 9.292,781 5.306,783 2.986,784 1.348,785 0.931,786 10.17,787 11.578,788 4.043,789 4.57,790 5.051,791 5.544,792 6.031,793 6.13,794 6.35,795 6.384,796 6.517,797 6.715,798 0.889,799 67,800 15.721,801 6.737,802 7.633,803 30.462,804 25.493,805 2.133,806 89.583,809 470.844,810 182.113,811 52.807,813 100.828,816 182.113,817 571.672,818 52.807,819 28.533,820 46.566,821 155.457,822 57.635,823 42.742,824 4.815,825 470.844,827 470.844,828 234.92,829 100.828,831 353.133,832 164.856,833 53.683,835 84.984,836 133.151,837 16.786,839 470.844,840 153.635,841 182.113,844 470.844,845 58.817,846 123.296,847 36.022,848 117.613,849 470.844,850 153.635,851 182.113,852 0.578,853 0.325,854 0.17,855 0.096,856 29,857 13,858 0.09,859 8,860 4,861 1.194,862 4.949,863 433.568,864 0.258,865 29,866 222.477,870 30.495,871 14.007,872 8.33,874 153.635,875 19.967,876 4.496,879 5.723,880 78.705,881 806.592,882 56,885 13.611,889 -0.297,891 84.614,892 95.846,893 0.224,894 0.57,895 0.805,896 0.884,897 0.908,898 0.915,899 5.301,900 2.065,901 6.24,902 6.037,903 4.86,904 5.257,905 2.273,906 7.069,907 4.792,908 6.489,909 1.902,910 7.816,911 5.885,912 4.575,913 5.047,915 8.286,916 4.504,917 7.796,918 1.691,919 9.508,920 5.482,921 6.524,922 7.345,923 2.259,924 11.327,925 6.409,926 9.138,927 1.463,928 11.276,929 4.052,930 7.074,931 7.896,933 13.479,934 6.959,935 10.515,936 1.269,937 13.1,938 3.47,939 8.533,940 9.721,941 2.326,942 16.179,943 8.387,944 11.916,945 1.238,946 14.967,947 2.941,948 9.466,949 10.629,951 18.676,952 9.314,953 13.336,954 1.101,955 16.868,956 2.906,957 10.759,958 12.243,959 2.448,960 21.323,961 10.584,962 3.591,963 1,964 18.797,965 2.578,966 11.868,967 13.341,969 23.929,970 11.682,971 2.972,972 14.216,973 20.748,974 2.323,975 13.116,976 14.847,977 2.609,978 26.575,979 12.911,980 2.813,981 9.275,982 22.719,983 3.971,984 14.307,985 16.052,987 29.214,988 14.086,989 2.728,990 8.649,991 24.704,992 3.93,993 15.551,994 17.497,995 2.798,996 31.864,997 15.312,998 2.61,999 8.295,1000 26.701,1001 3.677,1002 16.781,1003 18.767,1005 34.513,1006 16.525,1007 2.358,1008 7.602,1009 28.708,1010 3.323,1011 18.032,1012 20.178,1013 3.006,1014 37.165,1015 17.758,1016 2.134,1017 7.066,1018 30.723,1019 3.093,1020 19.282,1021 21.485,1023 39.818,1024 18.989,1025 26939,1026 40486,1027 30.8,1028 54.518,1029 68.193,1030 69.886,1031 70.483,1032 67.61,1033 67.721,1034 81.939,1035 9.173,1036 194.034,1037 65.192,1038 5.652,1039 5.851,1040 7.529,1041 5.662,1042 5.591,1043 6.971,1044 2.302,1045 21.816,1046 5.523,1047 20.186,1048 1.482,1049 1.519,1050 1.532,1051 1.47,1052 1.472,1053 1.781,1054 0.199,1055 4.218,1056 1.417,1057 4.07,1058 4.107,1059 4,1060 3.995,1061 7.429,1062 3.991,1063 3.969,1064 3.996,1065 3.915,1066 3.88,1067 6.449,1068 3.881,1069 3.901,1070 3.924,1071 3.85,1072 3.801,1073 4.951,1074 3.812,1075 3.778,1076 3.829,1077 3.672,1078 3.672,1079 4.842,1080 3.665,1081 3.689,1082 3.741,1083 3.57,1084 3.524,1085 4.756,1086 3.523,1087 3.611,1088 3.665,1089 3.471,1090 3.466,1091 4.599,1092 3.46,1093 3.454,1094 3.523,1095 3.296,1096 3.325,1097 4.376,1098 3.304,1099 3.41,1100 3.453,1101 3.266,1102 3.159,1103 4.348,1104 3.181,1105 0.101,1106 0.084,1107 0.167,1108 0.099,1109 0.078,1110 4.666,1111 0.086,1112 3.851,1113 0.025,1114 7.704,1115 0.309,1116 4.572,1117 0.077,1118 3.591,1119 3.971,1120 1.151,1121 14.216,1122 3.523,1123 1.95,1124 1.923,1125 2.075,1126 2.054,1127 1.315,1128 2.055,1129 1.929,1130 1.904,1131 2.051,1132 2.024,1133 1.273,1134 2.038,1135 1.86,1136 1.838,1137 1.952,1138 1.988,1139 1.256,1140 1.979,1141 1.68,1142 1.628,1143 1.916,1144 1.887,1145 1.065,1146 1.895,1147 1.624,1148 1.568,1149 1.836,1150 1.808,1151 1.045,1152 1.823,1153 1.537,1154 1.475,1155 1.786,1156 1.708,1157 0.967,1158 1.739,1159 1.341,1160 1.29,1161 1.627,1162 1.633,1163 0.825,1164 1.628,1165 1.273,1166 1.205,1167 1.534,1168 1.528,1169 0.756,1170 1.531,1171 4.533,1172 1.946,1173 5.855,1174 3.932,1175 7.366,1176 5.9,1177 8.966,1178 7.842,1179 10.616,1180 5.989,1184 11.541,1185 5.72,1186 6.762,1187 17.149,1189 -0.934,1191 -0.144,1192 51.174,1193 122.131,1194 310.398,1195 438.559,1196 481.779,1197 494.534,1198 498.534,1199 98.801,1200 8.592,1201 101.94,1202 101.94,1203 37,1204 12.95,1205 4.322,1206 3.459,1207 68.376,1208 202,1209 218,1210 0.155,1211 311.033,1212 552.81,1213 750.681,1214 84772,1216 29.529,1217 0.703,1218 0.593,1219 29.529,1220 24.897,1221 20.347,1222 0.442,1223 0.327,1224 14.84,1225 19.595,1226 14.419,1227 11.948,1228 20.347,1229 15.039,1230 18.333,1231 0.286,1232 0.184,1233 18.333,1234 11.764,1235 14.685,1236 0.184,1237 0.098,1238 14.685,1239 7.857,1240 11.72,1241 0.118,1242 0.054,1243 11.72,1244 5.314,1245 9.566,1246 0.077,1247 0.029,1248 9.566,1249 3.626,1250 0.243,1251 127.505,1252 0.18,1253 36.947,1254 0.428,1255 220,1256 589.403,1257 239.89,1258 557.879,1259 760.05,1260 526,1261 257,1262 546.024,1263 276.617,1264 553.928,1265 809.97,1266 520,1267 8.301} {0 CHEMBL600326,1 1.415,2 13.275,3 5.287,4 27.947,5 156.378,6 6.713,7 0.409,8 4.468,9 4.59,10 3.942,11 4,12 5.468,13 3.96,14 5.03,15 5.212,16 4.277,17 4.382,18 5.993,19 4.314,20 5.337,21 5.555,22 4.39,23 4.569,24 6.289,25 4.477,26 5.468,27 5.701,28 4.417,29 4.643,30 6.376,31 4.533,32 5.545,33 5.781,34 4.512,35 4.699,36 6.549,37 4.591,38 5.566,39 5.788,40 4.528,41 4.762,42 6.537,43 4.65,44 5.687,45 5.933,46 4.559,47 4.812,48 6.611,49 4.689,50 5.685,51 5.95,52 4.535,53 4.766,54 6.607,55 4.641,56 0.072,57 1.121,58 18.781,59 8.097,60 14.108,61 10.912,62 0.326,63 1.815,64 34.5,65 13.273,66 38.492,67 18.463,68 0.569,69 2.337,70 48.19,71 17.028,72 69.106,73 24.115,74 0.536,75 2.592,76 55.101,77 19.652,78 71.94,79 27.814,80 1.022,81 2.745,82 60.306,83 21.059,84 121.591,85 29.857,86 0.634,87 2.888,88 60.55,89 21.921,90 98.988,91 30.948,92 0.819,93 3.161,94 69.241,95 23.99,96 106.88,97 34.424,98 1.005,99 3.047,100 69.863,101 23.971,102 114.837,103 34.502,104 27,105 62,106 0.215,107 0.548,108 0.769,109 0.85,110 0.874,111 0.882,112 3.718,113 0.988,114 -5.18,115 -5.07,116 -4.75,117 40.7,118 3,119 5,120 1,123 3,125 2,127 1,135 10,136 4,137 1,139 1,140 1,145 1,154 18,156 1,157 9,160 1,162 5,163 21,167 8,170 2,171 6,174 17,178 6,182 1,183 6,186 15,189 3,190 3,192 3,194 11,197 15,201 2,204 2,206 14,208 18,211 1,212 7,215 1,217 9,220 15,223 1,224 9,226 3,228 7,231 17,236 8,239 2,241 6,243 23,246 3464,247 26.885,248 26.885,249 26.885,250 26.885,251 26.885,252 24.661,253 36.061,254 15.832,255 27.347,256 21.712,257 21.712,258 21.712,259 21.712,260 21.712,261 18.218,262 44.947,263 7.54,264 22.467,265 4.924,266 2.738,267 1.287,268 0.753,269 0.596,270 0.546,271 4.414,275 1,276 1152,277 3.937,278 63.137,280 288.746,285 1.839,286 42.156,288 0.75,289 0.83,290 0.83,291 0.9,292 1,293 0.83,294 1,295 0.88,296 85.5,297 531,298 4.666,299 3.851,300 7.704,301 4.572,302 3.591,303 3.971,304 1.058,305 14.216,306 3.523,307 4.292,308 3.587,309 6.196,310 3.944,311 2.964,312 3.918,313 0.86,314 9.24,315 2.906,316 4.095,317 3.051,318 5.987,319 3.775,320 2.804,321 3.677,322 0.86,323 8.594,324 2.732,325 3.99,326 2.967,327 5.946,328 3.727,329 2.728,330 3.323,331 0.657,332 8.295,333 2.72,334 3.825,335 2.942,336 5.564,337 3.56,338 2.607,339 3.079,341 7.59,342 2.482,343 3.608,344 2.858,345 5.374,346 3.289,347 2.336,348 2.766,350 6.894,351 2.212,352 3.325,353 2.446,354 5.125,355 3.023,356 2.075,357 2.558,359 5.885,360 1.955,361 3.304,362 2.392,363 4.972,364 2.95,365 2.006,366 2.501,368 5.484,369 1.895,370 3.19,371 1.994,372 4.788,373 2.897,374 1.901,375 2.36,377 5.398,378 1.876,379 2.782,380 1.858,381 4.307,382 2.652,383 1.677,384 1.822,386 4.017,387 1.631,388 2.71,389 1.731,390 3.917,391 2.407,392 1.456,393 1.743,395 3.469,396 1.379,397 2.663,398 1.655,399 3.817,400 2.238,401 1.253,402 1.709,404 2.921,405 1.238,406 2.645,407 1.444,408 3.777,409 2.233,410 1.238,411 1.685,413 2.897,414 1.223,415 2.318,416 1.28,417 3.609,418 2.039,419 1.052,420 1.269,422 2.574,423 1.03,424 2.308,425 1.205,426 3.482,427 2,428 1,429 1.257,431 2.323,432 1,433 19.033,434 0.476,435 1.035,436 0.026,437 45.5,438 1.138,439 20.5,440 0.513,441 25,442 0.625,443 46.684,444 1.167,445 44.567,446 0.55,447 38.868,448 0.972,449 8.332,450 0.208,451 10.978,452 0.274,453 0.114,454 0.026,455 0.289,459 0.86,460 1.258,461 0.899,462 1.137,463 0.793,464 1.037,465 0.945,466 1.204,467 0.95,468 1.099,469 0.699,470 1.037,471 1.181,472 1.046,473 1.048,474 1.001,475 1.015,476 1.001,477 1.156,478 1.089,479 1.048,480 1.066,481 1.205,482 1.043,483 1.033,484 0.982,485 0.977,486 0.963,487 1.038,488 0.964,489 1.122,490 1.185,491 1.105,492 1.15,493 1.417,494 1.13,495 1.101,496 1.054,497 1.046,498 1.042,499 1.216,500 1.032,501 1.011,502 0.904,503 0.896,504 0.889,505 1.03,506 0.878,507 9.5,508 0.278,509 4.111,510 2.729,511 2.191,512 1.687,513 1.078,514 0.755,515 0.761,516 0.362,517 25351,518 54653,519 2.086,520 50.6,521 7,522 18,525 3,526 3,527 10,529 1.806,530 1.959,531 3.679,532 0.682,535 114.648,536 1.415,537 3.602,538 5.053,539 5.587,540 5.744,541 5.793,542 3.077,543 4.972,544 5.299,545 3.856,546 3007.88,547 9.383,548 51346.2,552 513.528,553 1.479,554 5.251,555 0.216,556 0.006,557 0.07,558 0.043,559 0.034,560 0.024,561 0.015,562 0.01,563 0.011,564 0.006,565 0.435,566 0.17,567 0.75,568 0.641,569 223.828,570 -0.036,571 -0.037,572 0.049,573 0.008,574 -0.077,575 0.036,576 0.046,577 -0.086,578 0.029,579 -0.04,580 0.066,581 -0.016,582 -0.054,583 0.021,584 -0.044,585 -0.002,586 -0.032,587 -0.018,588 -0.073,589 -0.064,590 -0.05,591 -0.073,592 -0.1,593 -0.06,594 0.157,595 0.023,596 0.035,597 0.019,598 0.164,599 0.011,600 -0.043,601 -0.148,602 -0.111,603 -0.143,604 -0.056,605 -0.139,606 -0.01,607 -0.048,608 -0.044,609 -0.069,610 -0.029,611 -0.059,612 0.104,613 0.054,614 0.112,615 0.07,616 0.089,617 0.09,618 2.142,619 6.448,620 0.775,621 39.07,622 0.993,623 1.126,624 3.951,625 15.614,626 0.646,627 3.807,628 4.143,629 4.357,630 4.564,631 4.779,632 4.844,633 4.927,634 4.977,635 5.081,636 5.153,637 7.974,638 0.604,639 543.77,640 3.807,641 5.361,642 6.209,643 7.089,644 7.957,645 8.843,646 9.72,647 10.61,648 11.495,649 12.389,650 3.7,652 1,657 1,660 1,662 10,663 1,666 7,667 18,668 1,674 2,676 81,677 19,678 2,679 44,680 85,681 33,682 17,683 4,684 8,685 1,686 5,687 8,690 3,694 6,695 1,697 7,698 18,699 15,700 2,701 1,704 1,708 1,713 41,714 7,715 3,716 7,719 3,721 0.6,722 4,724 1,728 1,730 1,732 3,748 1,751 1,753 3,756 3,759 40,762 1,763 8,764 2,765 2,767 3,769 1,772 4.9,773 1,775 1,777 2,778 20.417,779 14.983,780 8.708,781 5.181,783 2.985,784 1.352,785 0.937,786 9.095,787 11.463,788 4.007,789 4.549,790 5.026,791 5.514,792 5.993,793 6.061,794 6.261,795 6.283,796 6.447,797 6.658,798 0.889,799 64,800 14.975,801 6.458,802 7.615,803 29.111,804 24.594,805 2.115,806 84.583,809 447.302,810 175.463,811 52.807,813 89.828,816 175.463,817 537.13,818 52.807,819 26.476,820 41.974,821 155.457,822 46.635,823 42.742,824 4.815,825 447.302,827 447.302,828 228.27,829 89.828,831 329.591,832 164.856,833 42.683,835 89.217,836 122.267,837 16.786,839 447.302,840 142.635,841 175.463,844 447.302,845 54.225,846 121.238,847 36.022,848 106.614,849 447.302,850 142.635,851 175.463,852 0.585,853 0.327,854 0.168,855 0.094,856 29,857 13,858 0.071,859 6,860 4,861 1.194,862 4.817,863 406.588,864 0.258,865 29,866 208.877,870 28.601,871 12.719,872 7.641,874 142.635,875 20.07,876 4.431,879 5.967,880 78.705,881 765.4,882 54,885 13.448,889 -0.26,891 80.403,892 91.221,893 0.223,894 0.568,895 0.797,896 0.881,897 0.906,898 0.914,899 5.27,900 2.006,901 6.213,902 5.885,903 4.828,904 5.236,905 1.955,906 7.045,907 4.767,908 6.467,909 1.901,910 7.793,911 5.484,912 4.575,913 5.047,915 8.272,916 4.504,917 7.779,918 1.677,919 9.488,920 5.398,921 6.5,922 7.332,923 1.803,924 11.31,925 6.392,926 9.123,927 1.456,928 11.258,929 4.017,930 7.066,931 7.888,933 13.47,934 6.953,935 10.501,936 1.253,937 13.084,938 3.469,939 8.515,940 9.71,941 1.721,942 16.171,943 8.375,944 11.903,945 1.238,946 14.953,947 2.921,948 9.456,949 10.617,951 18.671,952 9.307,953 13.323,954 1.052,955 16.856,956 2.897,957 10.746,958 12.232,959 1.689,960 21.319,961 10.576,962 3.591,963 1,964 18.786,965 2.574,966 11.86,967 13.328,969 23.927,970 11.676,971 2.964,972 14.216,973 20.74,974 2.323,975 13.107,976 14.834,977 1.694,978 26.573,979 12.905,980 2.804,981 9.24,982 22.712,983 3.971,984 14.3,985 16.038,987 29.213,988 14.082,989 2.728,990 8.594,991 24.698,992 3.918,993 15.545,994 17.483,995 1.726,996 31.863,997 15.308,998 2.607,999 8.295,1000 26.697,1001 3.677,1002 16.776,1003 18.75,1005 34.512,1006 16.522,1007 2.336,1008 7.59,1009 28.705,1010 3.323,1011 18.028,1012 20.162,1013 1.777,1014 37.165,1015 17.755,1016 2.075,1017 6.894,1018 30.72,1019 3.079,1020 19.278,1021 21.467,1023 39.817,1024 18.987,1025 23818,1026 35194,1027 29.413,1028 52.302,1029 65.746,1030 67.303,1031 67.572,1032 65.153,1033 65.242,1034 79.473,1035 6.871,1036 188.52,1037 63.157,1038 5.652,1039 5.851,1040 7.529,1041 5.66,1042 5.591,1043 6.971,1044 2.117,1045 21.816,1046 5.523,1047 19.397,1048 1.494,1049 1.53,1050 1.536,1051 1.481,1052 1.483,1053 1.806,1054 0.156,1055 4.285,1056 1.435,1057 4.07,1058 4.106,1059 3.999,1060 3.995,1061 7.429,1062 3.991,1063 3.967,1064 3.995,1065 3.911,1066 3.88,1067 6.449,1068 3.881,1069 3.898,1070 3.923,1071 3.847,1072 3.8,1073 4.941,1074 3.81,1075 3.778,1076 3.829,1077 3.672,1078 3.672,1079 4.842,1080 3.665,1081 3.689,1082 3.741,1083 3.569,1084 3.524,1085 4.756,1086 3.523,1087 3.607,1088 3.663,1089 3.466,1090 3.466,1091 4.396,1092 3.459,1093 3.452,1094 3.522,1095 3.276,1096 3.325,1097 4.351,1098 3.303,1099 3.317,1100 3.373,1101 3.226,1102 3.1,1103 4.301,1104 3.11,1105 0.106,1106 0.088,1107 0.175,1108 0.104,1109 0.082,1110 4.666,1111 0.09,1112 3.851,1113 0.024,1114 7.704,1115 0.323,1116 4.572,1117 0.08,1118 3.591,1119 3.971,1120 1.058,1121 14.216,1122 3.523,1123 1.95,1124 1.923,1125 2.075,1126 2.054,1127 1.315,1128 2.055,1129 1.929,1130 1.904,1131 2.051,1132 2.024,1133 1.273,1134 2.038,1135 1.862,1136 1.837,1137 1.962,1138 1.986,1139 1.256,1140 1.98,1141 1.68,1142 1.628,1143 1.919,1144 1.887,1145 1.062,1146 1.895,1147 1.624,1148 1.568,1149 1.838,1150 1.805,1151 1.03,1152 1.823,1153 1.537,1154 1.475,1155 1.787,1156 1.706,1157 0.966,1158 1.738,1159 1.312,1160 1.243,1161 1.57,1162 1.565,1163 0.825,1164 1.566,1165 1.221,1166 1.154,1167 1.513,1168 1.472,1169 0.753,1170 1.477,1171 4.489,1172 1.946,1173 5.82,1174 3.932,1175 7.336,1176 5.9,1177 8.939,1178 7.842,1179 10.591,1180 6.254,1184 11.477,1185 5.626,1186 6.761,1187 11.806,1189 -0.868,1191 -0.129,1192 48.933,1193 114.648,1194 291.728,1195 409.289,1196 452.508,1197 465.263,1198 469.263,1199 90.528,1200 8.478,1201 92.71,1202 92.71,1203 37,1204 12.917,1205 4.322,1206 3.459,1207 63.487,1208 187,1209 200,1210 0.156,1211 297.445,1212 526.72,1213 717.525,1214 74339,1216 28.114,1217 0.703,1218 0.595,1219 28.114,1220 23.782,1221 19.309,1222 0.439,1223 0.329,1224 14.337,1225 18.714,1226 13.914,1227 11.531,1228 19.309,1229 14.489,1230 17.783,1231 0.287,1232 0.185,1233 17.783,1234 11.481,1235 14.127,1236 0.183,1237 0.099,1238 14.127,1239 7.64,1240 11.263,1241 0.119,1242 0.054,1243 11.263,1244 5.17,1245 9.171,1246 0.078,1247 0.03,1248 9.171,1249 3.526,1250 0.244,1251 120.07,1252 0.184,1253 35.544,1254 0.429,1255 212,1256 537.667,1257 229.676,1258 515.9,1259 709.77,1260 486,1261 248,1262 521.297,1263 265.07,1264 527.28,1265 771.89,1266 498,1267 8.398} {0 CHEMBL62380,1 1.543,2 13.614,3 3.774,4 14.243,5 169.976,6 6.635,7 0.13,8 4.62,9 4.747,10 4.158,11 4.088,12 5.587,13 4.033,14 5.234,15 5.424,16 4.452,17 4.505,18 6.294,19 4.411,20 5.598,21 5.837,22 4.566,23 4.713,24 6.574,25 4.575,26 5.72,27 5.976,28 4.628,29 4.716,30 6.734,31 4.599,32 5.704,33 5.938,34 4.715,35 4.71,36 6.996,37 4.631,38 5.722,39 5.953,40 4.748,41 4.811,42 6.829,43 4.715,44 5.848,45 6.081,46 4.799,47 4.903,48 6.93,49 4.804,50 5.898,51 6.139,52 4.786,53 4.955,54 7.061,55 4.837,56 0.142,57 1.353,58 27.175,59 9.355,60 31.069,61 13.107,62 0.7,63 2.151,64 46.671,65 16.075,66 99.186,67 22.584,68 1.013,69 2.742,70 70.91,71 21.944,72 144.516,73 30.855,74 1.121,75 2.842,76 82.625,77 21.85,78 184.924,79 31.995,80 1.927,81 2.804,82 76.916,83 20.419,84 328.054,85 30.151,86 1.129,87 3.039,88 78.691,89 23.003,90 204.293,91 32.92,92 1.33,93 3.342,94 90.676,95 25.134,96 223.869,97 36.389,98 1.787,99 3.476,100 91.704,101 27.633,102 313.082,103 39.889,104 92,105 62,106 0.229,107 0.526,108 0.756,109 0.837,110 0.856,111 0.856,112 3.81,113 1.135,114 -3.02,115 -3.02,116 -2.91,117 33.3,118 2,119 9,120 2,123 4,125 5,130 1,131 1,135 5,136 1,145 2,154 19,156 3,160 5,162 4,163 20,166 1,167 2,169 2,170 4,171 8,174 10,178 7,182 1,183 13,186 3,189 6,190 8,192 6,194 15,197 4,201 13,204 2,205 2,206 14,208 9,212 16,216 1,217 11,220 15,223 4,224 13,226 5,228 9,231 20,236 10,239 1,240 1,241 8,243 21,246 4484,247 28.929,248 28.929,249 28.929,250 28.929,251 28.929,252 27.472,253 27.129,254 17.551,255 29.295,256 22.678,257 22.678,258 22.678,259 22.678,260 22.678,261 20.321,262 31.679,263 8.304,264 23.262,265 5.042,266 3.043,267 1.499,268 0.956,269 0.828,270 0.828,271 4.486,276 1235,277 6.285,280 584.946,285 1.911,286 77.779,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 97,297 599,298 4.803,299 3.822,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.093,308 3.669,309 6.377,310 3.968,311 3.002,312 3.469,313 1.924,314 9.633,315 2.899,316 3.989,317 3.421,318 6.143,319 3.829,320 2.845,321 3.217,322 0.86,323 8.978,324 2.788,325 3.861,326 3.145,327 5.917,328 3.641,329 2.648,330 3,331 0.4,332 8.228,333 2.624,334 3.696,335 2.734,336 5.426,337 3.499,338 2.507,339 2.837,340 0.349,341 7.124,342 2.481,343 3.507,344 2.561,345 5.289,346 3.365,347 2.363,348 2.508,349 0.148,350 6.726,351 2.364,352 3.197,353 2.463,354 5.047,355 3.179,356 2.191,357 2.2,359 5.931,360 2.163,361 3.125,362 2.297,363 4.91,364 2.941,365 2.014,366 2.132,368 5.34,369 1.858,370 2.939,371 2.221,372 4.497,373 2.738,374 1.774,375 2.085,377 4.526,378 1.703,379 2.871,380 1.995,381 4.216,382 2.529,383 1.529,384 1.858,386 3.733,387 1.524,388 2.689,389 1.892,390 3.894,391 2.462,392 1.459,393 1.656,395 3.176,396 1.46,397 2.5,398 1.674,399 3.642,400 2.319,401 1.325,402 1.5,404 2.981,405 1.31,406 2.497,407 1.453,408 3.606,409 2.186,410 1.254,411 1.428,413 2.853,414 1.165,415 2.387,416 1.447,417 3.518,418 2.014,419 1.098,420 1.373,422 2.593,423 1,424 2.253,425 1.411,426 3.251,427 2,428 1,429 1.213,431 2.136,432 1,433 20.767,434 0.472,435 1.177,436 0.027,437 39.75,438 0.903,439 13,440 0.295,441 26.75,442 0.608,443 62.088,444 1.411,445 53.633,446 0.559,447 40.114,448 0.912,449 6.931,450 0.158,451 14.064,452 0.32,453 0.169,454 0.04,455 0.26,459 0.732,460 1.562,461 0.95,462 1.421,463 0.733,464 1.198,465 0.712,466 1.285,467 0.989,468 1.193,469 0.595,470 1.184,471 0.897,472 1.123,473 1.116,474 1.151,475 0.875,476 1.095,477 1.231,478 1.074,479 1.071,480 1.045,481 1.351,482 0.93,483 1.244,484 0.932,485 0.929,486 0.822,487 1.346,488 0.87,489 1.217,490 1.088,491 1.021,492 1.006,493 1.244,494 0.977,495 1.424,496 1.038,497 1.108,498 0.997,499 1.523,500 0.982,501 1.087,502 0.951,503 0.988,504 0.938,505 1.161,506 0.987,507 10,508 0.442,509 4.889,510 3.188,511 2.631,512 1.896,513 1.348,514 1.203,515 0.777,516 0.532,517 29808,518 71618,519 1.951,520 54.2,521 18,522 21,525 5,527 8,529 1.831,530 1.802,531 3.703,532 2.11,535 148.082,536 1.543,537 3.542,538 5.086,539 5.629,540 5.757,541 5.757,542 3.053,543 4.897,544 5.433,545 3.918,546 3706.5,547 9.674,548 69362,552 632.156,553 1.582,554 5.368,555 0.217,556 0.007,557 0.079,558 0.049,559 0.039,560 0.025,561 0.017,562 0.014,563 0.009,564 0.007,565 0.463,566 0.17,567 0.63,568 1.246,569 253.8,570 0.008,571 -0.142,572 0.15,573 -0.062,574 -0.102,575 0.014,576 0.168,577 -0.059,578 -0.004,579 -0.069,580 0.124,581 -0.097,582 0.047,583 -0.036,584 -0.037,585 -0.066,586 0.004,587 -0.07,588 -0.085,589 -0.076,590 0.035,591 -0.031,592 -0.099,593 0.038,594 0.143,595 0.074,596 0.074,597 0.087,598 0.16,599 0.064,600 -0.058,601 -0.025,602 0.016,603 0.007,604 -0.024,605 0.016,606 -0.175,607 0.002,608 -0.057,609 -0.002,610 -0.154,611 -0.006,612 0.039,613 0.06,614 -0.028,615 0.026,616 0.066,617 -0.004,618 4.938,619 6.679,620 0.409,621 52.186,622 1,623 1.139,624 1.794,625 3.218,626 0.616,627 3.85,628 4.143,629 4.317,630 4.5,631 4.673,632 4.635,633 4.727,634 4.812,635 4.828,636 4.787,637 8.546,638 0.572,639 636.95,640 3.85,641 5.38,642 6.192,643 7.05,644 7.885,645 8.747,646 9.592,647 10.457,648 11.308,649 12.175,650 4.2,652 1,653 1,657 2,662 5,666 1,667 6,676 96,677 11,678 1,679 46,680 98,681 32,682 6,683 1,684 5,686 3,687 3,690 2,694 5,695 1,697 14,698 10,699 22,700 2,701 5,702 1,703 1,704 4,706 1,708 2,713 52,714 11,715 5,716 12,717 1,719 4,721 1,722 7,724 2,732 3,740 2,744 1,745 1,751 2,752 1,753 3,755 1,756 2,759 44,761 1,762 2,763 13,764 3,765 1,767 7,768 1,772 7.3,773 2,775 4,776 1,778 24.417,779 16.433,780 9.903,781 6.047,783 0.772,784 1.104,785 0.882,786 15.103,787 8.199,788 4.007,789 4.425,790 4.661,791 4.953,792 5.296,793 5.169,794 5.335,795 5.558,796 5.699,797 5.712,798 0.889,799 65,800 17.053,801 7.704,802 7.926,803 31.746,804 26.569,805 2.426,806 106.75,809 553.242,810 144.646,811 53.945,813 190.969,815 5.569,816 139.077,817 744.211,818 53.945,819 17.65,820 87.995,821 164.198,822 115.012,823 4.704,825 553.242,827 553.242,828 193.022,829 190.969,830 5.569,831 459.073,832 188.772,833 96.367,835 107.802,836 75.743,837 15.045,839 553.242,840 244.914,841 144.646,843 5.569,844 553.242,845 48.802,846 76.026,847 52.426,848 206.736,849 553.242,850 244.914,851 144.646,852 0.572,853 0.319,854 0.167,855 0.093,856 23,857 13,858 0.173,859 17,861 1,862 4.966,863 435.458,865 18,866 224.215,869 1,870 36.468,871 18.222,872 12.037,874 244.914,875 9.047,879 0.747,880 137.793,881 942.802,882 54,883 3.741,884 -4.021,885 53.771,887 1.509,889 -1.179,891 95.981,892 109.344,893 0.234,894 0.538,895 0.772,896 0.855,897 0.874,898 0.874,899 5.265,900 2.014,901 6.188,902 5.931,903 4.828,904 5.112,905 2.772,906 6.982,907 4.781,908 6.417,909 1.774,910 7.747,911 5.34,912 4.511,913 5.066,914 2.179,915 8.054,916 4.462,917 7.71,918 1.529,919 9.421,920 4.526,921 6.438,922 7.129,923 3.72,924 11.085,925 6.353,926 9.04,927 1.459,928 11.167,929 3.733,930 6.938,931 7.98,932 3.785,933 13.027,934 6.848,935 10.416,936 1.325,937 12.962,938 3.176,939 8.376,940 9.628,941 4.897,942 15.657,943 8.256,944 11.823,945 1.254,946 14.792,947 2.981,948 9.244,949 10.861,950 5.247,951 17.944,952 9.114,953 13.257,954 1.098,955 16.65,956 2.853,957 10.504,958 12.4,959 6.158,960 20.472,961 10.349,962 3.397,963 1,964 18.529,965 2.593,966 11.544,967 13.791,968 6.653,969 22.898,970 11.373,971 3.002,972 12.526,973 20.426,974 2.136,975 12.743,976 15.306,977 7.458,978 25.409,979 12.552,980 2.845,981 9.633,982 22.336,983 4.56,984 13.863,985 16.765,986 8.032,987 27.891,988 13.657,989 2.648,990 8.978,991 24.259,992 3.469,993 15.049,994 18.277,995 8.779,996 30.404,997 14.824,998 2.507,999 8.228,1000 26.191,1001 3.217,1002 16.209,1003 19.767,1004 9.396,1005 32.91,1006 15.968,1007 2.363,1008 7.124,1009 28.132,1010 3,1011 17.396,1012 21.279,1013 10.11,1014 35.428,1015 17.139,1016 2.191,1017 6.726,1018 30.08,1019 2.837,1020 18.578,1021 22.783,1022 10.752,1023 37.944,1024 18.304,1025 29506,1026 46158,1027 29.413,1028 59.126,1029 67.812,1030 70.281,1031 69.84,1032 67.326,1033 67.374,1034 77.06,1035 11.332,1036 186.955,1037 65.677,1038 5.803,1039 5.822,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 27.307,1048 1.474,1049 1.528,1050 1.518,1051 1.464,1052 1.465,1053 1.675,1054 0.246,1055 4.064,1056 1.428,1057 4.053,1058 4.066,1059 4.723,1060 3.952,1061 7.717,1062 3.903,1063 3.935,1064 3.972,1065 3.872,1066 3.835,1067 7.433,1068 3.804,1069 3.893,1070 3.917,1071 3.807,1072 3.815,1073 7.423,1074 3.771,1075 3.797,1076 3.848,1077 3.687,1078 3.659,1079 6.999,1080 3.652,1081 3.753,1082 3.804,1083 3.628,1084 3.605,1085 6.493,1086 3.604,1087 3.615,1088 3.659,1089 3.527,1090 3.423,1091 6.4,1092 3.427,1093 3.571,1094 3.629,1095 3.447,1096 3.415,1097 4.756,1098 3.407,1099 3.447,1100 3.456,1101 3.388,1102 3.282,1103 4.708,1104 3.251,1105 0.104,1106 0.083,1107 0.159,1108 0.095,1109 0.074,1110 4.803,1111 0.099,1112 3.822,1113 0.043,1114 7.311,1115 0.272,1116 4.381,1117 0.073,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.063,1127 1.535,1128 2.084,1129 1.915,1130 1.865,1131 2.055,1132 2.045,1133 1.335,1134 2.065,1135 1.795,1136 1.787,1137 2.012,1138 1.977,1139 1.269,1140 1.994,1141 1.781,1142 1.731,1143 1.924,1144 1.955,1145 1.207,1146 1.973,1147 1.727,1148 1.679,1149 1.9,1150 1.911,1151 1.162,1152 1.918,1153 1.57,1154 1.512,1155 1.811,1156 1.776,1157 1.103,1158 1.788,1159 1.541,1160 1.494,1161 1.711,1162 1.736,1163 0.906,1164 1.755,1165 1.31,1166 1.308,1167 1.567,1168 1.55,1169 0.852,1170 1.559,1171 4.533,1173 5.832,1175 7.311,1177 8.869,1179 10.469,1180 3.916,1184 21.893,1185 7.274,1186 8.205,1187 5.278,1189 -4.677,1190 1.245,1192 54.919,1193 148.082,1194 340.01,1195 488.224,1196 540.382,1197 552.647,1198 552.647,1199 220.567,1200 7.427,1201 157.3,1202 165.68,1203 18,1204 12.724,1205 3.585,1206 3.17,1207 101.087,1208 224,1209 210,1210 0.21,1211 344.263,1212 622.38,1213 831.761,1214 15568,1216 32.114,1217 0.73,1218 0.614,1219 32.364,1220 27.013,1221 20.995,1222 0.456,1223 0.378,1224 15.881,1225 19.449,1226 15.402,1227 12.789,1228 21.816,1229 17.406,1230 18.968,1231 0.306,1232 0.229,1233 20.268,1234 14.207,1235 14.323,1236 0.194,1237 0.135,1238 15.414,1239 10.022,1240 11.239,1241 0.126,1242 0.082,1243 12.295,1244 7.318,1245 8.808,1246 0.083,1247 0.048,1248 9.772,1249 5.058,1250 0.33,1251 140.242,1252 0.184,1253 38.468,1254 0.581,1255 216,1256 630.481,1257 277.555,1258 610.987,1259 793.84,1260 562,1261 244,1262 513.5,1263 315.464,1264 550.494,1265 798.68,1266 516,1267 7.77} {0 CHEMBL84970,1 1.543,2 13.636,3 3.448,4 11.887,5 170.164,6 6.635,7 0.13,8 4.62,9 4.747,10 4.158,11 4.088,12 5.587,13 4.033,14 5.234,15 5.424,16 4.452,17 4.505,18 6.295,19 4.411,20 5.598,21 5.837,22 4.562,23 4.713,24 6.55,25 4.576,26 5.721,27 5.975,28 4.609,29 4.717,30 6.751,31 4.595,32 5.701,33 5.947,34 4.709,35 4.706,36 6.972,37 4.619,38 5.702,39 5.927,40 4.724,41 4.802,42 6.787,43 4.705,44 5.843,45 6.082,46 4.796,47 4.9,48 6.926,49 4.797,50 5.887,51 6.126,52 4.796,53 4.95,54 7.06,55 4.835,56 0.142,57 1.353,58 27.175,59 9.355,60 31.069,61 13.107,62 0.7,63 2.151,64 46.671,65 16.075,66 98.524,67 22.584,68 0.925,69 2.742,70 70.806,71 21.927,72 130.773,73 30.808,74 1.21,75 2.847,76 82.826,77 21.878,78 202.312,79 32.027,80 1.884,81 2.797,82 76.482,83 20.644,84 316.551,85 30.653,86 1.057,87 3.007,88 77.143,89 22.534,90 186.079,91 32.17,92 1.3,93 3.337,94 90.008,95 25.175,96 228.528,97 36.615,98 1.795,99 3.452,100 90.803,101 27.482,102 311.881,103 39.566,104 92,105 62,106 0.229,107 0.526,108 0.756,109 0.837,110 0.856,111 0.856,112 3.81,113 1.135,114 -3.02,115 -3.02,116 -2.91,117 33.3,118 2,119 9,120 2,123 4,125 5,130 1,131 1,135 5,136 1,145 2,154 18,156 3,160 5,162 6,163 19,166 1,167 2,169 2,170 3,171 9,174 13,178 7,182 1,183 9,186 3,189 6,190 9,192 6,193 1,194 15,197 5,201 12,204 1,205 2,206 14,208 10,212 16,215 1,217 9,220 14,223 4,224 14,226 5,227 1,228 10,231 19,236 9,240 1,241 10,243 21,246 4510,247 28.929,248 28.929,249 28.929,250 28.929,251 28.929,252 27.472,253 28.523,254 17.498,255 29.301,256 22.662,257 22.662,258 22.662,259 22.662,260 22.662,261 20.305,262 33.464,263 8.266,264 23.251,265 5.042,266 3.043,267 1.499,268 0.956,269 0.828,270 0.828,271 4.486,276 1237,277 6.285,280 585.15,285 1.93,286 77.273,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 97,297 600,298 4.803,299 3.822,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.083,308 3.668,309 6.213,310 3.928,311 2.953,312 3.469,313 1.924,314 9.249,315 2.876,316 3.965,317 3.421,318 6.086,319 3.805,320 2.823,321 3.213,322 0.86,323 8.822,324 2.766,325 3.825,326 3.024,327 5.892,328 3.646,329 2.658,330 2.975,331 0.4,332 8.151,333 2.623,334 3.695,335 2.738,336 5.697,337 3.562,338 2.574,339 2.79,340 0.349,341 7.42,342 2.536,343 3.58,344 2.724,345 5.291,346 3.374,347 2.377,348 2.586,349 0.148,350 6.737,351 2.369,352 3.336,353 2.463,354 5.278,355 3.298,356 2.314,357 2.338,359 6.618,360 2.268,361 3.125,362 2.425,363 4.912,364 2.94,365 2.013,366 2.133,368 5.345,369 1.857,370 2.936,371 2.248,372 4.394,373 2.596,374 1.618,375 2.086,377 4.233,378 1.575,379 2.852,380 1.995,381 4.089,382 2.506,383 1.508,384 1.819,386 3.491,387 1.502,388 2.534,389 1.674,390 3.85,391 2.462,392 1.459,393 1.52,395 3.164,396 1.46,397 2.5,398 1.661,399 3.642,400 2.198,401 1.254,402 1.5,404 2.905,405 1.189,406 2.494,407 1.453,408 3.574,409 2.179,410 1.204,411 1.426,413 2.764,414 1.159,415 2.298,416 1.411,417 3.517,418 2.013,419 1.095,420 1.26,422 2.582,423 1,424 2.243,425 1.387,426 3.26,427 2,428 1,429 1.204,431 2.136,432 1,433 20.767,434 0.472,435 1.177,436 0.027,437 39.75,438 0.903,439 13,440 0.295,441 26.75,442 0.608,443 61.988,444 1.409,445 53.633,446 0.559,447 39.942,448 0.908,449 6.939,450 0.158,451 14.057,452 0.319,453 0.169,454 0.04,455 0.26,459 0.732,460 1.562,461 0.95,462 1.421,463 0.733,464 1.198,465 0.712,466 1.285,467 0.989,468 1.193,469 0.593,470 1.184,471 0.94,472 1.123,473 1.121,474 1.149,475 0.907,476 1.091,477 1.248,478 1.081,479 1.108,480 1.056,481 1.364,482 0.959,483 1.066,484 0.911,485 0.849,486 0.801,487 1.189,488 0.831,489 1.308,490 1.108,491 1.079,492 1.026,493 1.334,494 1.011,495 1.304,496 1.032,497 1.063,498 0.991,499 1.386,500 0.963,501 1.071,502 0.961,503 0.98,504 0.947,505 1.172,506 0.99,507 10,508 0.475,509 5.111,510 2.813,511 2.791,512 1.729,513 1.307,514 1.274,515 0.753,516 0.548,517 29960,518 72362,519 1.951,520 54.2,521 17,522 21,525 5,527 7,528 2,529 1.831,530 1.802,531 3.706,532 2.11,535 148.082,536 1.543,537 3.542,538 5.086,539 5.629,540 5.757,541 5.757,542 3.058,543 4.959,544 5.433,545 3.924,546 3711.76,547 9.673,548 69697.1,552 632.156,553 1.582,554 5.368,555 0.217,556 0.007,557 0.082,558 0.043,559 0.042,560 0.022,561 0.017,562 0.015,563 0.009,564 0.007,565 0.463,566 0.17,567 0.63,568 1.246,569 254.011,570 0.008,571 -0.142,572 0.15,573 -0.062,574 -0.102,575 0.014,576 0.168,577 -0.059,578 -0.004,579 -0.069,580 0.125,581 -0.097,582 0.004,583 -0.036,584 -0.042,585 -0.064,586 -0.029,587 -0.066,588 -0.087,589 -0.08,591 -0.04,592 -0.096,593 0.008,594 0.213,595 0.084,596 0.138,597 0.107,598 0.211,599 0.107,600 -0.124,601 -0.029,602 -0.035,603 -0.006,604 -0.09,605 -0.016,606 -0.125,607 0.006,608 -0.021,609 0.006,610 -0.095,611 0.016,612 0.061,613 0.054,614 -0.019,615 0.022,616 0.074,617 -0.004,618 4.933,619 6.677,620 0.409,621 52.75,622 1,623 1.139,624 1.794,625 3.218,626 0.616,627 3.85,628 4.143,629 4.317,630 4.477,631 4.673,632 4.615,633 4.727,634 4.812,635 4.82,636 4.796,637 8.589,638 0.572,639 636.95,640 3.85,641 5.38,642 6.192,643 7.047,644 7.882,645 8.74,646 9.585,647 10.445,648 11.296,649 12.158,650 4.2,652 1,653 1,657 2,662 5,666 1,667 6,676 96,677 11,678 1,679 46,680 98,681 32,682 6,683 1,684 5,686 3,687 3,690 2,694 5,695 1,697 14,698 10,699 22,700 2,701 5,702 1,703 1,704 4,706 1,708 2,713 52,714 11,715 5,716 12,717 1,719 4,721 1,722 7,724 2,732 3,740 2,744 1,745 1,751 2,752 1,753 3,755 1,756 2,759 44,761 1,762 2,763 13,764 3,765 1,767 7,768 1,772 7.3,773 2,775 4,776 1,778 24.417,779 16.433,780 9.903,781 6.047,783 0.772,784 1.104,785 0.882,786 15.103,787 8.199,788 4.007,789 4.425,790 4.661,791 4.939,792 5.296,793 5.152,794 5.34,795 5.558,796 5.689,797 5.722,798 0.889,799 65,800 17.033,801 7.675,802 7.926,803 31.746,804 26.569,805 2.426,806 106.75,809 553.242,810 144.646,811 53.945,813 190.969,815 5.569,816 139.077,817 744.211,818 53.945,819 17.65,820 87.995,821 164.198,822 115.012,823 4.704,825 553.242,827 553.242,828 193.022,829 190.969,830 5.569,831 447.302,832 200.543,833 96.367,835 107.802,836 75.743,837 15.045,839 553.242,840 244.914,841 144.646,843 5.569,844 553.242,845 48.802,846 76.026,847 52.426,848 206.736,849 553.242,850 244.914,851 144.646,852 0.574,853 0.324,854 0.161,855 0.093,856 23,857 13,858 0.173,859 17,861 1,862 4.978,863 434.214,865 18,866 224.215,869 1,870 36.468,871 18.222,872 12.037,874 244.914,875 9.06,879 0.751,880 137.793,881 942.802,882 54,883 3.746,884 -4.016,885 53.761,887 1.518,889 -1.14,891 95.981,892 109.344,893 0.234,894 0.538,895 0.772,896 0.855,897 0.874,898 0.874,899 5.265,900 2.013,901 6.188,902 6.618,903 4.828,904 5.112,905 2.772,906 6.978,907 4.781,908 6.417,909 1.618,910 7.747,911 5.345,912 4.511,913 5.066,914 2.179,915 8.046,916 4.462,917 7.71,918 1.508,919 9.42,920 4.233,921 6.438,922 7.129,923 3.72,924 11.067,925 6.354,926 9.04,927 1.459,928 11.164,929 3.491,930 6.938,931 7.98,932 3.785,933 13.004,934 6.852,935 10.415,936 1.254,937 12.956,938 3.164,939 8.374,940 9.627,941 4.897,942 15.626,943 8.258,944 11.822,945 1.204,946 14.783,947 2.905,948 9.238,949 10.859,950 5.247,951 17.914,952 9.114,953 13.255,954 1.095,955 16.637,956 2.764,957 10.494,958 12.398,959 6.158,960 20.44,961 10.346,962 3.397,963 1,964 18.512,965 2.582,966 11.528,967 13.79,968 6.653,969 22.871,970 11.369,971 2.953,972 12.526,973 20.404,974 2.136,975 12.725,976 15.305,977 7.458,978 25.383,979 12.545,980 2.823,981 9.249,982 22.311,983 4.56,984 13.841,985 16.764,986 8.032,987 27.869,988 13.647,989 2.658,990 8.822,991 24.231,992 3.469,993 15.025,994 18.276,995 8.779,996 30.385,997 14.813,998 2.574,999 8.151,1000 26.162,1001 3.213,1002 16.183,1003 19.766,1004 9.396,1005 32.895,1006 15.956,1007 2.377,1008 7.42,1009 28.102,1010 2.975,1011 17.37,1012 21.279,1013 10.11,1014 35.415,1015 17.127,1016 2.314,1017 6.737,1018 30.05,1019 2.79,1020 18.551,1021 22.783,1022 10.752,1023 37.934,1024 18.292,1025 29652,1026 46492,1027 29.413,1028 59.126,1029 67.889,1030 70.152,1031 69.764,1032 67.439,1033 67.456,1034 77.143,1035 11.332,1036 187.061,1037 65.753,1038 5.803,1039 5.822,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 27.384,1048 1.476,1049 1.525,1050 1.517,1051 1.466,1052 1.466,1053 1.677,1054 0.246,1055 4.067,1056 1.429,1057 4.053,1058 4.066,1059 4.723,1060 3.952,1061 7.717,1062 3.903,1063 3.934,1064 3.972,1065 3.871,1066 3.835,1067 7.433,1068 3.804,1069 3.893,1070 3.917,1071 3.805,1072 3.815,1073 7.423,1074 3.771,1075 3.797,1076 3.848,1077 3.687,1078 3.658,1079 6.999,1080 3.652,1081 3.755,1082 3.804,1083 3.633,1084 3.605,1085 6.461,1086 3.605,1087 3.616,1088 3.66,1089 3.527,1090 3.423,1091 6.436,1092 3.427,1093 3.571,1094 3.629,1095 3.453,1096 3.415,1097 4.756,1098 3.407,1099 3.447,1100 3.456,1101 3.389,1102 3.282,1103 4.708,1104 3.251,1105 0.104,1106 0.083,1107 0.159,1108 0.095,1109 0.074,1110 4.803,1111 0.099,1112 3.822,1113 0.043,1114 7.311,1115 0.272,1116 4.381,1117 0.073,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.865,1131 2.055,1132 2.045,1133 1.331,1134 2.065,1135 1.795,1136 1.787,1137 2.003,1138 1.977,1139 1.269,1140 1.994,1141 1.779,1142 1.731,1143 1.923,1144 1.956,1145 1.207,1146 1.972,1147 1.726,1148 1.678,1149 1.9,1150 1.912,1151 1.156,1152 1.917,1153 1.571,1154 1.512,1155 1.819,1156 1.776,1157 1.102,1158 1.789,1159 1.541,1160 1.494,1161 1.711,1162 1.736,1163 0.906,1164 1.755,1165 1.311,1166 1.308,1167 1.586,1168 1.547,1169 0.882,1170 1.56,1171 4.533,1173 5.832,1175 7.311,1177 8.867,1179 10.462,1180 3.752,1184 21.591,1185 7.17,1186 8.259,1187 5.279,1189 -4.23,1190 1.249,1192 54.919,1193 148.082,1194 340.01,1195 488.224,1196 540.382,1197 552.647,1198 552.647,1199 220.92,1200 7.427,1201 157.3,1202 165.68,1203 18,1204 12.709,1205 3.585,1206 3.17,1207 101.091,1208 225,1209 210,1210 0.209,1211 344.263,1212 622.38,1213 831.761,1214 15618,1216 32.114,1217 0.73,1218 0.614,1219 32.364,1220 27.013,1221 20.995,1222 0.456,1223 0.378,1224 15.881,1225 19.445,1226 15.404,1227 12.775,1228 21.816,1229 17.406,1230 18.936,1231 0.305,1232 0.228,1233 20.237,1234 14.134,1235 14.525,1236 0.196,1237 0.138,1238 15.616,1239 10.22,1240 10.903,1241 0.125,1242 0.082,1243 11.959,1244 7.14,1245 8.896,1246 0.084,1247 0.048,1248 9.86,1249 5.11,1250 0.328,1251 140.242,1252 0.184,1253 38.5,1254 0.577,1255 216,1256 630.481,1257 277.555,1258 610.902,1259 793.72,1260 562,1261 244,1262 513.5,1263 315.022,1264 550.303,1265 797.18,1266 516,1267 8.699} {0 CHEMBL87025,1 1.626,2 14.915,3 3.564,4 12.704,5 188.49,6 7.203,7 0.12,8 4.661,9 4.778,10 4.313,11 4.193,12 5.611,13 4.114,14 5.281,15 5.454,16 4.654,17 4.636,18 6.329,19 4.502,20 5.633,21 5.864,22 4.726,23 4.805,24 6.567,25 4.645,26 5.719,27 5.959,28 4.706,29 4.789,30 6.741,31 4.649,32 5.721,33 5.948,34 4.823,35 4.771,36 7.005,37 4.678,38 5.745,39 5.97,40 4.837,41 4.876,42 6.803,43 4.762,44 5.868,45 6.094,46 4.909,47 4.969,48 6.959,49 4.853,50 5.911,51 6.138,52 4.961,53 5.029,54 7.084,55 4.9,56 0.148,57 1.448,58 28.02,59 10.539,60 29.897,61 13.574,62 0.735,63 2.407,64 57.599,65 19.88,66 96.447,67 24.377,68 1.038,69 3.035,70 82.627,71 25.829,72 127.49,73 32.859,74 1.159,75 3.122,76 92.357,77 25.895,78 181.996,79 33.568,80 2.009,81 3.041,82 82.687,83 23.258,84 320.675,85 31.472,86 1.093,87 3.309,88 85.653,89 25.822,90 177.006,91 34.36,92 1.392,93 3.627,94 99.398,95 29.243,96 234.477,97 38.189,98 1.942,99 3.794,100 100.407,101 30.953,102 312.782,103 40.859,104 52,105 67,106 0.24,107 0.536,108 0.758,109 0.846,110 0.864,111 0.864,112 3.874,113 1.224,114 -3.21,115 -3.2,116 -3.07,117 33.3,119 10,120 1,123 6,125 5,126 1,130 1,131 1,135 5,136 1,145 2,154 16,156 3,160 5,162 5,163 20,166 1,167 2,169 2,170 3,171 9,174 13,178 7,182 1,183 8,186 3,189 6,190 9,192 6,193 1,194 15,197 5,201 12,204 1,205 2,206 14,208 9,212 15,215 1,217 10,220 12,223 4,224 14,226 5,227 1,228 10,231 17,236 9,240 1,241 10,243 20,246 5437,247 31.498,248 31.498,249 31.498,250 31.498,251 31.498,252 30.041,253 30.982,254 19.21,255 32.292,256 24.682,257 24.682,258 24.682,259 24.682,260 24.682,261 22.325,262 34.699,263 9.112,264 25.979,265 5.003,266 2.995,267 1.486,268 0.892,269 0.768,270 0.768,271 4.562,276 1479,277 6.083,280 832.45,285 2.059,286 79.852,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 103,297 701,298 4.803,299 4.971,300 7.311,301 4.381,302 3.397,303 4.56,304 4.773,305 12.526,306 3.342,307 4.084,308 3.822,309 6.221,310 3.929,311 2.96,312 3.469,313 1.984,314 9.276,315 2.874,316 3.968,317 3.725,318 6.113,319 3.807,320 2.844,321 3.213,322 1.924,323 8.897,324 2.758,325 3.853,326 3.668,327 5.982,328 3.657,329 2.727,330 2.978,331 1.823,332 8.466,333 2.61,334 3.738,335 3.421,336 5.849,337 3.578,338 2.607,339 2.838,340 0.86,341 8.04,342 2.46,343 3.634,344 3.047,345 5.294,346 3.377,347 2.389,348 2.663,349 0.4,350 6.763,351 2.365,352 3.371,353 2.916,354 5.285,355 3.313,356 2.336,357 2.372,358 0.349,359 6.693,360 2.217,361 3.126,362 2.734,363 4.912,364 2.941,365 2.014,366 2.133,367 0.148,368 5.347,369 1.857,370 2.939,371 2.464,372 4.488,373 2.719,374 1.811,375 2.086,377 4.578,378 1.623,379 2.87,380 2.463,381 4.241,382 2.553,383 1.572,384 1.858,386 3.874,387 1.533,388 2.771,389 2.256,390 3.965,391 2.476,392 1.491,393 1.747,395 3.315,396 1.461,397 2.506,398 2.115,399 3.781,400 2.462,401 1.459,402 1.5,404 3.154,405 1.458,406 2.5,407 1.995,408 3.642,409 2.188,410 1.254,411 1.489,413 2.893,414 1.168,415 2.485,416 1.674,417 3.545,418 2.114,419 1.167,420 1.426,422 2.718,423 1.088,424 2.277,425 1.593,426 3.514,427 2.011,428 1.093,429 1.232,431 2.581,432 1,433 22.933,434 0.488,435 1.101,436 0.023,437 41.75,438 0.888,439 13,440 0.277,441 28.75,442 0.612,443 70.462,444 1.499,445 56.267,446 0.568,447 38.763,448 0.825,449 6.41,450 0.136,451 16.247,452 0.346,453 0.109,454 0.036,455 0.235,459 0.728,460 1.408,461 0.859,462 1.199,463 0.715,464 1.105,465 0.728,466 1.262,467 1.096,468 1.205,469 0.591,470 1.193,471 0.933,472 1.078,473 1.094,474 1.11,475 0.906,476 1.057,477 1.2,478 1.124,479 1.139,480 1.116,481 1.316,482 0.998,483 1.185,484 0.915,485 0.806,486 0.783,487 1.328,488 0.863,489 1.222,490 1.066,491 0.943,492 0.953,493 1.262,494 0.969,495 1.385,496 1.022,497 1.006,498 0.945,499 1.484,500 0.951,501 1.139,502 0.927,503 0.906,504 0.871,505 1.235,506 0.971,507 9.5,508 0.45,509 5.111,510 3,511 2.822,512 1.882,513 1.308,514 1.243,515 0.769,516 0.517,517 37886,518 97088,519 2.013,520 52.5,521 11,522 25,523 1,525 5,527 6,528 4,529 1.846,530 1.886,531 3.817,532 2.087,535 161.012,536 1.626,537 3.634,538 5.143,539 5.738,540 5.862,541 5.862,542 3.185,543 5.172,544 5.528,545 4.018,546 4342.98,547 9.862,548 85444.8,552 656.306,553 1.463,554 5.481,555 0.19,556 0.006,557 0.076,558 0.043,559 0.04,560 0.023,561 0.016,562 0.014,563 0.008,564 0.006,565 0.422,566 0.17,567 0.63,568 0.764,569 276.889,570 0.005,571 -0.084,572 0.14,573 0.006,574 -0.09,575 0.039,576 0.146,577 -0.055,578 -0.026,579 -0.057,580 0.118,581 -0.121,582 0.013,583 -0.013,584 -0.031,585 -0.051,586 -0.027,587 -0.046,588 -0.077,589 -0.109,590 -0.065,591 -0.097,592 -0.074,593 -0.024,594 0.186,595 0.066,596 0.075,597 0.064,598 0.185,599 0.055,600 -0.09,601 -0.035,602 -0.009,603 -0.015,604 -0.062,606 -0.144,607 -0.017,608 -0.043,609 -0.001,610 -0.106,611 0.009,612 0.042,613 0.074,614 -0.008,615 0.039,616 0.058,617 -0.01,618 4.939,619 6.81,620 0.511,621 59.744,622 1.001,623 1.133,624 1.979,625 3.918,626 0.641,627 3.932,628 4.22,629 4.419,630 4.605,631 4.796,632 4.727,633 4.844,634 4.92,635 4.97,636 4.977,637 9.057,638 0.589,639 713.1,640 3.932,641 5.46,642 6.279,643 7.133,644 7.971,645 8.83,646 9.676,647 10.537,648 11.388,649 12.251,650 4,652 1,653 1,657 2,662 5,666 1,667 6,676 99,677 11,678 1,679 50,680 102,681 33,682 6,683 1,684 5,686 4,687 4,694 6,695 1,697 15,698 10,699 23,700 1,701 5,702 1,703 1,704 4,706 1,708 2,713 52,714 11,715 5,716 14,717 3,719 4,721 1,722 7,724 2,732 4,740 2,744 1,745 1,751 2,752 1,753 4,754 2,755 3,759 47,761 1,762 2,763 16,764 3,765 1,766 2,767 7,768 1,772 7.1,773 2,775 4,776 1,778 24.917,779 16.267,780 10.569,781 6.158,783 0.71,784 1.092,785 0.897,786 16.201,787 8.387,788 4.078,789 4.483,790 4.734,791 5.021,792 5.363,793 5.219,794 5.405,795 5.611,796 5.76,797 5.804,798 0.9,799 70,800 18.202,801 8.267,802 7.86,803 34.259,804 29.162,805 2.36,806 110.917,809 553.242,810 195.768,811 53.945,813 190.969,815 70.008,816 125.76,817 744.211,818 53.945,820 92.329,821 164.198,822 115.012,823 4.704,824 11.771,825 605.91,827 553.242,828 179.705,829 190.969,830 70.008,831 435.531,832 212.314,833 96.367,835 94.486,836 75.743,837 15.045,838 64.439,839 553.242,840 244.914,841 195.768,843 5.569,844 553.242,845 117.575,846 58.376,847 52.426,848 206.736,849 553.242,850 244.914,851 195.768,852 0.57,853 0.326,854 0.171,855 0.096,856 26,857 13,858 0.167,859 17,861 1,862 5.291,863 482.799,865 24,866 243.066,867 2,869 1,870 38.502,871 19.777,872 12.515,874 244.914,875 9.093,879 0.755,880 137.793,881 993.924,882 58,883 3.774,884 -4.022,885 54.143,887 1.53,889 -1.123,891 99.134,892 112.184,893 0.245,894 0.548,895 0.776,896 0.866,897 0.884,898 0.884,899 5.335,900 2.014,901 6.26,902 6.693,903 4.905,904 5.17,905 4.222,906 7.045,907 4.819,908 6.471,909 1.811,910 7.809,911 5.347,912 4.511,913 5.066,914 2.179,915 8.084,916 4.426,917 7.756,918 1.572,919 9.474,920 4.578,921 6.503,922 7.162,923 7.004,924 11.121,925 6.359,926 9.079,927 1.491,928 11.212,929 3.874,930 6.957,931 7.987,932 3.785,933 13.046,934 6.819,935 10.449,936 1.459,937 13,938 3.315,939 8.427,940 9.643,941 10.08,942 15.667,943 8.244,944 11.851,945 1.254,946 14.824,947 3.154,948 9.267,949 10.865,950 5.247,951 17.946,952 9.086,953 13.281,954 1.167,955 16.676,956 2.893,957 10.539,958 12.405,959 13.199,960 20.468,961 10.326,962 3.397,963 1.093,964 18.549,965 2.718,966 11.561,967 13.793,968 6.653,969 22.891,970 11.346,971 2.96,972 12.526,973 20.439,974 2.581,975 12.763,976 15.308,977 16.324,978 25.399,979 12.526,980 2.844,981 9.276,982 22.344,983 4.56,984 13.872,985 16.766,986 8.032,987 27.881,988 13.629,989 2.727,990 8.897,991 24.262,992 3.469,993 15.056,994 18.277,995 19.449,996 30.394,997 14.798,998 2.607,999 8.466,1000 26.19,1001 3.213,1002 16.21,1003 19.767,1004 9.396,1005 32.901,1006 15.942,1007 2.389,1008 8.04,1009 28.127,1010 2.978,1011 17.395,1012 21.279,1013 22.575,1014 35.419,1015 17.115,1016 2.336,1017 6.763,1018 30.073,1019 2.838,1020 18.573,1021 22.783,1022 10.752,1023 37.937,1024 18.282,1025 36514,1026 58770,1027 32.879,1028 63.421,1029 73.575,1030 81.117,1031 75.173,1032 73.162,1033 73.253,1034 82.94,1035 24.524,1036 201.9,1037 69.761,1038 5.803,1039 6.971,1040 7.113,1041 5.596,1042 5.397,1043 7.56,1044 9.546,1045 19.921,1046 5.342,1047 24.772,1048 1.471,1049 1.622,1050 1.503,1051 1.463,1052 1.465,1053 1.659,1054 0.49,1055 4.038,1056 1.395,1057 4.053,1058 4.066,1059 4.723,1060 3.954,1061 7.717,1062 3.904,1063 3.934,1064 3.971,1065 4.131,1066 3.839,1067 7.433,1068 3.805,1069 3.893,1070 3.917,1071 3.863,1072 3.824,1073 7.423,1074 3.771,1075 3.795,1076 3.841,1077 3.795,1078 3.754,1079 6.999,1080 3.673,1081 3.754,1082 3.789,1083 3.687,1084 3.625,1085 6.461,1086 3.621,1087 3.632,1088 3.681,1089 3.546,1090 3.501,1091 6.436,1092 3.483,1093 3.604,1094 3.644,1095 3.521,1096 3.418,1097 4.756,1098 3.421,1099 3.447,1100 3.48,1101 3.409,1102 3.283,1103 4.708,1104 3.255,1105 0.096,1106 0.099,1107 0.146,1108 0.088,1109 0.068,1110 4.803,1111 0.091,1112 4.971,1113 0.095,1114 7.311,1115 0.251,1116 4.381,1117 0.067,1118 3.397,1119 4.56,1120 4.773,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.062,1127 1.536,1128 2.083,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.336,1134 2.065,1135 1.795,1136 1.787,1137 1.938,1138 1.977,1139 1.269,1140 1.994,1141 1.764,1142 1.731,1143 1.901,1144 1.939,1145 1.226,1146 1.946,1147 1.724,1148 1.684,1149 1.891,1150 1.872,1151 1.206,1152 1.898,1153 1.618,1154 1.568,1155 1.824,1156 1.772,1157 1.119,1158 1.814,1159 1.542,1160 1.498,1161 1.711,1162 1.741,1163 1.009,1164 1.757,1165 1.398,1166 1.339,1167 1.659,1168 1.616,1169 0.906,1170 1.631,1171 4.615,1173 5.911,1175 7.393,1177 8.954,1179 10.554,1184 22.36,1185 10.274,1186 8.353,1187 5.296,1188 3.414,1189 -4.186,1190 1.256,1192 58.294,1193 161.012,1194 359.811,1195 509.187,1196 568.042,1197 580.306,1198 580.306,1199 203.589,1200 7.677,1201 157.3,1202 216.28,1203 24,1204 12.802,1205 3.585,1206 3.17,1207 93.846,1208 253,1209 262,1210 0.171,1211 368.723,1212 664.34,1213 891.445,1214 22080,1216 33.65,1217 0.716,1218 0.629,1219 34.607,1220 29.583,1221 22.657,1222 0.453,1223 0.408,1224 16.959,1225 20.229,1226 16.367,1227 13.416,1228 24.386,1229 20.398,1230 20.09,1231 0.3,1232 0.256,1233 22.63,1234 17.15,1235 15.841,1236 0.193,1237 0.168,1238 18.466,1239 13.768,1240 12.526,1241 0.127,1242 0.107,1243 14.988,1244 10.605,1245 10.088,1246 0.084,1247 0.067,1248 12.321,1249 8.006,1250 0.269,1251 159.295,1252 0.174,1253 40.663,1254 0.468,1255 234,1256 678.202,1257 345.699,1258 694.761,1259 904.28,1260 644,1261 266,1262 558.929,1263 374.877,1264 614.826,1265 900.42,1266 578,1267 8.658} {0 CHEMBL88340,1 1.711,2 16.904,3 2.295,4 5.269,5 190.307,6 7.142,7 0.109,8 4.741,9 4.865,10 4.328,11 4.176,12 5.75,13 4.151,14 5.37,15 5.555,16 4.657,17 4.587,18 6.566,19 4.532,20 5.713,21 5.946,22 4.785,23 4.792,24 6.912,25 4.691,26 5.796,27 6.04,28 4.788,29 4.794,30 6.924,31 4.703,32 5.813,33 6.053,34 4.867,35 4.772,36 7.146,37 4.722,38 5.791,39 6.009,40 4.942,41 4.847,42 7.066,43 4.801,44 5.914,45 6.129,46 5.031,47 4.933,48 7.192,49 4.898,50 5.974,51 6.191,52 5.014,53 4.977,54 7.329,55 4.933,56 0.244,57 1.641,58 27.86,59 9.88,60 45.25,61 13.52,62 1.28,63 2.719,64 52.049,65 16.751,66 165.757,67 23.203,68 2.177,69 3.207,70 80.416,71 23.112,72 302.468,73 32.277,74 1.93,75 3.339,76 90.028,77 23.381,78 294.251,79 33.508,80 2.749,81 3.386,82 87.268,83 22.042,84 419.628,85 31.488,86 2.157,87 3.624,88 85.126,89 23.325,90 326.47,91 32.05,92 2.431,93 4.124,94 98.311,95 25.854,96 376.636,97 34.985,98 3.138,99 4.42,100 102.444,101 27.899,102 488.069,103 36.897,104 84,105 75,106 0.249,107 0.53,108 0.735,109 0.832,110 0.86,111 0.86,112 3.973,113 1.069,114 -1.95,115 -2,116 -2,117 33,119 8,120 1,123 10,125 4,128 1,130 1,131 1,135 5,136 1,145 3,154 16,156 3,160 6,162 3,163 17,166 2,167 2,169 3,170 3,171 6,174 10,178 7,181 1,182 1,183 8,186 2,189 7,190 9,192 7,193 1,194 12,197 2,201 13,204 2,205 2,206 11,208 4,211 1,212 17,215 2,217 9,220 8,223 5,224 15,226 7,227 1,228 9,231 11,236 12,240 1,241 7,243 12,246 7238,247 34.462,248 34.462,249 34.462,250 34.462,251 34.462,252 32.888,253 39.012,254 20.818,255 35.23,256 27.095,257 27.095,258 27.095,259 27.095,260 27.095,261 24.485,262 46.267,263 9.833,264 28.317,265 5.017,266 3.081,267 1.667,268 1.002,269 0.811,270 0.811,271 4.657,276 1845,277 6.708,280 945.432,285 2.519,286 112.925,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 118,297 879,298 4.803,299 4.441,300 7.668,301 4.428,302 3.517,303 4.56,304 2.718,305 13.509,306 3.342,307 4.571,308 3.821,309 7.311,310 4.381,311 3.397,312 3.669,313 1.984,314 12.526,315 3.188,316 4.07,317 3.666,318 6.179,319 3.878,320 2.894,321 3.469,322 1.924,323 9.109,324 2.841,325 3.936,326 3.421,327 6.015,328 3.706,329 2.718,330 3.201,331 1.232,332 8.514,333 2.68,334 3.745,335 3.113,336 5.844,337 3.577,338 2.583,339 2.948,340 0.86,341 7.902,342 2.564,343 3.611,344 2.883,345 5.343,346 3.436,347 2.521,348 2.649,349 0.86,350 6.968,351 2.367,352 3.521,353 2.736,354 5.316,355 3.369,356 2.369,357 2.521,358 0.8,359 6.734,360 2.305,361 3.316,362 2.698,363 5.289,364 3.214,365 2.236,366 2.338,367 0.4,368 6.559,369 2.176,370 3.126,371 2.463,372 4.915,373 2.94,374 2.013,375 2.133,376 0.349,377 5.344,378 1.857,379 2.95,380 2.354,381 4.777,382 2.7,383 1.759,384 2.087,385 0.148,386 4.609,387 1.64,388 2.9,389 2.233,390 4.255,391 2.535,392 1.545,393 1.907,394 0.083,395 3.83,396 1.525,397 2.779,398 2.175,399 3.928,400 2.462,401 1.496,402 1.729,404 3.217,405 1.46,406 2.538,407 1.995,408 3.755,409 2.422,410 1.459,411 1.527,413 3.165,414 1.384,415 2.5,416 1.674,417 3.642,418 2.306,419 1.36,420 1.5,422 3.035,423 1.257,424 2.498,425 1.522,426 3.63,427 2.187,428 1.254,429 1.43,431 2.869,432 1.165,433 23.971,434 0.461,435 1.357,436 0.026,437 48,438 0.923,439 14.5,440 0.279,441 33.5,442 0.644,443 72.538,444 1.395,445 63.629,446 0.6,447 55.591,448 1.069,449 9.196,450 0.177,451 15.705,452 0.302,453 0.128,454 0.056,455 0.221,456 2,459 0.672,460 1.478,461 0.853,462 1.453,463 0.625,464 1.182,465 0.766,466 1.177,467 0.96,468 1.159,469 0.579,470 1.145,471 0.786,472 0.969,473 1.056,474 1.084,475 0.744,476 1.05,477 1.063,478 1.111,479 1.087,480 1.137,481 1.222,482 1.023,483 1.187,484 1.006,485 0.922,486 0.804,487 1.325,488 0.836,489 1.212,490 1.13,491 1.024,492 1.004,493 1.295,494 0.951,495 1.473,496 1.233,497 1.107,498 1.033,499 1.66,500 0.96,501 1.547,502 1.248,503 1.164,504 0.963,505 1.729,506 1.004,507 11.5,508 0.504,509 6.444,510 3.75,511 3.102,512 2.264,513 1.898,514 1.535,515 1.004,516 0.645,517 50059,518 139408,519 1.985,520 50.9,521 11,522 32,525 5,527 6,529 1.868,530 1.846,531 3.953,532 2.045,535 181.361,536 1.711,537 3.647,538 5.061,539 5.725,540 5.917,541 5.917,542 3.426,543 5.147,544 5.67,545 4.183,546 5546.47,547 10.146,548 117176,552 713.16,553 1.551,554 5.615,555 0.209,556 0.006,557 0.086,558 0.047,559 0.039,560 0.025,561 0.02,562 0.015,563 0.01,564 0.007,565 0.463,566 0.17,567 0.63,568 0.767,569 315.913,570 -0.014,571 -0.198,572 0.135,573 -0.111,574 -0.07,575 -0.007,576 0.119,577 -0.029,578 -0.013,579 -0.065,580 0.139,581 -0.097,582 0.145,583 0.077,584 -0.002,585 -0.015,586 0.141,587 -0.038,588 -0.053,589 -0.1,590 -0.008,591 -0.091,592 -0.076,593 -0.029,594 0.04,595 0.039,596 0.075,597 0.106,598 0.04,599 0.097,600 -0.045,601 0.003,602 0.016,603 0.017,604 -0.026,605 0.029,606 -0.162,607 -0.062,608 -0.039,609 -0.013,610 -0.16,611 0.009,612 -0.128,613 0.045,614 -0.138,615 0.017,616 -0.115,617 -0.049,618 5.493,619 7.604,620 0.462,621 75.623,622 1.013,623 1.148,624 0.719,625 0.518,626 0.615,627 4.025,628 4.331,629 4.533,630 4.682,631 4.852,632 4.82,633 4.934,634 5.004,635 5.05,636 5.043,637 9.913,638 0.585,639 757.02,640 4.025,641 5.565,642 6.389,643 7.249,644 8.093,645 8.959,646 9.813,647 10.683,648 11.542,649 12.415,650 5.7,652 1,653 2,657 3,662 5,666 1,667 6,676 106,677 12,678 1,679 55,680 109,681 35,682 6,683 1,684 5,686 4,687 4,692 1,694 5,695 1,697 13,698 11,699 24,700 1,701 6,702 1,703 1,704 5,706 1,708 3,712 2,713 54,714 16,715 5,716 17,717 1,719 6,721 1,722 8,724 1,732 4,740 3,744 1,745 1,749 1,751 1,752 2,753 4,755 1,758 2,759 52,761 1,762 1,763 18,764 4,765 2,767 5,768 2,769 1,771 2,772 7.5,773 1,775 5,776 2,778 28.167,779 17.636,780 11.625,781 6.533,783 0.693,784 1.089,785 0.912,786 16.881,787 8.521,788 4.174,789 4.59,790 4.85,791 5.091,792 5.409,793 5.307,794 5.487,795 5.671,796 5.825,797 5.857,798 1,799 80,800 20.695,801 10.054,802 8.106,803 36.903,804 30.83,805 2.606,806 135.5,809 576.784,810 148.597,811 75.08,813 184.431,814 29.92,815 5.569,816 143.028,817 761.215,818 105,820 121.079,821 121.515,822 155.861,823 39.573,825 576.784,827 576.784,828 218.108,829 214.351,830 5.569,831 506.157,832 220.295,833 64.683,834 1.824,835 126.36,836 80.448,837 15.045,839 606.704,840 259.511,841 148.597,843 5.569,844 578.608,845 68.58,846 61.5,847 70.437,848 230.118,849 576.784,850 289.431,851 148.597,852 0.576,853 0.331,854 0.166,855 0.09,856 29,857 15,858 0.174,859 19,861 1,862 5.595,863 554.113,865 24,866 276.423,869 1,870 42.212,871 20.795,872 13.08,874 289.431,875 8.72,879 0.651,880 113.121,881 1014.81,882 64,883 3.662,884 -4.141,885 66.869,887 1.359,889 -3.355,891 107.421,892 121.644,893 0.254,894 0.542,895 0.752,896 0.851,897 0.879,898 0.879,899 5.445,900 2.236,901 6.395,902 6.734,903 5.017,904 5.278,905 3.501,906 7.223,907 4.936,908 6.602,909 2.013,910 7.98,911 6.559,912 4.745,913 5.239,914 3.111,915 8.468,916 4.615,917 7.907,918 1.759,919 9.693,920 5.344,921 6.678,922 7.29,923 4.73,924 11.513,925 6.516,926 9.253,927 1.545,928 11.489,929 4.609,930 7.266,931 8.15,932 5.16,933 13.634,934 7.044,935 10.646,936 1.496,937 13.341,938 3.83,939 8.712,940 9.775,941 6.356,942 16.319,943 8.452,944 12.07,945 1.459,946 15.234,947 3.217,948 9.668,949 11.002,950 7.12,951 18.74,952 9.343,953 13.52,954 1.36,955 17.156,956 3.165,957 10.953,958 12.519,959 8.174,960 21.343,961 10.581,962 3.517,963 1.254,964 19.1,965 3.035,966 12.068,967 13.898,968 9.076,969 23.866,970 11.63,971 3.397,972 13.509,973 21.062,974 2.869,975 13.305,976 15.396,977 10.086,978 26.451,979 12.814,980 2.894,981 12.526,982 23.036,983 4.56,984 14.488,985 16.842,986 11.044,987 29.011,988 13.933,989 2.718,990 9.109,991 25.021,992 3.669,993 15.716,994 18.34,995 12.043,996 31.593,997 15.105,998 2.583,999 8.514,1000 27.013,1001 3.469,1002 16.929,1003 19.819,1004 13.024,1005 34.167,1006 16.256,1007 2.521,1008 7.902,1009 29.013,1010 3.201,1011 18.16,1012 21.322,1013 14.021,1014 36.751,1015 17.429,1016 2.369,1017 6.968,1018 31.017,1019 2.948,1020 19.388,1021 22.819,1022 15.013,1023 39.332,1024 18.597,1025 48401,1026 81108,1027 35.652,1028 65.228,1029 81.359,1030 84.166,1031 83.246,1032 80.862,1033 80.83,1034 91.552,1035 22.718,1036 227.734,1037 77.395,1038 5.803,1039 6.441,1040 7.47,1041 5.531,1042 5.517,1043 7.56,1044 4.391,1045 21.662,1046 5.342,1047 29.902,1048 1.479,1049 1.53,1050 1.514,1051 1.47,1052 1.47,1053 1.665,1054 0.413,1055 4.141,1056 1.407,1057 4.055,1058 4.071,1059 4.723,1060 3.952,1061 8.361,1062 3.904,1063 3.94,1064 3.975,1065 3.887,1066 3.834,1067 7.999,1068 3.803,1069 3.893,1070 3.917,1071 3.823,1072 3.812,1073 7.717,1074 3.771,1075 3.824,1076 3.886,1077 3.708,1078 3.639,1079 7.433,1080 3.646,1081 3.786,1082 3.836,1083 3.687,1084 3.596,1085 7.423,1086 3.61,1087 3.723,1088 3.763,1089 3.652,1090 3.524,1091 7.421,1092 3.543,1093 3.612,1094 3.65,1095 3.528,1096 3.418,1097 6.999,1098 3.422,1099 3.515,1100 3.58,1101 3.433,1102 3.299,1103 6.444,1104 3.313,1105 0.087,1106 0.081,1107 0.139,1108 0.081,1109 0.064,1110 4.803,1111 0.083,1112 4.441,1113 0.049,1114 7.668,1115 0.246,1116 4.428,1117 0.061,1118 3.517,1119 4.56,1120 2.718,1121 13.509,1122 3.342,1123 1.931,1124 1.905,1125 2.125,1126 2.063,1127 1.533,1128 2.082,1129 1.912,1130 1.862,1131 2.055,1132 2.045,1133 1.269,1134 2.065,1135 1.795,1136 1.787,1137 1.965,1138 1.997,1139 1.262,1140 1.994,1141 1.754,1142 1.702,1143 1.927,1144 1.977,1145 1.209,1146 1.991,1147 1.737,1148 1.682,1149 1.9,1150 1.938,1151 1.195,1152 1.934,1153 1.642,1154 1.6,1155 1.826,1156 1.867,1157 1.108,1158 1.847,1159 1.542,1160 1.498,1161 1.716,1162 1.751,1163 0.971,1164 1.758,1165 1.462,1166 1.397,1167 1.711,1168 1.71,1169 0.906,1170 1.717,1171 4.71,1173 6.019,1175 7.517,1177 9.095,1179 10.715,1182 31.209,1184 11.082,1185 7.083,1186 9.782,1187 10.546,1189 -6.864,1190 3.141,1191 -4.243,1192 61.97,1193 181.361,1194 386.606,1195 536.491,1196 606.895,1197 627.16,1198 627.16,1199 259.346,1200 7.828,1201 178.64,1202 187.02,1203 24,1204 12.959,1205 3.7,1206 3.322,1207 110.625,1208 305,1209 366,1210 0.167,1211 382.7,1212 702.21,1213 925.548,1214 27375,1215 1.9,1216 37.564,1217 0.722,1218 0.586,1219 36.021,1220 30.466,1221 24.901,1222 0.453,1223 0.356,1224 17.931,1225 22.855,1226 17.6,1227 14.4,1228 24.961,1229 19.594,1230 22.448,1231 0.299,1232 0.204,1233 22.556,1234 15.297,1235 17.963,1236 0.195,1237 0.124,1238 17.542,1239 11.375,1240 13.412,1241 0.125,1242 0.075,1243 14.084,1244 8.067,1245 10.513,1246 0.083,1247 0.044,1248 11.317,1249 5.58,1250 0.264,1251 167.243,1252 0.167,1253 44.173,1254 0.454,1255 260,1256 946.003,1257 339.014,1258 845.532,1259 1083.52,1260 780,1261 297,1262 696.97,1263 386.424,1264 715.881,1265 1057.46,1266 672,1267 7.678} {0 CHEMBL88356,1 1.556,2 13.558,3 3.128,4 9.787,5 165.692,6 6.698,7 0.133,8 4.591,9 4.717,10 4.14,11 4.058,12 5.563,13 4.006,14 5.204,15 5.391,16 4.427,17 4.471,18 6.277,19 4.378,20 5.565,21 5.807,22 4.53,23 4.671,24 6.515,25 4.536,26 5.662,27 5.911,28 4.591,29 4.674,30 6.707,31 4.559,32 5.664,33 5.904,34 4.686,35 4.673,36 6.953,37 4.59,38 5.67,39 5.896,40 4.699,41 4.772,42 6.753,43 4.676,44 5.809,45 6.045,46 4.774,47 4.864,48 6.904,49 4.765,50 5.848,51 6.083,52 4.757,53 4.907,54 7.036,55 4.793,56 0.146,57 1.315,58 26.287,59 9.012,60 30.723,61 12.598,62 0.702,63 2.083,64 45.162,65 15.481,66 96.714,67 21.716,68 0.971,69 2.636,70 68.953,71 21.018,72 132.936,73 29.517,74 1.155,75 2.722,76 78.595,77 20.704,78 191.764,79 30.21,80 1.899,81 2.706,82 73.898,83 19.783,84 315.3,85 29.298,86 1.037,87 2.919,88 74.709,89 21.87,90 178.935,91 31.182,92 1.3,93 3.214,94 87.249,95 24.375,96 227.298,97 35.252,98 1.817,99 3.313,100 87.63,101 26.24,102 311.512,103 37.707,104 75,105 60,106 0.233,107 0.529,108 0.753,109 0.848,110 0.867,111 0.867,112 3.788,113 1.136,114 -2.84,115 -2.85,116 -2.76,117 33.3,118 1,119 10,120 1,123 4,125 5,130 1,131 1,135 5,136 1,145 2,154 17,156 3,160 5,162 6,163 18,166 1,167 2,169 2,170 3,171 8,174 12,178 7,182 1,183 9,186 3,189 6,190 9,192 6,193 1,194 14,197 5,201 12,204 1,205 2,206 13,208 9,212 16,215 1,217 9,220 13,223 4,224 13,226 5,227 1,228 10,231 17,236 9,240 1,241 9,243 18,246 4225,247 28.592,248 28.592,249 28.592,250 28.592,251 28.592,252 27.136,253 28.523,254 17.384,255 28.972,256 22.131,257 22.131,258 22.131,259 22.131,260 22.131,261 19.774,262 33.464,263 8.161,264 22.734,265 4.983,266 3.001,267 1.504,268 0.871,269 0.739,270 0.739,271 4.465,276 1204,277 6.124,280 569.503,285 1.909,286 76.128,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 95,297 583,298 4.803,299 3.822,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.082,308 3.668,309 6.208,310 3.922,311 2.946,312 3.469,313 1.924,314 9.237,315 2.873,316 3.962,317 3.421,318 6.075,319 3.792,320 2.809,321 3.212,322 0.86,323 8.8,324 2.755,325 3.808,326 2.992,327 5.876,328 3.62,329 2.626,330 2.972,331 0.4,332 8.118,333 2.606,334 3.671,335 2.734,336 5.316,337 3.439,338 2.454,339 2.754,340 0.349,341 6.855,342 2.411,343 3.454,344 2.56,345 5.289,346 3.361,347 2.36,348 2.454,349 0.148,350 6.719,351 2.357,352 3.171,353 2.463,354 4.974,355 3.123,356 2.165,357 2.175,359 5.801,360 2.065,361 3.124,362 2.375,363 4.91,364 2.94,365 2.012,366 2.131,368 5.339,369 1.857,370 2.933,371 2.244,372 4.334,373 2.563,374 1.578,375 2.083,377 4.064,378 1.548,379 2.843,380 1.995,381 4.004,382 2.479,383 1.488,384 1.804,386 3.336,387 1.471,388 2.506,389 1.674,390 3.79,391 2.462,392 1.459,393 1.5,395 3.152,396 1.46,397 2.5,398 1.62,399 3.642,400 2.188,401 1.254,402 1.485,404 2.887,405 1.167,406 2.483,407 1.453,408 3.53,409 2.038,410 1.112,411 1.425,413 2.624,414 1.021,415 2.266,416 1.411,417 3.503,418 2,419 1.03,420 1.22,422 2.433,423 1,424 2.216,425 1.364,426 3.247,427 2,428 1,429 1.11,431 2.136,432 1,433 20.267,434 0.471,435 1.049,436 0.024,437 39.25,438 0.913,439 13,440 0.302,441 26.25,442 0.61,443 58.623,444 1.363,445 52.333,446 0.563,447 39.277,448 0.913,449 6.944,450 0.161,451 13.678,452 0.318,453 0.148,454 0.041,455 0.242,459 0.733,460 1.563,461 0.942,462 1.419,463 0.728,464 1.19,465 0.716,466 1.301,467 0.997,468 1.207,469 0.595,470 1.2,471 0.951,472 1.081,473 1.11,474 1.108,475 0.916,476 1.054,477 1.221,478 1.11,479 1.115,480 1.084,481 1.342,482 0.973,483 1.089,484 0.918,485 0.871,486 0.806,487 1.215,488 0.845,489 1.246,490 1.099,491 1.063,492 1.026,493 1.274,494 1.006,495 1.297,496 1.039,497 1.057,498 0.997,499 1.391,500 0.963,501 1.094,502 0.971,503 1.005,504 0.957,505 1.198,506 1.01,507 9.5,508 0.429,509 4.667,510 2.813,511 2.711,512 1.618,513 1.307,514 1.181,515 0.654,516 0.509,517 28263,518 69581,519 1.963,520 53.8,521 14,522 21,525 5,527 8,528 2,529 1.826,530 1.823,531 3.697,532 2.134,535 144.717,536 1.556,537 3.538,538 5.035,539 5.668,540 5.8,541 5.8,542 3.044,543 4.99,544 5.4,545 3.905,546 3526.48,547 9.606,548 65111.4,552 608.142,553 1.537,554 5.341,555 0.211,556 0.007,557 0.078,558 0.045,559 0.042,560 0.022,561 0.017,562 0.014,563 0.008,564 0.007,565 0.45,566 0.17,567 0.63,568 1.242,569 246.593,570 0.006,571 -0.146,572 0.151,573 -0.064,574 -0.099,575 0.015,576 0.164,577 -0.076,578 -0.017,579 -0.087,580 0.123,581 -0.118,582 -0.003,583 -0.006,584 -0.029,585 -0.033,586 -0.035,587 -0.037,588 -0.084,589 -0.094,590 -0.002,591 -0.055,592 -0.09,593 0.001,594 0.198,595 0.082,596 0.117,597 0.103,598 0.198,599 0.092,600 -0.113,601 -0.02,602 -0.027,603 -0.005,604 -0.079,605 -0.011,606 -0.124,607 -0.007,608 -0.017,609 0.002,610 -0.095,611 0.017,612 0.048,613 0.045,614 -0.043,615 0.009,616 0.06,617 -0.027,618 4.928,619 6.641,620 0.419,621 50.657,622 1.001,623 1.139,624 1.606,625 2.579,626 0.617,627 3.829,628 4.111,629 4.29,630 4.466,631 4.654,632 4.595,633 4.71,634 4.779,635 4.787,636 4.762,637 8.466,638 0.574,639 622.92,640 3.829,641 5.352,642 6.163,643 7.017,644 7.85,645 8.709,646 9.553,647 10.414,648 11.264,649 12.127,650 4.3,652 1,653 1,657 2,662 5,666 1,667 6,676 93,677 11,678 1,679 45,680 95,681 31,682 6,683 1,684 5,686 3,687 3,690 1,694 5,695 1,697 15,698 10,699 21,700 1,701 5,702 1,703 1,704 4,706 1,708 2,713 50,714 11,715 5,716 12,717 1,719 4,721 1,722 7,724 2,732 3,740 2,744 1,745 1,751 2,752 1,753 3,755 1,756 1,759 43,761 1,762 2,763 14,764 3,765 1,767 6,768 1,772 7.5,773 2,775 4,776 1,778 23.583,779 15.6,780 9.792,781 5.936,783 0.781,784 1.106,785 0.885,786 14.922,787 8.173,788 3.989,789 4.401,790 4.642,791 4.932,792 5.285,793 5.141,794 5.33,795 5.539,796 5.675,797 5.709,798 0.889,799 63,800 16.645,801 7.497,802 7.94,803 30.99,804 25.878,805 2.44,806 104.917,809 529.7,810 138.355,811 53.945,813 190.969,815 5.569,816 132.786,817 720.669,818 53.945,819 8.825,820 90.53,821 164.198,822 115.012,823 4.704,825 529.7,827 529.7,828 186.731,829 190.969,830 5.569,831 411.989,832 212.314,833 96.367,835 101.512,836 75.743,837 15.045,839 529.7,840 244.914,841 138.355,843 5.569,844 529.7,845 51.336,846 67.201,847 52.426,848 206.736,849 529.7,850 244.914,851 138.355,852 0.568,853 0.322,854 0.166,855 0.094,856 22,857 12,858 0.179,859 17,861 1,862 4.931,863 419.858,865 18,866 219.329,869 1,870 35.479,871 18.086,872 11.788,874 244.914,875 9.057,879 0.752,880 137.793,881 912.969,882 53,883 3.738,884 -4.012,885 53.615,887 1.516,889 -1.137,891 93.098,892 105.929,893 0.238,894 0.541,895 0.77,896 0.867,897 0.887,898 0.887,899 5.239,900 2.012,901 6.151,902 5.801,903 4.796,904 5.088,905 2.772,906 6.936,907 4.747,908 6.386,909 1.578,910 7.703,911 5.339,912 4.443,913 5.027,914 2.179,915 8.003,916 4.39,917 7.677,918 1.488,919 9.371,920 4.064,921 6.399,922 7.109,923 3.72,924 11.027,925 6.313,926 9.006,927 1.459,928 11.111,929 3.336,930 6.878,931 7.96,932 3.785,933 12.975,934 6.79,935 10.382,936 1.254,937 12.902,938 3.152,939 8.329,940 9.614,941 4.897,942 15.601,943 8.212,944 11.79,945 1.112,946 14.73,947 2.887,948 9.186,949 10.849,950 5.247,951 17.898,952 9.063,953 13.225,954 1.03,955 16.587,956 2.624,957 10.451,958 12.392,959 6.158,960 20.428,961 10.304,962 3.397,963 1,964 18.465,965 2.433,966 11.486,967 13.785,968 6.653,969 22.863,970 11.329,971 2.946,972 12.526,973 20.362,974 2.136,975 12.688,976 15.302,977 7.458,978 25.377,979 12.511,980 2.809,981 9.237,982 22.274,983 4.56,984 13.808,985 16.763,986 8.032,987 27.866,988 13.617,989 2.626,990 8.8,991 24.199,992 3.469,993 14.996,994 18.275,995 8.779,996 30.382,997 14.788,998 2.454,999 8.118,1000 26.134,1001 3.212,1002 16.158,1003 19.765,1004 9.396,1005 32.893,1006 15.934,1007 2.36,1008 6.855,1009 28.078,1010 2.972,1011 17.348,1012 21.278,1013 10.11,1014 35.414,1015 17.108,1016 2.165,1017 6.719,1018 30.03,1019 2.754,1020 18.532,1021 22.782,1022 10.752,1023 37.933,1024 18.277,1025 27940,1026 44212,1027 29.008,1028 57.364,1029 65.608,1030 67.758,1031 67.862,1032 65.327,1033 65.321,1034 75.009,1035 11.332,1036 179.976,1037 63.624,1038 5.803,1039 5.822,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 25.341,1048 1.458,1049 1.506,1050 1.508,1051 1.452,1052 1.452,1053 1.667,1054 0.252,1055 3.999,1056 1.414,1057 4.052,1058 4.065,1059 4.723,1060 3.951,1061 7.717,1062 3.902,1063 3.932,1064 3.971,1065 3.87,1066 3.834,1067 7.433,1068 3.802,1069 3.893,1070 3.917,1071 3.803,1072 3.813,1073 7.423,1074 3.771,1075 3.791,1076 3.841,1077 3.687,1078 3.641,1079 6.999,1080 3.641,1081 3.729,1082 3.779,1083 3.601,1084 3.579,1085 6.461,1086 3.575,1087 3.612,1088 3.651,1089 3.526,1090 3.418,1091 6.436,1092 3.423,1093 3.536,1094 3.601,1095 3.43,1096 3.37,1097 4.755,1098 3.361,1099 3.447,1100 3.455,1101 3.368,1102 3.282,1103 4.708,1104 3.25,1105 0.107,1106 0.085,1107 0.162,1108 0.097,1109 0.075,1110 4.803,1111 0.101,1112 3.822,1113 0.044,1114 7.311,1115 0.278,1116 4.381,1117 0.074,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.308,1134 2.065,1135 1.795,1136 1.787,1137 1.973,1138 1.977,1139 1.268,1140 1.994,1141 1.758,1142 1.711,1143 1.918,1144 1.946,1145 1.207,1146 1.954,1147 1.709,1148 1.66,1149 1.9,1150 1.895,1151 1.135,1152 1.904,1153 1.544,1154 1.5,1155 1.794,1156 1.758,1157 1.085,1158 1.767,1159 1.527,1160 1.463,1161 1.711,1162 1.723,1163 0.906,1164 1.748,1165 1.308,1166 1.307,1167 1.572,1168 1.541,1169 0.851,1170 1.556,1171 4.511,1173 5.802,1175 7.277,1177 8.831,1179 10.426,1180 1.834,1184 21.204,1185 7.699,1186 8.233,1187 5.274,1189 -4.104,1190 1.248,1192 53.393,1193 144.717,1194 329.027,1195 468.267,1196 527.122,1197 539.387,1198 539.387,1199 209.885,1200 7.391,1201 157.3,1202 165.68,1203 18,1204 12.678,1205 3.585,1206 3.17,1207 97.372,1208 217,1209 208,1210 0.209,1211 334.67,1212 605.08,1213 808.355,1214 14958,1216 31.244,1217 0.727,1218 0.608,1219 31.494,1220 26.142,1221 20.623,1222 0.458,1223 0.379,1224 15.509,1225 19.068,1226 15.106,1227 12.493,1228 21.444,1229 17.033,1230 18.228,1231 0.304,1232 0.223,1233 19.529,1234 13.384,1235 14.114,1236 0.196,1237 0.138,1238 15.205,1239 9.952,1240 10.845,1241 0.126,1242 0.082,1243 11.902,1244 7.065,1245 8.754,1246 0.084,1247 0.048,1248 9.719,1249 5.024,1250 0.328,1251 138.006,1252 0.186,1253 37.817,1254 0.578,1255 210,1256 624.481,1257 271.555,1258 604.004,1259 784.5,1260 556,1261 237,1262 506.5,1263 307.689,1264 541.889,1265 785.53,1266 509,1267 8.481} {0 CHEMBL88415,1 1.689,2 15.51,3 4.364,4 19.044,5 180.942,6 7.12,7 0.118,8 4.666,9 4.792,10 4.253,11 4.133,12 5.691,13 4.096,14 5.287,15 5.475,16 4.585,17 4.537,18 6.512,19 4.469,20 5.632,21 5.863,22 4.731,23 4.73,24 6.88,25 4.626,26 5.726,27 5.97,28 4.744,29 4.725,30 6.894,31 4.641,32 5.721,33 5.954,34 4.832,35 4.706,36 7.112,37 4.668,38 5.692,39 5.889,40 4.916,41 4.784,42 7.055,43 4.756,44 5.843,45 6.047,46 4.976,47 4.868,48 7.2,49 4.844,50 5.882,51 6.092,52 4.922,53 4.918,54 7.255,55 4.867,56 0.188,57 1.552,58 26.047,59 9.584,60 40.972,61 12.978,62 1.07,63 2.583,64 47.75,65 16.474,66 155.897,67 22.475,68 1.817,69 3.017,70 73.985,71 22.07,72 301.879,73 30.648,74 1.752,75 3.153,76 84.624,77 21.758,78 295.01,79 31.003,80 2.442,81 3.222,82 79.551,83 20.674,84 411.937,85 28.734,86 1.749,87 3.502,88 76.726,89 21.912,90 331.395,91 28.699,92 2.383,93 4.065,94 92.932,95 24.28,96 413.17,97 31.342,98 2.73,99 4.018,100 92.998,101 25.845,102 467.318,103 34.096,104 135,105 70,106 0.248,107 0.523,108 0.742,109 0.838,110 0.865,111 0.865,112 3.915,113 1.09,114 -3.11,115 -3.11,116 -2.99,117 34,118 2,119 9,120 2,123 5,125 3,128 1,130 1,131 1,135 5,136 1,144 1,145 3,154 19,156 3,160 6,162 4,163 19,166 1,167 3,169 3,170 2,171 7,174 11,177 1,178 9,181 1,183 8,186 2,189 7,190 13,192 6,193 1,194 10,197 2,201 18,204 2,205 1,206 8,208 4,211 1,212 21,215 1,217 8,220 9,223 5,224 16,226 5,227 1,228 10,231 14,236 13,239 1,241 7,243 17,246 5995,247 32.056,248 32.056,249 32.056,250 32.056,251 32.056,252 30.391,253 31.17,254 19.149,255 32.491,256 25.006,257 25.006,258 25.006,259 25.006,260 25.006,261 22.168,262 33.348,263 8.939,264 25.686,265 4.955,266 3.084,267 1.59,268 0.943,269 0.755,270 0.755,271 4.588,276 1561,277 6.892,280 663.742,285 2.132,286 109.498,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 110.5,297 760,298 4.803,299 4.65,300 7.668,301 4.449,302 3.517,303 4.56,304 3.524,305 13.509,306 3.342,307 4.63,308 3.824,309 7.311,310 4.381,311 3.397,312 3.81,313 1.989,314 12.526,315 3.271,316 4.07,317 3.677,318 6.179,319 3.879,320 2.894,321 3.469,322 1.937,323 9.109,324 2.841,325 3.937,326 3.471,327 6.016,328 3.708,329 2.719,330 3.202,331 1.898,332 8.514,333 2.682,334 3.756,335 3.419,336 5.845,337 3.579,338 2.583,339 2.957,340 1.266,341 7.903,342 2.568,343 3.635,344 2.87,345 5.321,346 3.373,347 2.374,348 2.733,349 0.86,350 6.734,351 2.369,352 3.422,353 2.734,354 5.289,355 3.344,356 2.35,357 2.452,358 0.4,359 6.572,360 2.332,361 3.289,362 2.522,363 5.008,364 3.204,365 2.209,366 2.297,367 0.357,368 5.921,369 2.192,370 3.126,371 2.463,372 4.913,373 2.94,374 2.012,375 2.134,376 0.182,377 5.343,378 1.857,379 2.947,380 2.343,381 4.741,382 2.637,383 1.65,384 2.087,385 0.087,386 4.448,387 1.611,388 2.889,389 2.262,390 4.249,391 2.524,392 1.527,393 1.885,394 0.021,395 3.784,396 1.517,397 2.752,398 1.997,399 3.918,400 2.462,401 1.459,402 1.697,404 3.184,405 1.46,406 2.5,407 1.975,408 3.695,409 2.329,410 1.349,411 1.5,413 3.04,414 1.3,415 2.499,416 1.674,417 3.642,418 2.187,419 1.254,420 1.433,422 2.868,423 1.165,424 2.446,425 1.453,426 3.524,427 2.015,428 1.099,429 1.412,431 2.597,432 1,433 22.738,434 0.464,435 1.395,436 0.028,437 46.25,438 0.944,439 16,440 0.327,441 30.25,442 0.617,443 67.781,444 1.383,445 59.462,446 0.595,447 53.4,448 1.09,449 8.456,450 0.173,451 14.821,452 0.302,453 0.179,454 0.059,455 0.237,456 2,459 0.591,460 1.403,461 0.854,462 1.425,463 0.582,464 1.178,465 0.612,466 1.169,467 0.901,468 1.178,469 0.531,470 1.149,471 0.687,472 0.997,473 1.007,474 1.122,475 0.678,476 1.052,477 1.087,478 1.039,479 1.072,480 1.075,481 1.176,482 0.957,483 1.244,484 1.001,485 0.905,486 0.782,487 1.334,488 0.796,489 1.394,490 1.283,491 1.069,492 1.061,493 1.467,494 0.976,495 1.816,496 1.327,497 1.246,498 1.025,499 1.908,500 0.975,501 1.574,502 1.163,503 1.204,504 0.954,505 1.624,506 1.023,507 12,508 0.537,509 6.667,510 3.688,511 3.191,512 2.34,513 1.797,514 1.437,515 0.843,516 0.669,517 39425,518 110443,519 1.929,520 51,521 19,522 21,525 4,527 7,529 1.856,530 1.771,531 3.849,532 1.374,535 168.857,536 1.689,537 3.56,538 5.054,539 5.701,540 5.889,541 5.889,542 3.308,543 5.207,544 5.587,545 4.057,546 4770.62,547 9.983,548 95718.8,552 664.386,553 1.651,554 5.513,555 0.235,556 0.007,557 0.095,558 0.049,559 0.042,560 0.027,561 0.019,562 0.015,563 0.009,564 0.008,565 0.504,566 0.17,567 0.63,568 1.548,569 291.558,570 0.009,571 -0.147,572 0.136,573 -0.092,574 -0.06,575 -0.002,576 0.205,577 -0.033,578 0.037,579 -0.074,580 0.166,581 -0.088,582 0.201,583 0.007,584 0.048,585 -0.048,586 0.177,587 -0.035,588 -0.046,589 -0.069,590 0.023,591 -0.052,592 -0.068,593 0.018,594 0.058,595 0.069,596 0.103,597 0.13,598 0.042,599 0.13,600 -0.099,601 -0.11,602 -0.006,603 -0.022,604 -0.063,605 0.001,606 -0.252,607 0.008,608 -0.131,609 -0.004,610 -0.225,611 -0.028,612 -0.151,613 0.075,614 -0.182,615 0.02,616 -0.117,617 -0.072,618 5.657,619 7.327,620 0.367,621 63.55,622 1.011,623 1.145,624 1.883,625 3.546,626 0.62,627 3.951,628 4.263,629 4.454,630 4.585,631 4.762,632 4.762,633 4.852,634 4.905,635 4.942,636 4.934,637 9.222,638 0.587,639 711.97,640 3.951,641 5.493,642 6.315,643 7.179,644 8.025,645 8.894,646 9.75,647 10.624,648 11.486,649 12.363,650 5,652 1,653 1,657 3,662 5,666 1,667 6,676 100,677 13,678 1,679 51,680 102,681 34,682 6,683 1,684 5,686 3,687 3,690 2,692 1,694 5,695 1,697 13,698 12,699 22,700 2,701 7,702 1,703 1,704 6,706 1,708 4,712 2,713 51,714 14,715 4,716 15,717 1,719 5,721 1,722 7,732 3,738 1,740 3,744 1,745 1,752 1,753 3,755 1,756 2,758 2,759 49,761 1,763 14,764 4,765 1,767 5,768 1,769 1,771 2,772 7,775 6,776 1,778 27.667,779 17.486,780 11.042,781 6.409,783 0.774,784 1.102,785 0.915,786 16.273,787 8.37,788 4.127,789 4.559,790 4.834,791 5.06,792 5.391,793 5.292,794 5.457,795 5.643,796 5.782,797 5.813,798 1,799 76,800 19.587,801 9.543,802 8.167,803 34.554,804 28.607,805 2.667,806 130.667,809 553.242,810 158.413,811 71.956,813 155.893,814 29.92,815 5.569,816 152.845,817 709.134,818 101.876,819 17.65,820 108.112,821 78.831,822 175.14,823 36.448,825 553.242,827 553.242,828 224.8,829 185.813,830 5.569,831 470.844,832 257.211,833 11,834 1.824,835 127.919,836 85.581,837 15.045,839 583.162,840 227.848,841 158.413,843 5.569,844 555.066,845 60.746,846 76.026,847 70.437,848 201.58,849 553.242,850 257.769,851 158.413,852 0.578,853 0.332,854 0.159,855 0.088,856 26,857 15,858 0.186,859 19,861 1,862 5.24,863 508.31,865 18,866 259.121,869 1,870 40.687,871 19.598,872 12.517,874 257.769,875 8.679,879 0.643,880 70.437,881 969.424,882 61,883 3.634,884 -4.143,885 79.673,887 1.337,889 -5.231,891 101.108,892 114.522,893 0.254,894 0.536,895 0.761,896 0.858,897 0.886,898 0.886,899 5.396,900 2.209,901 6.337,902 6.572,903 4.949,904 5.247,905 3.778,906 7.177,907 4.898,908 6.573,909 2.012,910 7.935,911 5.921,912 4.745,913 5.27,914 3.837,915 8.456,916 4.654,917 7.89,918 1.65,919 9.659,920 5.343,921 6.629,922 7.299,923 5.462,924 11.493,925 6.517,926 9.247,927 1.527,928 11.463,929 4.448,930 7.259,931 8.192,932 6.36,933 13.626,934 7.095,935 10.65,936 1.459,937 13.321,938 3.784,939 8.68,940 9.808,941 7.68,942 16.312,943 8.485,944 12.083,945 1.349,946 15.219,947 3.184,948 9.658,949 11.048,950 8.845,951 18.737,952 9.407,953 13.54,954 1.254,955 17.144,956 3.04,957 10.933,958 12.562,959 10.111,960 21.341,961 10.642,962 3.517,963 1.099,964 19.091,965 2.868,966 12.059,967 13.944,968 11.347,969 23.865,970 11.71,971 3.397,972 13.509,973 21.054,974 2.597,975 13.294,976 15.437,977 12.606,978 26.45,979 12.899,980 2.894,981 12.526,982 23.031,983 4.56,984 14.482,985 16.883,986 13.859,987 29.01,988 14.032,989 2.719,990 9.109,991 25.016,992 3.81,993 15.71,994 18.377,995 15.118,996 31.593,997 15.211,998 2.583,999 8.514,1000 27.01,1001 3.469,1002 16.926,1003 19.854,1004 16.376,1005 34.167,1006 16.373,1007 2.374,1008 7.903,1009 29.01,1010 3.202,1011 18.157,1012 21.353,1013 17.636,1014 36.751,1015 17.553,1016 2.35,1017 6.734,1018 31.015,1019 2.957,1020 19.386,1021 22.846,1022 18.895,1023 39.332,1024 18.73,1025 39195,1026 65976,1027 32.186,1028 62.006,1029 75.704,1030 78.768,1031 78.372,1032 74.873,1033 74.731,1034 86.485,1035 25.045,1036 213.062,1037 72.809,1038 5.803,1039 6.65,1040 7.47,1041 5.552,1042 5.517,1043 7.56,1044 5.246,1045 21.664,1046 5.342,1047 32.342,1048 1.484,1049 1.544,1050 1.537,1051 1.468,1052 1.465,1053 1.696,1054 0.491,1055 4.178,1056 1.428,1057 4.054,1058 4.068,1059 4.723,1060 3.952,1061 8.363,1062 3.904,1063 3.939,1064 3.972,1065 3.891,1066 3.834,1067 7.999,1068 3.804,1069 3.893,1070 3.917,1071 3.829,1072 3.812,1073 7.717,1074 3.771,1075 3.807,1076 3.859,1077 3.7,1078 3.649,1079 7.436,1080 3.652,1081 3.771,1082 3.824,1083 3.686,1084 3.614,1085 7.426,1086 3.613,1087 3.685,1088 3.727,1089 3.566,1090 3.512,1091 7.423,1092 3.527,1093 3.61,1094 3.648,1095 3.528,1096 3.418,1097 7.411,1098 3.422,1099 3.46,1100 3.519,1101 3.422,1102 3.283,1103 6.999,1104 3.266,1105 0.094,1106 0.091,1107 0.15,1108 0.087,1109 0.069,1110 4.803,1111 0.089,1112 4.65,1113 0.069,1114 7.668,1115 0.265,1116 4.449,1117 0.066,1118 3.517,1119 4.56,1120 3.524,1121 13.509,1122 3.342,1123 1.931,1124 1.905,1125 2.123,1126 2.061,1127 1.529,1128 2.079,1129 1.911,1130 1.862,1131 2.055,1132 2.045,1133 1.31,1134 2.064,1135 1.795,1136 1.787,1137 2.012,1138 1.977,1139 1.269,1140 1.994,1141 1.77,1142 1.713,1143 1.925,1144 1.96,1145 1.207,1146 1.973,1147 1.737,1148 1.689,1149 1.9,1150 1.927,1151 1.152,1152 1.928,1153 1.62,1154 1.584,1155 1.792,1156 1.829,1157 1.089,1158 1.814,1159 1.542,1160 1.498,1161 1.711,1162 1.745,1163 0.906,1164 1.756,1165 1.382,1166 1.332,1167 1.648,1168 1.645,1169 0.825,1170 1.638,1171 4.635,1173 5.948,1175 7.448,1177 9.028,1179 10.651,1180 3.621,1182 30.655,1185 4.906,1186 9.543,1187 5.245,1189 -4.65,1190 1.163,1191 -4.407,1192 58.707,1193 168.857,1194 355.974,1195 505.434,1196 570.121,1197 588.876,1198 588.876,1199 296.703,1200 7.596,1201 163.01,1202 171.39,1203 18,1204 12.904,1205 3.807,1206 3.459,1207 120.682,1208 269,1209 305,1210 0.209,1211 366.783,1212 674.84,1213 886.711,1214 19226,1215 2,1216 36.029,1217 0.735,1218 0.597,1219 34.486,1220 29.243,1221 23.277,1222 0.456,1223 0.363,1224 16.943,1225 21.486,1226 16.498,1227 13.67,1228 23.338,1229 18.531,1230 21.104,1231 0.301,1232 0.209,1233 21.211,1234 14.627,1235 16.778,1236 0.197,1237 0.126,1238 16.357,1239 10.692,1240 11.962,1241 0.123,1242 0.074,1243 12.626,1244 7.191,1245 9.441,1246 0.081,1247 0.043,1248 10.313,1249 4.983,1250 0.329,1251 155.888,1252 0.176,1253 41.884,1254 0.576,1255 242,1256 886.208,1257 316.054,1258 798.49,1259 1020.66,1260 732,1261 276,1262 659.584,1263 360.296,1264 681.963,1265 1006.33,1266 639,1267 9.301} {0 CHEMBL88526,1 1.603,2 13.545,3 3.592,4 12.902,5 173.223,6 6.968,7 0.13,8 4.603,9 4.724,10 4.207,11 4.097,12 5.575,13 4.031,14 5.212,15 5.393,16 4.504,17 4.509,18 6.288,19 4.399,20 5.556,21 5.79,22 4.619,23 4.696,24 6.513,25 4.549,26 5.652,27 5.896,28 4.656,29 4.698,30 6.681,31 4.569,32 5.659,33 5.894,34 4.768,35 4.706,36 6.942,37 4.61,38 5.668,39 5.884,40 4.833,41 4.818,42 6.774,43 4.701,44 5.792,45 6.015,46 4.917,47 4.901,48 6.916,49 4.789,50 5.837,51 6.061,52 4.905,53 4.965,54 7.015,55 4.825,56 0.151,57 1.348,58 26.716,59 9.48,60 30.857,61 12.734,62 0.735,63 2.161,64 49.125,65 16.526,66 96.632,67 22.106,68 1.007,69 2.707,70 73.339,71 22.224,72 131.345,73 29.722,74 1.164,75 2.805,76 83.01,77 22.26,78 182.048,79 30.558,80 1.911,81 2.819,82 77.933,83 21.058,84 304.797,85 29.572,86 1.101,87 3.053,88 85.665,89 24.472,90 179.463,91 31.61,92 1.374,93 3.339,94 94.026,95 25.916,96 226.11,97 34.907,98 1.845,99 3.483,100 98.848,101 29.68,102 297.041,103 38.54,104 78,105 61,106 0.239,107 0.541,108 0.769,109 0.853,110 0.869,111 0.869,112 3.81,113 1.187,114 -2.84,115 -2.85,116 -2.76,117 33,118 1,119 9,120 1,123 5,125 4,126 1,130 1,131 1,135 5,136 1,145 2,154 16,156 3,160 5,162 6,163 18,166 1,167 2,169 2,170 3,171 7,174 13,178 6,182 1,183 8,186 3,189 6,190 8,192 6,193 1,194 15,197 5,201 13,204 1,205 2,206 13,208 7,212 17,215 1,217 8,220 10,223 4,224 10,226 5,227 1,228 11,231 15,236 9,240 1,241 9,243 16,246 4586,247 29.299,248 29.299,249 29.299,250 29.299,251 29.299,252 27.843,253 28.755,254 17.908,255 29.885,256 22.631,257 22.631,258 22.631,259 22.631,260 22.631,261 20.257,262 33.22,263 8.457,264 23.584,265 4.951,266 2.927,267 1.403,268 0.841,269 0.731,270 0.731,271 4.488,276 1229,277 6.205,280 584.926,285 1.88,286 76.933,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 97,297 596,298 4.803,299 4.574,300 7.311,301 4.381,302 3.397,303 4.56,304 3.787,305 12.526,306 3.342,307 4.082,308 3.742,309 6.208,310 3.905,311 2.946,312 3.469,313 1.954,314 9.238,315 2.826,316 3.962,317 3.534,318 6.075,319 3.789,320 2.81,321 3.21,322 1.857,323 8.8,324 2.753,325 3.808,326 3.421,327 5.876,328 3.594,329 2.627,330 2.972,331 0.86,332 8.121,333 2.531,334 3.67,335 2.994,336 5.316,337 3.439,338 2.454,339 2.752,340 0.637,341 6.855,342 2.409,343 3.454,344 2.738,345 5.289,346 3.358,347 2.361,348 2.454,349 0.4,350 6.719,351 2.344,352 3.17,353 2.631,354 4.974,355 3.116,356 2.166,357 2.174,358 0.165,359 5.802,360 2.05,361 3.124,362 2.551,363 4.91,364 2.939,365 2.012,366 2.131,367 0.071,368 5.339,369 1.857,370 2.934,371 2.462,372 4.339,373 2.558,374 1.629,375 2.083,377 4.089,378 1.528,379 2.888,380 2.366,381 4.009,382 2.487,383 1.515,384 1.865,386 3.371,387 1.47,388 2.576,389 2.001,390 3.812,391 2.473,392 1.483,393 1.517,395 3.193,396 1.419,397 2.5,398 1.674,399 3.642,400 2.259,401 1.311,402 1.5,404 2.919,405 1.234,406 2.484,407 1.62,408 3.531,409 2.09,410 1.193,411 1.479,413 2.686,414 1.062,415 2.346,416 1.453,417 3.529,418 2,419 1.039,420 1.26,422 2.589,423 1,424 2.238,425 1.364,426 3.258,427 2,428 1,429 1.159,431 2.136,432 1,433 21.1,434 0.48,435 1.049,436 0.024,437 39.75,438 0.903,439 13,440 0.295,441 26.75,442 0.608,443 62.494,444 1.42,445 53.3,446 0.567,447 38.592,448 0.877,449 6.689,450 0.152,451 14.434,452 0.328,453 0.142,454 0.039,455 0.232,459 0.734,460 1.499,461 0.896,462 1.307,463 0.73,464 1.154,465 0.725,466 1.294,467 1.072,468 1.227,469 0.599,470 1.193,471 0.946,472 1.085,473 1.086,474 1.108,475 0.928,476 1.05,477 1.187,478 1.11,479 1.089,480 1.083,481 1.305,482 0.969,483 1.087,484 0.923,485 0.87,486 0.807,487 1.217,488 0.835,489 1.283,490 1.12,491 1.139,492 1.084,493 1.315,494 1.004,495 1.343,496 1.047,497 1.081,498 1.022,499 1.44,500 0.961,501 1.095,502 0.996,503 1.153,504 1.058,505 1.189,506 1.007,507 9.5,508 0.446,509 4.667,510 2.813,511 2.711,512 1.674,513 1.348,514 1.181,515 0.679,516 0.549,517 29736,518 75482,519 1.964,520 53.2,521 14,522 22,523 1,525 5,527 6,528 2,529 1.832,530 1.827,531 3.696,532 2.133,535 150.707,536 1.603,537 3.628,538 5.152,539 5.714,540 5.823,541 5.823,542 3.05,543 4.553,544 5.433,545 3.901,546 3690.77,547 9.679,548 69252.6,552 616.131,553 1.52,554 5.376,555 0.207,556 0.006,557 0.077,558 0.044,559 0.041,560 0.022,561 0.017,562 0.014,563 0.008,564 0.007,565 0.442,566 0.17,567 0.63,568 1.303,569 253.69,570 0.003,571 -0.125,572 0.146,573 -0.031,574 -0.1,575 0.022,576 0.161,577 -0.078,578 -0.031,579 -0.089,580 0.123,581 -0.117,582 0.011,583 -0.015,584 -0.005,585 -0.032,586 -0.03,587 -0.034,588 -0.068,589 -0.092,590 0.008,591 -0.053,592 -0.084,593 0.008,594 0.203,595 0.084,596 0.12,597 0.112,598 0.191,599 0.101,600 -0.115,601 -0.022,602 -0.002,603 0.006,604 -0.076,605 -0.002,606 -0.127,607 0.013,608 0.018,609 0.021,610 -0.091,611 0.022,612 0.055,613 0.054,614 -0.027,615 0.03,616 0.062,617 -0.001,618 4.936,619 6.724,620 0.409,621 52.388,622 1.002,623 1.137,624 1.606,625 2.579,626 0.628,627 3.85,628 4.127,629 4.304,630 4.477,631 4.673,632 4.625,633 4.736,634 4.812,635 4.828,636 4.828,637 8.502,638 0.581,639 654.99,640 3.85,641 5.371,642 6.18,643 7.031,644 7.864,645 8.72,646 9.564,647 10.425,648 11.274,649 12.137,650 4.3,652 1,653 1,657 2,662 5,666 1,667 6,676 94,677 11,678 1,679 46,680 96,681 31,682 6,683 1,684 5,686 3,687 3,690 1,694 5,695 1,697 13,698 10,699 21,700 1,701 5,702 1,703 1,704 4,706 1,708 2,713 50,714 11,715 5,716 13,717 2,719 4,721 1,722 7,724 2,732 3,740 2,744 1,745 1,751 2,752 1,753 3,754 1,755 2,756 1,759 44,761 1,762 2,763 14,764 3,765 1,766 1,767 6,768 1,772 7.4,773 2,775 4,776 1,778 24.083,779 15.767,780 10.042,781 5.908,783 0.772,784 1.104,785 0.885,786 15.992,787 8.199,788 4.007,789 4.413,790 4.652,791 4.932,792 5.285,793 5.164,794 5.349,795 5.551,796 5.672,797 5.747,798 0.889,799 64,800 17.023,801 7.639,802 7.926,803 31.728,804 26.414,805 2.426,806 106.75,809 529.7,810 168.94,811 53.945,813 190.969,815 37.788,816 131.151,817 720.669,818 53.945,819 8.825,820 88.895,821 164.198,822 115.012,823 4.704,824 11.771,825 550.148,827 529.7,828 185.096,829 190.969,830 37.788,831 435.531,832 188.772,833 96.367,835 99.877,836 75.743,837 15.045,838 32.22,839 529.7,840 244.914,841 168.94,843 5.569,844 529.7,845 81.921,846 67.201,847 52.426,848 206.736,849 529.7,850 244.914,851 168.94,852 0.566,853 0.319,854 0.162,855 0.094,856 22,857 12,858 0.188,859 18,861 1,862 4.995,863 433.454,865 18,866 226.215,867 1,869 1,870 36.815,871 19.113,872 12.585,874 244.914,875 9.068,879 0.752,880 137.793,881 943.554,882 54,883 3.73,884 -4.019,885 53.895,887 1.617,889 -1.14,891 94.174,892 106.849,893 0.245,894 0.553,895 0.786,896 0.872,897 0.888,898 0.888,899 5.255,900 2.012,901 6.163,902 5.802,903 4.812,904 5.1,905 3.779,906 6.944,907 4.741,908 6.397,909 1.629,910 7.712,911 5.339,912 4.443,913 5.027,914 2.614,915 8.003,916 4.369,917 7.685,918 1.515,919 9.376,920 4.089,921 6.409,922 7.114,923 6.043,924 11.029,925 6.286,926 9.013,927 1.483,928 11.115,929 3.371,930 6.878,931 7.96,932 5.143,933 12.975,934 6.758,935 10.386,936 1.311,937 12.905,938 3.193,939 8.334,940 9.615,941 8.598,942 15.601,943 8.175,944 11.793,945 1.193,946 14.732,947 2.919,948 9.186,949 10.849,950 7.917,951 17.898,952 9.024,953 13.227,954 1.039,955 16.588,956 2.686,957 10.453,958 12.392,959 11.211,960 20.428,961 10.264,962 3.397,963 1,964 18.466,965 2.589,966 11.486,967 13.785,968 10.751,969 22.863,970 11.289,971 2.946,972 12.526,973 20.363,974 2.136,975 12.689,976 15.302,977 13.839,978 25.377,979 12.472,980 2.81,981 9.238,982 22.274,983 4.56,984 13.808,985 16.762,986 13.569,987 27.866,988 13.58,989 2.627,990 8.8,991 24.199,992 3.469,993 14.997,994 18.275,995 16.471,996 30.382,997 14.752,998 2.454,999 8.121,1000 26.134,1001 3.21,1002 16.158,1003 19.765,1004 16.362,1005 32.893,1006 15.901,1007 2.361,1008 6.855,1009 28.078,1010 2.972,1011 17.348,1012 21.278,1013 19.105,1014 35.414,1015 17.078,1016 2.166,1017 6.719,1018 30.03,1019 2.752,1020 18.532,1021 22.782,1022 19.133,1023 37.933,1024 18.249,1025 29437,1026 47289,1027 29.701,1028 59.012,1029 66.956,1030 71.602,1031 69.097,1032 66.387,1033 66.468,1034 76.112,1035 19.462,1036 182.344,1037 63.92,1038 5.803,1039 6.574,1040 7.172,1041 5.484,1042 5.397,1043 7.56,1044 7.434,1045 19.921,1046 5.342,1047 25.762,1048 1.456,1049 1.557,1050 1.502,1051 1.443,1052 1.445,1053 1.655,1054 0.423,1055 3.964,1056 1.39,1057 4.05,1058 4.061,1059 4.723,1060 3.951,1061 7.717,1062 3.901,1063 3.929,1064 3.97,1065 3.969,1066 3.834,1067 7.433,1068 3.8,1069 3.893,1070 3.917,1071 3.835,1072 3.813,1073 7.423,1074 3.771,1075 3.77,1076 3.819,1077 3.778,1078 3.643,1079 6.999,1080 3.62,1081 3.701,1082 3.742,1083 3.614,1084 3.583,1085 6.461,1086 3.549,1087 3.606,1088 3.645,1089 3.537,1090 3.433,1091 6.436,1092 3.431,1093 3.547,1094 3.609,1095 3.475,1096 3.385,1097 4.755,1098 3.38,1099 3.48,1100 3.502,1101 3.417,1102 3.306,1103 4.705,1104 3.28,1105 0.104,1106 0.099,1107 0.159,1108 0.095,1109 0.074,1110 4.803,1111 0.099,1112 4.574,1113 0.082,1114 7.311,1115 0.272,1116 4.381,1117 0.073,1118 3.397,1119 4.56,1120 3.787,1121 12.526,1122 3.342,1123 1.931,1124 1.904,1125 2.127,1126 2.059,1127 1.536,1128 2.082,1129 1.914,1130 1.863,1131 2.054,1132 2.044,1133 1.307,1134 2.063,1135 1.793,1136 1.787,1137 1.97,1138 1.977,1139 1.267,1140 1.993,1141 1.746,1142 1.697,1143 1.901,1144 1.932,1145 1.205,1146 1.945,1147 1.648,1148 1.611,1149 1.815,1150 1.841,1151 1.105,1152 1.842,1153 1.554,1154 1.507,1155 1.788,1156 1.756,1157 0.983,1158 1.767,1159 1.537,1160 1.476,1161 1.727,1162 1.708,1163 0.904,1164 1.75,1165 1.367,1166 1.346,1167 1.573,1168 1.598,1169 0.851,1170 1.608,1171 4.533,1173 5.82,1175 7.291,1177 8.841,1179 10.434,1180 1.836,1184 21.278,1185 7.927,1186 8.281,1187 5.283,1188 1.149,1189 -4.156,1190 1.25,1192 54.58,1193 150.707,1194 341.017,1195 484.257,1196 537.112,1197 547.376,1198 547.376,1199 217.063,1200 7.427,1201 157.3,1202 190.98,1203 18,1204 12.688,1205 3.585,1206 3.17,1207 100.977,1208 221,1209 216,1210 0.211,1211 345.801,1212 623.59,1213 835.515,1214 15538,1216 31.951,1217 0.726,1218 0.622,1219 32.555,1220 27.367,1221 21.123,1222 0.459,1223 0.396,1224 15.717,1225 19.097,1226 15.2,1227 12.562,1228 22.398,1229 18.198,1230 18.582,1231 0.305,1232 0.237,1233 20.466,1234 14.447,1235 14.383,1236 0.197,1237 0.149,1238 16.223,1239 10.902,1240 10.941,1241 0.126,1242 0.088,1243 12.611,1244 7.694,1245 8.899,1246 0.084,1247 0.052,1248 10.393,1249 5.525,1250 0.331,1251 145.547,1252 0.183,1253 38.456,1254 0.585,1255 214,1256 643.342,1257 298.394,1258 641.504,1259 831.76,1260 592,1261 241,1262 522.215,1263 330.895,1264 568.322,1265 827.6,1266 533,1267 8.538} {0 CHEMBL88654,1 1.625,2 13.511,3 3.135,4 9.828,5 184.052,6 7.082,7 0.22,8 4.655,9 4.778,10 4.269,11 4.157,12 5.64,13 4.097,14 5.26,15 5.439,16 4.581,17 4.579,18 6.339,19 4.481,20 5.609,21 5.842,22 4.615,23 4.75,24 6.566,25 4.61,26 5.713,27 5.958,28 4.668,29 4.752,30 6.74,31 4.63,32 5.71,33 5.946,34 4.8,35 4.753,36 6.984,37 4.671,38 5.731,39 5.952,40 4.86,41 4.86,42 6.828,43 4.769,44 5.867,45 6.095,46 4.938,47 4.962,48 6.991,49 4.868,50 5.922,51 6.144,52 4.968,53 5.044,54 7.111,55 4.931,56 0.176,57 1.435,58 27.307,59 9.756,60 32.494,61 13.066,62 0.738,63 2.306,64 48.696,65 17.086,66 96.798,67 23.067,68 1.022,69 2.88,70 74.268,71 23.195,72 135.095,73 31.282,74 1.228,75 2.986,76 84.657,77 23.347,78 194.815,79 32.451,80 1.952,81 2.985,82 79.081,83 21.652,84 311.054,85 30.996,86 1.16,87 3.237,88 81.799,89 24.004,90 178.331,91 33.003,92 1.489,93 3.579,94 94.935,95 27.176,96 242.624,97 37.413,98 1.974,99 3.813,100 97.443,101 29.953,102 321.233,103 41.003,104 69,105 68,106 0.239,107 0.542,108 0.755,109 0.847,110 0.871,111 0.871,112 3.874,113 1.143,114 -2.68,115 -2.7,116 -2.63,117 33.7,118 1,119 10,120 1,123 4,125 5,135 6,136 2,141 1,142 1,145 2,148 1,149 1,150 1,154 17,156 3,160 5,162 8,163 20,165 2,166 1,167 2,169 2,170 3,171 9,174 13,176 1,178 7,182 1,183 10,186 3,188 1,189 6,190 9,192 6,193 1,194 15,197 5,201 13,204 1,205 3,206 14,207 1,208 9,212 17,214 1,215 2,216 1,217 9,219 1,220 13,223 4,224 13,225 1,226 6,227 1,228 11,231 19,236 9,240 2,241 12,242 1,243 21,245 2,246 5647,247 31.186,248 31.186,249 31.186,250 31.186,251 31.186,252 29.213,253 32.898,254 18.728,255 31.802,256 24.649,257 24.649,258 24.649,259 24.649,260 24.649,261 21.557,262 39.352,263 8.932,264 25.623,265 4.99,266 2.934,267 1.487,268 0.868,269 0.702,270 0.702,271 4.56,276 1330,277 6.124,279 174.335,280 621.416,285 1.818,286 81.844,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 103.5,297 635,298 4.803,299 3.825,300 7.311,301 4.381,302 3.397,303 4.56,304 1.984,305 12.526,306 3.342,307 4.153,308 3.669,309 6.223,310 3.943,311 2.965,312 3.716,313 1.924,314 9.306,315 2.894,316 4.027,317 3.421,318 6.077,319 3.798,320 2.821,321 3.468,322 0.86,323 8.811,324 2.755,325 3.951,326 2.997,327 5.911,328 3.694,329 2.72,330 3.2,331 0.4,332 8.308,333 2.658,334 3.803,335 2.85,336 5.502,337 3.508,338 2.551,339 2.972,340 0.349,341 7.352,342 2.439,343 3.664,344 2.733,345 5.316,346 3.438,347 2.454,348 2.753,349 0.148,350 6.855,351 2.407,352 3.454,353 2.559,354 5.288,355 3.356,356 2.358,357 2.454,359 6.715,360 2.339,361 3.188,362 2.463,363 4.974,364 3.118,365 2.163,366 2.303,368 5.805,369 2.057,370 3.125,371 2.373,372 4.91,373 2.94,374 2.012,375 2.153,377 5.34,378 1.857,379 3.099,380 2.234,381 4.649,382 2.738,383 1.808,384 2.13,386 4.974,387 1.65,388 2.93,389 2.005,390 4.283,391 2.529,392 1.539,393 2.083,395 3.94,396 1.52,397 2.565,398 1.804,399 3.985,400 2.476,401 1.485,402 1.537,404 3.296,405 1.47,406 2.5,407 1.673,408 3.734,409 2.304,410 1.345,411 1.5,413 3.076,414 1.28,415 2.484,416 1.619,417 3.641,418 2.103,419 1.204,420 1.48,422 2.848,423 1.075,424 2.319,425 1.453,426 3.53,427 2,428 1.039,429 1.26,431 2.613,432 1,433 22.5,434 0.479,435 1.224,436 0.026,437 45.5,438 0.968,439 16.5,440 0.351,441 29,442 0.617,443 65.953,444 1.403,445 56.1,446 0.572,447 44.887,448 0.955,449 7.86,450 0.167,451 14.674,452 0.312,453 0.129,454 0.037,455 0.262,459 0.762,460 1.422,461 0.886,462 1.246,463 0.746,464 1.099,465 0.707,466 1.25,467 0.955,468 1.141,469 0.583,470 1.15,471 0.961,472 1.093,473 1.1,474 1.107,475 0.924,476 1.083,477 1.2,478 1.086,479 1.04,480 1.036,481 1.329,482 0.975,483 1.081,484 0.929,485 0.806,486 0.782,487 1.216,488 0.833,489 1.24,490 1.078,491 0.959,492 0.979,493 1.294,494 0.966,495 1.305,496 0.996,497 0.962,498 0.934,499 1.414,500 0.928,501 1.115,502 0.963,503 0.956,504 0.918,505 1.221,506 0.993,507 11,508 0.599,509 4.889,510 3.257,511 2.791,512 1.754,513 1.581,514 1.253,515 0.847,516 0.734,517 35785,518 91543,519 2.001,520 52,521 14,522 19,523 1,525 7,527 8,528 2,529 1.849,530 1.861,531 3.684,532 3.609,535 159.222,536 1.625,537 3.681,538 5.127,539 5.747,540 5.913,541 5.913,542 3.042,543 5.054,544 5.528,545 3.886,546 4200.66,547 9.882,548 82007.9,552 648.242,553 1.528,554 5.473,555 0.22,556 0.007,557 0.072,558 0.048,559 0.04,560 0.021,561 0.018,562 0.013,563 0.009,564 0.008,565 0.455,566 0.17,567 0.5,568 1.026,569 274.854,570 -0.017,571 -0.064,572 0.137,573 0.002,574 -0.106,575 0.047,576 0.159,577 -0.055,578 0.004,579 -0.052,580 0.129,581 -0.087,582 -0.016,583 -0.036,584 -0.076,585 -0.068,586 -0.04,587 -0.074,588 -0.084,589 -0.098,590 -0.016,591 -0.055,592 -0.094,593 -0.005,594 0.195,595 0.056,596 0.116,597 0.095,598 0.186,599 0.098,600 -0.089,601 -0.024,602 0.016,603 -0.006,604 -0.071,605 0.011,606 -0.103,607 0.021,608 0.011,609 0.022,610 -0.073,611 0.039,612 0.042,613 0.055,614 -0.021,615 0.036,616 0.055,617 -0.013,618 4.966,619 7.027,620 0.489,621 56.437,622 1.003,623 1.136,624 1.455,625 2.116,626 0.633,627 3.932,628 4.234,629 4.419,630 4.615,631 4.787,632 4.762,633 4.913,634 5.011,635 5.069,636 5.124,637 8.573,638 0.588,639 694.03,640 3.932,641 5.468,642 6.286,643 7.146,644 7.984,645 8.847,646 9.694,647 10.56,648 11.413,649 12.279,650 5.1,652 1,653 1,654 1,657 2,662 7,665 1,666 3,667 11,670 1,676 98,677 15,678 1,679 50,680 101,681 33,682 10,683 1,684 5,686 4,687 4,690 1,694 5,695 1,697 15,698 12,699 21,700 1,701 4,703 1,704 4,708 2,713 51,714 12,715 7,716 14,717 2,719 5,721 1,722 7,724 2,731 1,732 3,740 2,751 2,752 1,753 4,755 2,756 1,759 47,760 1,761 1,762 2,763 14,764 3,765 1,767 6,768 1,770 1,772 7.1,773 2,775 4,776 1,778 25.25,779 16.433,780 10.458,781 6.158,783 1.045,784 1.136,785 0.909,786 15.077,787 8.722,788 4.103,789 4.572,790 4.872,791 5.227,792 5.493,793 5.413,794 5.675,795 5.906,796 6.028,797 6.133,798 0.889,799 68,800 18.175,801 8.265,802 7.906,803 33.907,804 28.65,805 2.406,806 113.083,809 517.928,810 165.63,811 86.842,813 190.969,815 36.847,816 128.783,817 708.898,818 86.842,819 8.825,820 74.763,821 204.744,822 115.012,823 8.819,824 11.771,825 537.435,827 517.928,828 215.626,829 190.969,830 36.847,831 400.217,832 212.314,833 96.367,835 102.441,836 113.184,837 5.569,838 31.278,839 517.928,840 277.812,841 165.63,843 5.569,844 517.928,845 86.729,846 74.85,847 52.426,848 223.867,849 517.928,850 277.812,851 165.63,852 0.576,853 0.324,854 0.165,855 0.092,856 27,857 14,858 0.168,859 17,861 1,862 5.216,863 490.099,865 23,866 247.066,867 1,869 1,870 37.864,871 18.715,872 12.156,874 277.812,875 12.632,878 1.318,879 2.047,880 170.69,881 961.37,882 59.5,884 -4.05,885 54.732,889 -1.15,891 98.276,892 111.347,893 0.246,894 0.556,895 0.775,896 0.869,897 0.894,898 0.894,899 5.36,900 2.163,901 6.279,902 6.715,903 4.92,904 5.26,905 2.772,906 7.064,907 4.853,908 6.524,909 2.012,910 7.829,911 5.805,912 4.575,913 5.19,914 2.179,915 8.089,916 4.504,917 7.822,918 1.808,919 9.49,920 5.34,921 6.524,922 7.323,923 3.72,924 11.116,925 6.412,926 9.156,927 1.539,928 11.219,929 4.974,930 6.995,931 8.132,932 3.785,933 13.027,934 6.882,935 10.532,936 1.485,937 12.998,938 3.94,939 8.439,940 9.812,941 4.897,942 15.649,943 8.295,944 11.937,945 1.345,946 14.813,947 3.296,948 9.283,949 11.003,950 5.247,951 17.926,952 9.134,953 13.366,954 1.204,955 16.657,956 3.076,957 10.542,958 12.547,959 6.158,960 20.451,961 10.369,962 3.397,963 1.039,964 18.524,965 2.848,966 11.564,967 13.907,968 6.653,969 22.878,970 11.383,971 2.965,972 12.526,973 20.411,974 2.613,975 12.76,976 15.414,977 7.458,978 25.389,979 12.56,980 2.821,981 9.306,982 22.315,983 4.56,984 13.869,985 16.853,986 8.032,987 27.874,988 13.659,989 2.72,990 8.811,991 24.232,992 3.716,993 15.051,994 18.354,995 8.779,996 30.388,997 14.825,998 2.551,999 8.308,1000 26.161,1001 3.468,1002 16.205,1003 19.829,1004 9.396,1005 32.897,1006 15.966,1007 2.454,1008 7.352,1009 28.1,1010 3.2,1011 17.39,1012 21.332,1013 10.11,1014 35.417,1015 17.136,1016 2.358,1017 6.855,1018 30.048,1019 2.972,1020 18.568,1021 22.826,1022 10.752,1023 37.936,1024 18.3,1025 34757,1026 55990,1027 32.591,1028 62.018,1029 73.728,1030 75.666,1031 75.589,1032 73.345,1033 73.425,1034 86.068,1035 11.332,1036 204.844,1037 70.706,1038 5.803,1039 5.825,1040 7.113,1041 5.484,1042 5.397,1043 7.56,1044 3.474,1045 19.921,1046 5.342,1047 26.785,1048 1.475,1049 1.513,1050 1.512,1051 1.467,1052 1.468,1053 1.721,1054 0.227,1055 4.097,1056 1.414,1057 4.057,1058 4.072,1059 4.723,1060 3.969,1061 7.717,1062 3.919,1063 3.946,1064 3.974,1065 4.226,1066 3.912,1067 7.433,1068 3.845,1069 3.893,1070 3.92,1071 3.862,1072 3.833,1073 7.423,1074 3.79,1075 3.885,1076 3.912,1077 3.799,1078 3.808,1079 6.999,1080 3.771,1081 3.758,1082 3.807,1083 3.664,1084 3.614,1085 6.461,1086 3.608,1087 3.678,1088 3.72,1089 3.594,1090 3.496,1091 6.436,1092 3.506,1093 3.592,1094 3.637,1095 3.522,1096 3.4,1097 5.094,1098 3.399,1099 3.502,1100 3.537,1101 3.426,1102 3.332,1103 4.753,1104 3.309,1105 0.096,1106 0.076,1107 0.146,1108 0.088,1109 0.068,1110 4.803,1111 0.091,1112 3.825,1113 0.04,1114 7.311,1115 0.251,1116 4.381,1117 0.067,1118 3.397,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.932,1124 1.905,1125 2.127,1126 2.063,1127 1.536,1128 2.084,1129 1.915,1130 1.864,1131 2.055,1132 2.045,1133 1.308,1134 2.064,1135 1.795,1136 1.787,1137 1.972,1138 1.977,1139 1.269,1140 1.994,1141 1.76,1142 1.717,1143 1.902,1144 1.944,1145 1.208,1146 1.952,1147 1.714,1148 1.669,1149 1.891,1150 1.892,1151 1.168,1152 1.896,1153 1.547,1154 1.506,1155 1.789,1156 1.758,1157 1.095,1158 1.767,1159 1.533,1160 1.471,1161 1.703,1162 1.72,1163 0.909,1164 1.741,1165 1.389,1166 1.371,1167 1.572,1168 1.58,1169 0.851,1170 1.589,1171 4.615,1173 5.922,1174 2.398,1175 7.401,1176 4.595,1177 8.953,1178 6.529,1179 10.546,1180 1.837,1183 5.974,1184 21.488,1185 7.552,1186 8.421,1187 5.307,1189 -4.277,1190 1.252,1192 57.601,1193 159.222,1194 360.721,1195 502.467,1196 563.222,1197 579.487,1198 579.487,1199 202.329,1200 7.677,1201 183.32,1202 219.94,1203 23,1204 12.828,1205 4,1206 3.392,1207 93.492,1208 233,1209 240,1210 0.181,1211 361.459,1212 643.29,1213 873.721,1214 20677,1216 33.813,1217 0.719,1218 0.613,1219 34.417,1220 28.815,1221 22.534,1222 0.451,1223 0.381,1224 16.708,1225 20.446,1226 16.203,1227 13.359,1228 23.809,1229 19.045,1230 20.46,1231 0.301,1232 0.226,1233 22.397,1234 15.364,1235 15.894,1236 0.194,1237 0.14,1238 17.602,1239 11.474,1240 12.368,1241 0.124,1242 0.083,1243 13.979,1244 8.285,1245 9.798,1246 0.082,1247 0.049,1248 11.165,1249 5.776,1250 0.282,1251 154.305,1252 0.175,1253 40.312,1254 0.507,1255 236,1256 690.654,1257 321.421,1258 691.676,1259 905.15,1260 638,1261 268,1262 581.745,1263 356.225,1264 634.101,1265 918.75,1266 595,1267 6.523} {0 CHEMBL90683,1 1.585,2 13.75,3 2.162,4 4.673,5 152.104,6 6.777,7 0.143,8 4.52,9 4.644,10 4.085,11 3.976,12 5.484,13 3.929,14 5.139,15 5.326,16 4.368,17 4.393,18 6.229,19 4.303,20 5.492,21 5.732,22 4.447,23 4.588,24 6.449,25 4.45,26 5.573,27 5.823,28 4.484,29 4.574,30 6.604,31 4.451,32 5.565,33 5.811,34 4.567,35 4.547,36 6.849,37 4.458,38 5.542,39 5.775,40 4.539,41 4.606,42 6.62,43 4.508,44 5.638,45 5.878,46 4.564,47 4.638,48 6.757,49 4.547,50 5.622,51 5.864,52 4.485,53 4.618,54 6.832,55 4.507,56 0.161,57 1.222,58 24.544,59 8.244,60 28.92,61 11.536,62 0.735,63 1.927,64 42.4,65 14.277,66 94.097,67 20.004,68 1.023,69 2.399,70 64.775,71 19.492,72 132.181,73 27.201,74 1.163,75 2.431,76 72.877,77 18.971,78 183.611,79 27.616,80 1.866,81 2.374,82 67.496,83 17.697,84 291.382,85 26.337,86 1.037,87 2.476,88 66.762,89 18.774,90 158.087,91 26.935,92 1.295,93 2.582,94 73.004,95 19.058,96 207.683,97 28.386,98 1.721,99 2.499,100 70.023,101 19.672,102 270.673,103 28.912,104 54,105 56,106 0.241,107 0.525,108 0.748,109 0.842,110 0.86,111 0.86,112 3.717,113 1.138,114 -2.34,115 -2.37,116 -2.33,117 32.6,118 1,119 9,120 1,123 5,125 4,135 5,136 1,145 2,154 15,156 3,160 5,162 5,163 17,166 1,167 1,169 2,170 3,171 6,174 12,178 5,182 1,183 7,186 3,189 6,190 7,192 6,193 1,194 12,197 3,201 11,204 1,205 2,206 11,208 4,212 13,215 1,217 7,220 4,223 4,224 10,226 5,227 1,228 8,231 5,236 6,240 1,241 8,243 6,246 3442,247 26.515,248 26.515,249 26.515,250 26.515,251 26.515,252 25.163,253 26.557,254 16.083,255 26.893,256 20.688,257 20.688,258 20.688,259 20.688,260 20.688,261 18.496,262 32.317,263 7.645,264 21.277,265 4.841,266 2.978,267 1.51,268 0.896,269 0.776,270 0.776,271 4.395,276 1141,277 5.788,280 524.574,285 1.813,286 70.362,288 0.5,289 0.5,290 0.5,291 0.8,292 1,293 0.33,295 0.52,296 89,297 550,298 4.803,299 3.765,300 7.311,301 4.38,302 3.396,303 4.56,304 1.984,305 12.526,306 3.342,307 4.012,308 3.59,309 6.105,310 3.851,311 2.882,312 3.467,313 1.924,314 8.937,315 2.79,316 3.915,317 3.421,318 6.051,319 3.77,320 2.777,321 3.069,322 0.86,323 8.682,324 2.749,325 3.775,326 2.98,327 5.317,328 3.447,329 2.457,330 2.952,331 0.4,332 6.865,333 2.434,334 3.54,335 2.733,336 5.297,337 3.416,338 2.422,339 2.639,340 0.349,341 6.768,342 2.401,343 3.452,344 2.558,345 5.09,346 3.296,347 2.307,348 2.453,349 0.148,350 6.209,351 2.272,352 3.137,353 2.463,354 4.921,355 3.048,356 2.077,357 2.143,359 5.498,360 2.006,361 3.123,362 2.369,363 4.854,364 2.939,365 2.007,366 2.129,368 5.312,369 1.857,370 2.928,371 2.006,372 4.113,373 2.523,374 1.528,375 2.083,377 3.625,378 1.517,379 2.5,380 1.674,381 3.903,382 2.476,383 1.484,384 1.5,386 3.255,387 1.469,388 2.488,389 1.621,390 3.643,391 2.224,392 1.286,393 1.486,395 2.952,396 1.2,397 2.474,398 1.453,399 3.556,400 2.045,401 1.142,402 1.427,404 2.723,405 1.024,406 2.245,407 1.438,408 3.517,409 2,410 1.031,411 1.211,413 2.584,414 1,415 2.101,416 1.364,417 3.247,418 2,419 1,420 1.08,422 2.136,423 1,424 2,425 1.256,426 3.247,427 1.989,428 1,429 1,431 2.136,432 0.974,433 18.767,434 0.469,435 0.998,436 0.025,437 36.75,438 0.919,439 12,440 0.3,441 24.75,442 0.619,443 51.847,444 1.296,445 49.033,446 0.57,447 34.359,448 0.859,449 6.428,450 0.161,451 12.746,452 0.319,453 0.133,454 0.044,455 0.234,459 0.735,460 1.599,461 0.931,462 1.44,463 0.713,464 1.192,465 0.718,466 1.279,467 0.99,468 1.194,469 0.585,470 1.193,471 0.947,472 1.06,473 1.126,474 1.115,475 0.921,476 1.067,477 1.157,478 1.119,479 1.125,480 1.116,481 1.286,482 1,483 0.988,484 0.902,485 0.848,486 0.804,487 1.11,488 0.846,489 1.198,490 1.1,491 1.065,492 1.039,493 1.225,494 0.994,495 1.332,496 1.018,497 1.014,498 0.947,499 1.433,500 0.955,501 1.08,502 0.948,503 0.962,504 0.914,505 1.183,506 0.992,507 9,508 0.351,509 4.222,510 2.563,511 2.311,512 1.451,513 1.021,514 0.837,515 0.464,516 0.399,517 24908,518 62255,519 1.975,520 53.5,521 14,522 19,525 5,527 6,528 2,529 1.805,530 1.839,531 3.728,532 2.21,535 136.317,536 1.585,537 3.448,538 4.916,539 5.531,540 5.65,541 5.65,542 3.002,543 4.753,544 5.297,545 3.934,546 3068.67,547 9.379,548 55346.9,552 552.659,553 1.516,554 5.24,555 0.214,556 0.007,557 0.075,558 0.045,559 0.041,560 0.022,561 0.016,562 0.013,563 0.008,564 0.008,565 0.449,566 0.17,567 0.63,568 1.105,569 226.773,570 -0.001,571 -0.162,572 0.157,573 -0.069,574 -0.093,575 0.016,576 0.153,577 -0.048,578 -0.018,579 -0.074,580 0.129,581 -0.112,582 -0.014,583 0.011,584 -0.047,585 -0.029,586 -0.039,587 -0.046,588 -0.08,589 -0.112,590 -0.014,591 -0.072,592 -0.092,593 -0.017,594 0.222,595 0.078,596 0.129,597 0.099,598 0.206,599 0.091,600 -0.103,601 -0.045,602 -0.025,603 -0.021,604 -0.076,605 -0.004,606 -0.144,607 -0.015,608 -0.027,609 -0.008,610 -0.108,611 0.001,612 0.078,613 0.028,614 -0.033,615 0.001,616 0.08,617 -0.032,618 4.878,619 6.19,620 0.45,621 46.55,622 1.004,623 1.141,624 1.105,625 1.221,626 0.614,627 3.761,628 4.043,629 4.205,630 4.369,631 4.554,632 4.466,633 4.543,634 4.585,635 4.575,636 4.564,637 8.6,638 0.574,639 582.85,640 3.761,641 5.283,642 6.089,643 6.938,644 7.765,645 8.618,646 9.455,647 10.311,648 11.153,649 12.01,650 4.7,652 1,653 1,657 2,662 5,666 1,667 6,676 86,677 10,678 1,679 42,680 88,681 28,682 6,683 1,684 5,686 3,687 3,690 1,694 5,695 1,697 13,698 8,699 20,700 1,701 4,703 1,704 4,708 2,713 46,714 11,715 5,716 12,717 1,719 4,721 1,722 7,724 2,732 3,740 2,751 2,752 1,753 3,755 1,756 1,759 40,761 1,762 2,763 14,764 3,765 1,767 5,768 1,772 8.1,773 2,775 4,776 1,778 21.75,779 14.433,780 9.014,781 5.519,783 0.785,784 1.108,785 0.887,786 13.632,787 8.065,788 3.912,789 4.337,790 4.562,791 4.841,792 5.201,793 5.036,794 5.206,795 5.407,796 5.51,797 5.54,798 0.889,799 57,800 15.471,801 6.966,802 7.965,803 28.839,804 24.116,805 2.465,806 98.583,809 482.615,810 112.683,811 53.945,813 190.969,815 5.569,816 107.114,817 673.585,818 53.945,819 8.825,820 74.334,821 154.722,822 115.012,823 4.704,825 482.615,827 482.615,828 161.059,829 190.969,830 5.569,831 388.446,832 188.772,833 96.367,835 101.083,836 59.976,837 5.569,839 482.615,840 244.914,841 112.683,843 5.569,844 482.615,845 50.908,846 57.725,847 52.426,848 190.969,849 482.615,850 244.914,851 112.683,852 0.571,853 0.319,854 0.16,855 0.092,856 21,857 11,858 0.17,859 15,861 1,862 4.843,863 371.379,865 18,866 198.877,869 1,870 32.77,871 16.639,872 11.227,874 244.914,875 9.053,879 0.766,880 137.793,881 840.213,882 49,884 -3.962,885 52.108,889 -1.102,891 86.33,892 98.098,893 0.247,894 0.537,895 0.765,896 0.861,897 0.879,898 0.879,899 5.162,900 2.007,901 6.075,902 5.498,903 4.727,904 5.024,905 2.772,906 6.849,907 4.677,908 6.31,909 1.528,910 7.62,911 5.312,912 4.369,913 4.987,914 2.179,915 7.915,916 4.32,917 7.605,918 1.484,919 9.281,920 3.625,921 6.323,922 7.061,923 3.72,924 10.929,925 6.236,926 8.937,927 1.286,928 11.016,929 3.255,930 6.792,931 7.924,932 3.785,933 12.896,934 6.707,935 10.316,936 1.142,937 12.804,938 2.952,939 8.245,940 9.58,941 4.897,942 15.523,943 8.128,944 11.726,945 1.031,946 14.632,947 2.723,948 9.098,949 10.823,950 5.247,951 17.842,952 8.976,953 13.164,954 1,955 16.491,956 2.584,957 10.367,958 12.37,959 6.158,960 20.379,961 10.22,962 3.396,963 1,964 18.375,965 2.136,966 11.403,967 13.768,968 6.653,969 22.828,970 11.246,971 2.882,972 12.526,973 20.278,974 2.136,975 12.611,976 15.289,977 7.458,978 25.349,979 12.434,980 2.777,981 8.937,982 22.197,983 4.56,984 13.735,985 16.753,986 8.032,987 27.846,988 13.545,989 2.457,990 8.682,991 24.129,992 3.467,993 14.929,994 18.267,995 8.779,996 30.367,997 14.721,998 2.422,999 6.865,1000 26.072,1001 3.069,1002 16.096,1003 19.76,1004 9.396,1005 32.881,1006 15.873,1007 2.307,1008 6.768,1009 28.023,1010 2.952,1011 17.292,1012 21.274,1013 10.11,1014 35.405,1015 17.053,1016 2.077,1017 6.209,1018 29.982,1019 2.639,1020 18.481,1021 22.779,1022 10.752,1023 37.927,1024 18.227,1025 24484,1026 39079,1027 27.216,1028 52.841,1029 61.013,1030 63.387,1031 62.924,1032 60.97,1033 60.975,1034 69.905,1035 11.332,1036 167.256,1037 59.309,1038 5.803,1039 5.765,1040 7.113,1041 5.484,1042 5.396,1043 7.56,1044 3.474,1045 19.913,1046 5.342,1047 22.762,1048 1.453,1049 1.509,1050 1.498,1051 1.452,1052 1.452,1053 1.664,1054 0.27,1055 3.982,1056 1.412,1057 4.048,1058 4.059,1059 4.723,1060 3.949,1061 7.717,1062 3.898,1063 3.928,1064 3.969,1065 3.861,1066 3.834,1067 7.433,1068 3.799,1069 3.893,1070 3.917,1071 3.798,1072 3.811,1073 7.423,1074 3.771,1075 3.765,1076 3.818,1077 3.643,1078 3.614,1079 6.999,1080 3.61,1081 3.684,1082 3.734,1083 3.581,1084 3.472,1085 6.461,1086 3.493,1087 3.592,1088 3.638,1089 3.517,1090 3.394,1091 6.436,1092 3.394,1093 3.5,1094 3.532,1095 3.423,1096 3.318,1097 4.753,1098 3.293,1099 3.354,1100 3.376,1101 3.243,1102 3.18,1103 4.611,1104 3.171,1105 0.114,1106 0.09,1107 0.174,1108 0.104,1109 0.081,1110 4.803,1111 0.109,1112 3.765,1113 0.047,1114 7.311,1115 0.298,1116 4.38,1117 0.08,1118 3.396,1119 4.56,1120 1.984,1121 12.526,1122 3.342,1123 1.931,1124 1.904,1125 2.127,1126 2.06,1127 1.536,1128 2.083,1129 1.914,1130 1.863,1131 2.054,1132 2.045,1133 1.307,1134 2.064,1135 1.792,1136 1.786,1137 1.971,1138 1.977,1139 1.267,1140 1.993,1141 1.745,1142 1.695,1143 1.901,1144 1.934,1145 1.205,1146 1.946,1147 1.614,1148 1.562,1149 1.822,1150 1.852,1151 1.104,1152 1.843,1153 1.539,1154 1.484,1155 1.749,1156 1.756,1157 0.93,1158 1.767,1159 1.397,1160 1.364,1161 1.604,1162 1.637,1163 0.853,1164 1.653,1165 1.248,1166 1.246,1167 1.57,1168 1.476,1169 0.825,1170 1.508,1171 4.443,1173 5.733,1175 7.204,1177 8.751,1179 10.339,1180 1.834,1184 20.885,1185 7.448,1186 7.945,1187 5.242,1189 -2.881,1190 1.246,1192 49.339,1193 136.317,1194 296.567,1195 422.784,1196 475.639,1197 485.904,1198 485.904,1199 179.5,1200 7.28,1201 157.3,1202 165.68,1203 18,1204 12.566,1205 3.459,1206 3,1207 86.885,1208 209,1209 186,1210 0.196,1211 308.821,1212 555.82,1213 745.282,1214 13562,1216 28.96,1217 0.724,1218 0.607,1219 29.21,1220 24.281,1221 19.174,1222 0.457,1223 0.379,1224 14.411,1225 17.609,1226 14.044,1227 11.588,1228 19.995,1229 15.938,1230 17.149,1231 0.306,1232 0.225,1233 18.45,1234 12.576,1235 13.121,1236 0.199,1237 0.142,1238 14.212,1239 9.359,1240 9.918,1241 0.127,1242 0.085,1243 10.974,1244 6.66,1245 8.052,1246 0.086,1247 0.051,1248 9.021,1249 4.748,1250 0.312,1251 129.36,1252 0.192,1253 36.056,1254 0.528,1255 196,1256 602.481,1257 257.222,1258 580.054,1259 750.75,1260 534,1261 220,1262 480.219,1263 289.858,1264 514.509,1265 744.27,1266 483,1267 5} {0 CHEMBL94762,1 1.489,2 16.039,3 2.135,4 4.56,5 194.298,6 6.623,7 0.309,8 4.728,9 4.866,10 4.17,11 4.217,12 5.745,13 4.178,14 5.317,15 5.509,16 4.511,17 4.648,18 6.265,19 4.566,20 5.697,21 5.946,22 4.576,23 4.819,24 6.637,25 4.697,26 5.782,27 6.044,28 4.581,29 4.815,30 6.746,31 4.695,32 5.771,33 6.024,34 4.736,35 4.829,36 6.904,37 4.739,38 5.81,39 6.04,40 4.841,41 4.914,42 6.937,43 4.84,44 5.936,45 6.168,46 4.876,47 5.002,48 7.034,49 4.925,50 5.977,51 6.215,52 4.9,53 5.082,54 7.059,55 4.983,56 0.108,57 1.548,58 25.087,59 9.823,60 24.24,61 14.116,62 0.415,63 2.506,64 46.364,65 16.971,66 56.302,67 25.024,68 0.909,69 3.126,70 70.056,71 22.651,72 133.656,73 34.257,74 1.056,75 3.177,76 77.595,77 23.512,78 155.282,79 35.472,80 1.457,81 3.186,82 77.085,83 23.328,84 241.254,85 35.024,86 1.178,87 3.427,88 79.552,89 24.316,90 198.125,91 36.218,92 1.413,93 3.768,94 91.341,95 26.505,96 224.88,97 39.292,98 1.555,99 4.067,100 94.2,101 28.732,102 256.839,103 43.09,104 37,105 73,106 0.215,107 0.524,108 0.742,109 0.866,110 0.884,111 0.884,112 3.954,113 1.018,114 -2.53,115 -2.55,116 -2.49,117 36.8,119 13,120 2,123 2,125 5,135 8,136 1,138 1,139 2,141 1,145 3,147 1,148 1,149 1,150 1,154 19,156 1,157 9,160 3,162 6,163 21,165 2,167 7,169 1,170 3,171 8,174 15,178 7,180 1,181 2,182 1,183 7,186 12,189 4,190 6,192 6,193 1,194 11,197 11,200 1,201 12,203 1,204 4,205 2,206 14,208 8,210 1,212 18,215 2,216 1,217 16,220 13,222 1,223 2,224 9,226 4,228 13,231 17,233 1,235 3,236 13,238 1,239 3,240 2,241 10,242 1,243 19,245 1,246 7202,247 34.482,248 34.482,249 34.482,250 34.482,251 34.482,252 31.968,253 32.595,254 20.926,255 34.907,256 27.167,257 27.167,258 27.167,259 27.167,260 27.167,261 23.434,262 35.411,263 10.062,264 27.845,265 5.239,266 3.099,267 1.59,268 0.731,269 0.604,270 0.604,271 4.651,276 1747,277 5.916,279 190.456,280 907.909,285 2.161,286 75.108,288 0.25,289 0.33,290 0.33,291 0.7,292 1,293 0.17,295 0.4,296 110.5,297 818,298 4.145,299 3.833,300 6.374,301 3.988,302 3.012,303 3.509,304 1.97,305 9.632,306 2.948,307 4.045,308 3.732,309 6.207,310 3.913,311 2.933,312 3.473,313 1.94,314 9.227,315 2.861,316 3.95,317 3.599,318 6.048,319 3.767,320 2.797,321 3.446,322 1.891,323 8.687,324 2.712,325 3.906,326 3.144,327 5.882,328 3.652,329 2.67,330 3.221,331 0.555,332 8.161,333 2.609,334 3.885,335 2.755,336 5.428,337 3.521,338 2.543,339 3.122,340 0.313,341 7.137,342 2.489,343 3.798,344 2.723,345 5.331,346 3.437,347 2.457,348 2.953,349 0.062,350 6.919,351 2.399,352 3.662,353 2.713,354 5.311,355 3.408,356 2.432,357 2.804,359 6.838,360 2.39,361 3.484,362 2.586,363 5.282,364 3.347,365 2.361,366 2.487,368 6.687,369 2.299,370 3.336,371 2.528,372 5.02,373 3.228,374 2.24,375 2.353,377 6.004,378 2.207,379 3.006,380 2.14,381 4.926,382 2.894,383 1.934,384 2.122,386 5.464,387 1.851,388 2.932,389 2.076,390 4.356,391 2.557,392 1.56,393 2.088,395 4.116,396 1.547,397 2.862,398 2.006,399 4.055,400 2.493,401 1.503,402 1.923,404 3.363,405 1.487,406 2.696,407 1.887,408 3.799,409 2.426,410 1.435,411 1.718,413 3.184,414 1.419,415 2.621,416 1.595,417 3.704,418 2.387,419 1.397,420 1.602,422 3.131,423 1.376,424 2.5,425 1.472,426 3.594,427 2.268,428 1.301,429 1.5,431 2.99,432 1.249,433 23.967,434 0.47,435 1.099,436 0.022,437 52.75,438 1.034,439 20.5,440 0.402,441 32.25,442 0.632,443 68.893,444 1.351,445 58.833,446 0.555,447 50.781,448 0.996,449 9.537,450 0.187,451 15.209,452 0.298,453 0.086,455 0.288,459 0.845,460 1.397,461 0.937,462 1.188,463 0.718,464 1.086,465 0.702,466 1.334,467 1.029,468 1.271,469 0.635,470 1.206,471 0.969,472 1.065,473 1.049,474 1.082,475 0.957,476 1.074,477 1.313,478 0.968,479 1.048,480 0.975,481 1.387,482 0.975,483 1.083,484 0.918,485 0.879,486 0.898,487 1.165,488 0.868,489 1.265,490 1.078,491 0.972,492 1.039,493 1.321,494 0.975,495 1.739,496 0.992,497 1.127,498 0.947,499 1.863,500 0.954,501 1.343,502 1.006,503 1.098,504 0.979,505 1.377,506 1.001,507 9.5,508 0.442,509 4.889,510 2.66,511 2.631,512 1.924,513 1.566,514 1.046,515 0.885,516 0.742,517 48354,518 109966,519 2.06,520 51.9,521 13,522 17,523 1,524 2,525 7,526 7,527 4,528 4,529 1.866,530 1.949,531 3.9,532 3.458,535 157.793,536 1.489,537 3.629,538 5.138,539 5.997,540 6.124,541 6.124,542 3.34,543 5.241,544 5.643,545 4.086,546 5209.1,547 10.107,548 108554,552 713.16,553 1.312,554 5.613,555 0.173,556 0.004,557 0.067,558 0.036,559 0.037,560 0.022,561 0.016,562 0.011,563 0.009,564 0.007,565 0.382,566 0.17,567 0.38,568 0.474,569 307.147,570 -0.079,571 -0.057,572 0.024,573 0.034,574 -0.051,575 0.042,576 0.06,577 -0.125,578 -0.069,579 -0.14,580 0.013,581 -0.128,582 0.006,583 -0.031,584 -0.06,585 -0.07,586 -0.017,587 -0.072,588 -0.096,589 -0.005,590 -0.028,591 -0.009,592 -0.111,593 -0.009,594 0.192,595 0.057,596 0.15,597 0.071,598 0.182,599 0.099,600 0.058,601 -0.052,602 0.062,603 -0.04,604 0.065,605 0.006,606 -0.189,607 0.006,608 -0.064,609 0.023,610 -0.173,611 0.001,612 -0.057,613 0.016,614 -0.068,615 0.013,616 -0.03,617 -0.024,618 2.553,619 7.191,620 0.569,621 70.408,622 0.996,623 1.137,624 1.297,625 1.682,626 0.628,627 4.025,628 4.304,629 4.511,630 4.691,631 4.875,632 4.875,633 4.963,634 5.081,635 5.187,636 5.231,637 9.486,638 0.588,639 702.01,640 4.025,641 5.549,642 6.368,643 7.212,644 8.046,645 8.893,646 9.734,647 10.583,648 11.428,649 12.28,650 6.6,651 1,657 3,658 1,660 2,662 11,663 2,664 1,666 3,667 17,676 106,677 20,678 1,679 55,680 110,681 39,682 14,683 1,684 5,686 5,687 5,694 8,695 1,697 18,698 17,699 22,700 2,701 3,704 3,708 3,713 55,714 11,715 7,716 12,718 1,719 7,721 1,722 5,724 2,728 1,731 1,732 4,740 2,741 1,747 1,751 2,753 5,759 51,760 1,762 2,763 15,764 2,767 7,768 1,772 4.7,773 2,775 3,778 26.167,779 17.583,780 11.389,781 6.728,783 1.305,784 1.165,785 0.917,786 15.175,787 9.233,788 4.212,789 4.647,790 5.016,791 5.379,792 5.678,793 5.57,794 5.748,795 5.97,796 6.141,797 6.214,798 0.909,799 73,800 19.335,801 8.489,802 7.781,803 36.945,804 31.202,805 2.281,806 116.333,809 565.013,810 162.497,811 122.4,813 160.801,816 162.497,817 725.814,818 122.4,820 109.203,821 170.224,822 155.281,823 34.532,824 11.771,825 529.7,827 565.013,828 284.896,829 160.801,831 470.844,832 169.604,833 85.367,835 149.168,836 102.157,837 33.571,839 565.013,840 283.201,841 162.497,844 565.013,845 59.973,846 105.648,847 52.807,848 227.27,849 565.013,850 283.201,851 162.497,852 0.572,853 0.325,854 0.166,855 0.091,856 29,857 14,858 0.155,859 17,861 1,862 5.667,863 546.061,865 29,866 277.294,870 38.769,871 19.963,872 12.331,874 266.416,875 20.024,876 8.641,877 2.911,879 2.302,880 171.071,881 1010.71,882 66.5,885 41.771,889 -0.99,891 105.556,892 120.5,893 0.221,894 0.539,895 0.764,896 0.891,897 0.91,898 0.91,899 5.448,900 2.361,901 6.323,902 6.838,903 4.99,904 5.335,905 3.012,906 7.055,907 4.943,908 6.576,909 2.24,910 7.836,911 6.687,912 4.443,913 4.832,914 2.575,915 7.779,916 4.375,917 7.823,918 1.934,919 9.446,920 6.004,921 6.515,922 7.228,923 4.031,924 10.846,925 6.421,926 9.094,927 1.56,928 11.114,929 5.464,930 6.792,931 7.513,932 4.161,933 12.386,934 6.672,935 10.396,936 1.503,937 12.82,938 4.116,939 8.294,940 9.384,941 5.217,942 14.943,943 8.153,944 11.716,945 1.435,946 14.551,947 3.363,948 8.955,949 10.031,950 5.597,951 16.832,952 8.785,953 13.051,954 1.397,955 16.3,956 3.184,957 10.212,958 11.669,959 6.469,960 19.199,961 10.024,962 3.012,963 1.301,964 18.062,965 3.131,966 11.067,967 12.509,968 6.978,969 21.256,970 10.849,971 2.933,972 9.632,973 19.835,974 2.99,975 12.214,976 14.024,977 7.754,978 23.544,979 11.977,980 2.797,981 9.227,982 21.616,983 3.509,984 13.169,985 14.979,986 8.333,987 25.687,988 12.905,989 2.67,990 8.687,991 23.404,992 3.473,993 14.268,994 16.417,995 9.058,996 27.943,997 13.983,998 2.543,999 8.161,1000 25.198,1001 3.446,1002 15.277,1003 17.449,1004 9.675,1005 30.13,1006 14.966,1007 2.457,1008 7.137,1009 26.997,1010 3.221,1011 16.356,1012 18.836,1013 10.372,1014 32.374,1015 16.023,1016 2.432,1017 6.919,1018 28.8,1019 3.122,1020 17.395,1021 19.921,1022 11.01,1023 34.586,1024 17.037,1025 45883,1026 69421,1027 36.868,1028 66.586,1029 81.394,1030 82.969,1031 81.927,1032 80.206,1033 80.298,1034 95.216,1035 13.466,1036 217.564,1037 78.392,1038 5.145,1039 5.833,1040 6.176,1041 5.032,1042 5.012,1043 6.509,1044 3.449,1045 16.455,1046 4.948,1047 24.295,1048 1.48,1049 1.509,1050 1.49,1051 1.458,1052 1.46,1053 1.731,1054 0.245,1055 3.956,1056 1.425,1057 4.022,1058 4.071,1059 3.938,1060 3.907,1061 7.436,1062 3.904,1063 3.92,1064 3.964,1065 3.842,1066 3.828,1067 7.426,1068 3.822,1069 3.902,1070 3.96,1071 3.827,1072 3.77,1073 7.422,1074 3.769,1075 3.872,1076 3.922,1077 3.768,1078 3.736,1079 6.493,1080 3.747,1081 3.858,1082 3.914,1083 3.755,1084 3.7,1085 6.401,1086 3.706,1087 3.735,1088 3.786,1089 3.642,1090 3.561,1091 5.007,1092 3.571,1093 3.681,1094 3.724,1095 3.576,1096 3.531,1097 4.985,1098 3.535,1099 3.551,1100 3.599,1101 3.451,1102 3.358,1103 4.885,1104 3.375,1105 0.075,1106 0.07,1107 0.116,1108 0.073,1109 0.055,1110 4.145,1111 0.064,1112 3.833,1113 0.036,1114 6.374,1115 0.175,1116 3.988,1117 0.054,1118 3.012,1119 3.509,1120 1.97,1121 9.632,1122 2.948,1123 1.936,1124 1.906,1125 2.127,1126 2.065,1127 1.535,1128 2.084,1129 1.916,1130 1.867,1131 2.072,1132 2.051,1133 1.386,1134 2.059,1135 1.865,1136 1.823,1137 2.03,1138 2.002,1139 1.308,1140 2.016,1141 1.832,1142 1.774,1143 2.013,1144 1.998,1145 1.301,1146 2.006,1147 1.742,1148 1.697,1149 1.901,1150 1.93,1151 1.154,1152 1.924,1153 1.662,1154 1.618,1155 1.849,1156 1.844,1157 1.104,1158 1.846,1159 1.599,1160 1.556,1161 1.789,1162 1.767,1163 1.004,1164 1.774,1165 1.444,1166 1.38,1167 1.698,1168 1.698,1169 0.906,1170 1.679,1171 4.71,1173 5.999,1174 2.398,1175 7.463,1176 4.443,1177 9,1178 6.26,1179 10.575,1183 6.069,1184 22.654,1185 9.595,1186 6.009,1189 -4.429,1190 1.777,1192 62.367,1193 157.793,1194 384.707,1195 544.591,1196 635.65,1197 649.16,1198 649.16,1199 184.398,1200 7.928,1201 186.56,1202 186.56,1203 29,1204 12.838,1205 4.392,1206 3.644,1207 92.356,1208 280,1209 329,1210 0.148,1211 383.245,1212 680.67,1213 926.877,1214 29913,1216 36.003,1217 0.706,1218 0.579,1219 36.003,1220 29.537,1221 24.745,1222 0.45,1223 0.339,1224 18.461,1225 23.94,1226 18.161,1227 14.973,1228 24.745,1229 18.665,1230 21.723,1231 0.298,1232 0.197,1233 21.723,1234 14.407,1235 17.727,1236 0.197,1237 0.116,1238 17.727,1239 10.479,1240 13.59,1241 0.126,1242 0.068,1243 13.59,1244 7.385,1245 10.749,1246 0.083,1247 0.041,1248 10.749,1249 5.311,1250 0.232,1251 154.446,1252 0.165,1253 43.338,1254 0.407,1255 256,1256 678.752,1257 279.284,1258 652.287,1259 864.79,1260 608,1261 291,1262 603.469,1263 314.232,1264 607.296,1265 876.1,1266 574,1267 4} {0 CHEMBL94797,1 1.457,2 12.171,3 3.281,4 10.762,5 158.831,6 6.238,7 0.143,8 4.558,9 4.706,10 3.93,11 4.006,12 5.56,13 3.953,14 5.152,15 5.368,16 4.271,17 4.406,18 6.106,19 4.314,20 5.511,21 5.759,22 4.375,23 4.6,24 6.471,25 4.479,26 5.652,27 5.937,28 4.462,29 4.639,30 6.585,31 4.525,32 5.652,33 5.897,34 4.567,35 4.661,36 6.852,37 4.582,38 5.714,39 5.957,40 4.54,41 4.759,42 6.773,43 4.652,44 5.816,45 6.086,46 4.622,47 4.858,48 6.747,49 4.73,50 5.874,51 6.131,52 4.658,53 4.918,54 6.872,55 4.793,56 0.113,57 1.277,58 22.512,59 8.681,60 17.965,61 12.594,62 0.431,63 1.987,64 40.753,65 13.869,66 58.077,67 21.166,68 0.95,69 2.5,70 59.027,71 17.611,72 121.745,73 27.542,74 0.879,75 2.666,76 67.448,77 18.469,78 116.753,79 29.98,80 1.4,81 2.694,82 69.549,83 17.938,84 244.622,85 28.725,86 1.3,87 2.912,88 73.198,89 20.424,90 198.823,91 31.95,92 1.011,93 3.165,94 78.892,95 24.534,96 152.412,97 37.632,98 1.237,99 3.374,100 84.499,101 25.457,102 206.39,103 39.024,104 154,105 56,106 0.219,107 0.488,108 0.713,109 0.774,110 0.798,111 0.814,112 3.741,113 1.071,114 -3.23,115 -3.22,116 -3.09,117 33.7,118 6,119 6,120 3,123 2,125 4,135 5,136 1,145 4,152 1,154 17,157 3,160 4,162 5,163 16,166 1,167 4,169 3,170 3,171 9,174 8,178 11,181 2,182 1,183 9,186 3,189 2,190 12,192 3,193 1,194 11,197 5,200 2,201 7,204 1,205 1,206 11,208 5,212 9,215 3,216 1,217 14,220 12,224 9,226 1,227 2,228 15,231 21,235 2,236 9,239 1,241 11,243 27,246 3841,247 26.327,248 26.327,249 26.327,250 26.327,251 26.327,252 24.902,253 24.596,254 15.899,255 26.484,256 20.73,257 20.73,258 20.73,259 20.73,260 20.73,261 18.558,262 27.33,263 7.579,264 20.992,265 5.066,266 3.283,267 1.787,268 1.378,269 1.223,270 1.114,271 4.404,275 1,276 997,277 6.403,280 363.33,285 1.59,286 58.209,288 0.75,289 0.5,290 0.67,291 0.9,292 1,293 0.67,294 0.5,295 0.71,296 89.5,297 499,298 4.11,299 3.787,300 6.378,301 3.976,302 2.998,303 3.463,304 1.97,305 9.625,306 2.93,307 4.078,308 3.779,309 6.361,310 3.939,311 2.951,312 3.23,313 1.956,314 9.537,315 2.907,316 3.943,317 3.484,318 6.071,319 3.769,320 2.796,321 3.22,322 1.891,323 8.779,324 2.718,325 3.73,326 3.48,327 5.583,328 3.597,329 2.615,330 2.793,331 1.886,332 7.68,333 2.569,334 3.571,335 3.056,336 5.296,337 3.395,338 2.407,339 2.664,340 0.4,341 6.786,342 2.371,343 3.466,344 2.765,345 5.093,346 3.19,347 2.204,348 2.595,349 0.313,350 6.186,351 2.17,352 3.445,353 2.555,354 4.734,355 3.108,356 2.081,357 2.533,358 0.248,359 5.095,360 2.118,361 3.19,362 2.426,363 4.615,364 3.062,365 2.048,366 2.207,367 0.062,368 4.959,369 2.055,370 3.003,371 2.416,372 4.579,373 2.819,374 1.814,375 2.048,377 4.616,378 1.812,379 2.924,380 2.208,381 4.524,382 2.691,383 1.682,384 2.002,386 4.259,387 1.686,388 2.83,389 1.652,390 3.963,391 2.487,392 1.493,393 1.837,395 3.301,396 1.482,397 2.5,398 1.443,399 3.588,400 2.381,401 1.383,402 1.5,404 3.009,405 1.378,406 2.419,407 1.373,408 3.554,409 2,410 1.045,411 1.415,413 2.653,414 1,415 2.121,416 1.262,417 3.247,418 2,419 1,420 1.097,422 2.136,423 1,424 2,425 1.262,426 3.247,427 2,428 1,429 1,431 2.136,432 0.991,433 19.167,434 0.467,435 1.22,436 0.03,437 36.5,438 0.89,439 12,440 0.293,441 24.5,442 0.598,443 59.499,444 1.451,445 49.833,446 0.542,447 34.706,448 0.846,449 6.469,450 0.158,451 12.897,452 0.315,453 0.243,455 0.334,459 0.74,460 1.496,461 1.005,462 1.343,463 0.634,464 1.226,465 0.617,466 1.381,467 0.953,468 1.251,469 0.525,470 1.163,471 1.031,472 1.157,473 1.12,474 1.112,475 1.023,476 1.125,477 1.048,478 0.99,479 0.906,480 0.904,481 0.903,482 0.87,483 1.467,484 1.044,485 1.102,486 0.937,487 1.384,488 0.95,489 1.471,490 1.039,491 1.219,492 1.006,493 1.428,494 1.058,495 0.981,496 1.018,497 0.921,498 0.997,499 0.939,500 0.957,501 1.26,502 1.03,503 1.077,504 1.004,505 1.207,506 1.014,507 10,508 0.504,509 3.778,510 3.125,511 2.622,512 1.125,513 1.366,514 0.957,515 0.819,516 0.682,517 22754,518 54455,519 1.888,520 55.4,521 22,522 13,525 5,526 6,527 5,529 1.817,530 1.72,531 3.559,532 2.135,535 134.075,536 1.457,537 3.241,538 4.737,539 5.145,540 5.3,541 5.409,542 2.851,543 4.967,544 5.331,545 3.756,546 3079.82,547 9.485,548 55354.7,552 600.168,553 1.561,554 5.252,555 0.238,556 0.007,557 0.067,558 0.054,559 0.041,560 0.016,561 0.02,562 0.013,563 0.011,564 0.009,565 0.476,566 0.17,567 0.63,568 1.818,569 230.927,570 -0.023,571 -0.054,572 0.014,573 -0.017,574 -0.048,575 -0.001,576 0.133,577 -0.146,578 0.04,579 -0.095,580 0.087,581 -0.053,582 0.015,583 -0.053,584 -0.098,585 -0.089,586 -0.067,587 -0.114,588 -0.017,589 0.016,590 0.103,591 0.031,592 -0.001,593 0.083,594 -0.005,595 0.004,596 -0.017,597 0.011,598 0.079,600 -0.131,601 0.027,602 -0.155,603 -0.021,604 -0.114,605 -0.081,606 0.015,607 -0.016,608 0.071,609 0.011,610 -0.006,611 0.045,612 -0.096,613 -0.011,614 -0.054,615 0.001,616 -0.07,617 -0.019,618 2.369,619 6.312,620 0.293,621 45.444,622 0.994,623 1.142,624 2.001,625 4.004,626 0.607,627 3.761,628 4.043,629 4.174,630 4.369,631 4.489,632 4.394,633 4.543,634 4.644,635 4.71,636 4.71,637 7.937,638 0.563,639 573.87,640 3.761,641 5.283,642 6.08,643 6.93,644 7.75,645 8.601,646 9.431,647 10.281,648 11.117,649 11.969,650 5.4,653 1,657 4,662 5,666 1,667 6,676 92,677 10,678 1,679 42,680 93,681 31,682 6,683 1,684 5,686 2,687 2,690 6,694 5,695 1,697 10,698 10,699 21,700 3,701 4,704 4,708 4,713 51,714 10,715 5,716 10,719 5,720 1,721 1,722 5,724 1,732 2,740 3,751 1,753 2,756 6,759 41,762 1,763 8,764 4,767 7,768 1,772 5.4,773 1,775 4,778 23.833,779 17.317,780 9.222,781 5.886,783 0.815,784 1.114,785 0.875,786 14.976,787 7.959,788 3.912,789 4.297,790 4.508,791 4.841,792 5.127,793 4.885,794 5.098,795 5.307,796 5.491,797 5.576,798 0.875,799 58,800 15.477,801 6.511,802 7.882,803 29.402,804 23.796,805 2.382,806 97.667,809 541.471,810 141.755,811 74.922,813 143.263,816 141.755,817 684.734,818 74.922,819 52.951,820 91.339,821 90.065,822 119.398,823 6.187,825 541.471,827 541.471,828 216.678,829 143.263,831 482.615,832 159.435,833 42.683,835 147.292,836 69.385,839 541.471,840 218.185,841 141.755,844 541.471,845 41.423,846 103.334,847 71.92,848 143.263,849 541.471,850 218.185,851 141.755,852 0.574,853 0.308,854 0.165,855 0.092,856 19,857 13,858 0.161,859 15,861 1,862 4.668,863 385.71,865 12,866 207.66,870 34.887,871 17.6,872 12.614,874 218.185,875 9.571,879 0.936,880 114.604,881 901.411,882 49,885 50.147,889 -1.308,891 91.468,892 105.088,893 0.223,894 0.497,895 0.726,896 0.789,897 0.813,898 0.829,899 5.162,900 2.048,901 6.066,902 5.095,903 4.727,904 4.984,905 3.269,906 6.815,907 4.7,908 6.299,909 1.814,910 7.596,911 4.959,912 4.369,913 4.705,914 2.813,915 7.624,916 4.341,917 7.553,918 1.682,919 9.225,920 4.616,921 6.263,922 6.784,923 4.304,924 10.666,925 6.196,926 8.825,927 1.493,928 10.91,929 4.259,930 6.648,931 7.195,932 4.412,933 12.271,934 6.572,935 10.125,936 1.383,937 12.631,938 3.301,939 8.066,940 8.855,941 5.488,942 14.836,943 7.956,944 11.44,945 1.045,946 14.379,947 3.009,948 8.796,949 9.568,950 5.848,951 16.787,952 8.671,953 12.769,954 1,955 16.145,956 2.653,957 10.017,958 11.07,959 6.732,960 19.164,961 9.863,962 2.998,963 1,964 17.926,965 2.136,966 10.919,967 11.935,968 7.226,969 21.274,970 10.746,971 2.951,972 9.625,973 19.719,974 2.136,975 12.053,976 13.364,977 8.009,978 23.574,979 11.855,980 2.796,981 9.537,982 21.52,983 3.463,984 13.042,985 14.319,986 8.576,987 25.756,988 12.823,989 2.615,990 8.779,991 23.329,992 3.23,993 14.138,994 15.705,995 9.305,996 28.025,997 13.897,998 2.407,999 7.68,1000 25.143,1001 3.22,1002 15.17,1003 16.72,1004 9.913,1005 30.242,1006 14.908,1007 2.204,1008 6.786,1009 26.963,1010 2.793,1011 16.253,1012 18.076,1013 10.612,1014 32.499,1015 15.969,1016 2.081,1017 6.186,1018 28.787,1019 2.664,1020 17.307,1021 19.135,1022 11.244,1023 34.733,1024 17.002,1025 23298,1026 36189,1027 26.065,1028 55.813,1029 62.222,1030 64.35,1031 64.026,1032 61.468,1033 61.488,1034 69.905,1035 17.454,1036 167.576,1037 60.767,1038 5.11,1039 5.787,1040 6.179,1041 5.008,1042 4.998,1043 6.463,1044 3.449,1045 16.252,1046 4.93,1047 29.287,1048 1.481,1049 1.532,1050 1.524,1051 1.464,1052 1.464,1053 1.664,1054 0.416,1055 3.99,1056 1.447,1057 3.984,1058 4.033,1059 3.894,1060 3.886,1061 7.438,1062 3.88,1063 3.89,1064 3.938,1065 3.787,1066 3.784,1067 7.43,1068 3.773,1069 3.818,1070 3.868,1071 3.724,1072 3.667,1073 7.424,1074 3.671,1075 3.803,1076 3.854,1077 3.698,1078 3.638,1079 7.424,1080 3.644,1081 3.67,1082 3.729,1083 3.552,1084 3.5,1085 6.449,1086 3.502,1087 3.491,1088 3.546,1089 3.383,1090 3.27,1091 4.753,1092 3.281,1093 3.488,1094 3.546,1095 3.352,1096 3.268,1097 4.381,1098 3.279,1099 3.459,1100 3.539,1101 3.304,1102 3.233,1103 4.282,1104 3.243,1105 0.098,1106 0.09,1107 0.152,1108 0.095,1109 0.071,1110 4.11,1111 0.082,1112 3.787,1113 0.047,1114 6.378,1115 0.229,1116 3.976,1117 0.07,1118 2.998,1119 3.463,1120 1.97,1121 9.625,1122 2.93,1123 1.931,1124 1.9,1125 2.116,1126 2.062,1127 1.516,1128 2.077,1129 1.894,1130 1.84,1131 2.063,1132 2.023,1133 1.315,1134 2.04,1135 1.775,1136 1.725,1137 1.981,1138 1.964,1139 1.244,1140 1.968,1141 1.766,1142 1.714,1143 1.979,1144 1.955,1145 1.235,1146 1.962,1147 1.637,1148 1.582,1149 1.845,1150 1.841,1151 1.073,1152 1.847,1153 1.442,1154 1.381,1155 1.717,1156 1.695,1157 0.953,1158 1.705,1159 1.44,1160 1.381,1161 1.716,1162 1.694,1163 0.825,1164 1.704,1165 1.405,1166 1.331,1167 1.656,1168 1.668,1169 0.74,1170 1.663,1171 4.443,1173 5.733,1175 7.186,1177 8.715,1179 10.285,1180 10.192,1184 11.563,1185 6.531,1186 11.395,1189 -3.108,1190 1.748,1192 51.797,1193 134.075,1194 298.169,1195 435.79,1196 473.374,1197 487.638,1198 497.638,1199 217.772,1200 7.144,1201 139.87,1202 139.87,1203 12,1204 12.529,1205 3.459,1206 3,1207 114.225,1208 191,1209 176,1210 0.278,1211 326.807,1212 589.71,1213 789.169,1214 10232,1216 30.526,1217 0.745,1218 0.625,1219 30.526,1220 25.612,1221 19.366,1222 0.461,1223 0.357,1224 14.818,1225 18.66,1226 14.252,1227 12.017,1228 19.366,1229 14.989,1230 17.819,1231 0.318,1232 0.216,1233 17.819,1234 12.102,1235 12.303,1236 0.192,1237 0.119,1238 12.303,1239 7.585,1240 10.078,1241 0.129,1242 0.069,1243 10.078,1244 5.357,1245 7.763,1246 0.088,1247 0.042,1248 7.763,1249 3.699,1250 0.431,1251 121.328,1252 0.196,1253 36.185,1254 0.78,1255 196,1256 552.068,1257 217.258,1258 524.84,1259 679.07,1260 484,1261 218,1262 464.185,1263 238.238,1264 466.592,1265 665.52,1266 436,1267 5.699}